| 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 | 50.7 | Low | 80.5 | Confident | 214 Ų | 214 | 111.8 Ų | 111.8 | 100% | 1.054 | 63% | 0.628 | S | S | * | * | 0 | -25 | 0 | -93.3 | 169.3 | 63.1 | 0 | 0 | 111.7 | D3 R4 | M1-D3 PolarHBondContact O-N 3.42Å; M1-R4 PolarHBondContact O-N 3.03Å | |||
| 2 | V | 56.2 | Low | 81.7 | Confident | 127 Ų | 127 | 109.8 Ų | 109.8 | 77% | 0.77 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -47.9 | -49.9 | 178.3 | -172.4 | 0 | 0 | 0 | 0 | 113.4 | R4 G5 | V2-R4 PolarHBondContact O-N 3.44Å; V2-G5 PolarHBondContact O-N 3.26Å |
| 3 | D | 62.8 | Low | 82.9 | Confident | 146 Ų | 146 | 109.7 Ų | 109.7 | 78% | 0.781 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -63.2 | -3.3 | -173 | -20.2 | -48.4 | 0 | 0 | 0 | 116.4 | M1 | M1-D3 PolarHBondContact O-N 3.42Š|
| 4 | R | 73.4 | Confident | 83.9 | Confident | 166 Ų | 166 | 111.9 Ų | 111.9 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -100 | -13.7 | 176 | -68.5 | -169.3 | -177.4 | -175.2 | 0.5 | 114.2 | M1 V2 L8 | M1-R4 PolarHBondContact O-N 3.03Å; V2-R4 PolarHBondContact O-N 3.44Å; R4-L8 PolarHBondContact O-N 3.33Å |
| 5 | G | 82.7 | Confident | 84.8 | Confident | 36 Ų | 36 | 116.5 Ų | 116.5 | 37% | 0.371 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -58 | -59.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V2 L7 L8 T9 | V2-G5 PolarHBondContact O-N 3.26Å; G5-L7 VanDerWaalsContact C-N 3.28Å; G5-L7 PolarHBondContact O-N 3.01Å; G5-L8 PolarHBondContact O-N 2.9Å; G5-T9 PolarHBondContact O-N 2.73Å; G5-T9 PolarHBondContact O-OG1 3.21Å |
| 6 | P | 91.3 | Very high | 85.6 | Confident | 98 Ų | 98 | 116.2 Ų | 116.2 | 64% | 0.636 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -57.2 | -37.6 | -176.6 | -27.4 | 35.8 | 0 | 0 | 0 | 114.2 | T9 S10 | P6-T9 PolarHBondContact O-N 3.45Å; P6-S10 PolarHBondContact O-N 2.94Å; P6-S10 PolarHBondContact O-OG 3.08Å |
| 7 | L | 92.3 | Very high | 86.3 | Confident | 129 Ų | 129 | 112.7 Ų | 112.7 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.3 | -28.9 | 179.1 | -174.4 | 145 | 0 | 0 | 0 | 113 | G5 S10 A11 | G5-L7 VanDerWaalsContact C-N 3.28Å; G5-L7 PolarHBondContact O-N 3.01Å; L7-S10 PolarHBondContact O-OG 2.84Å; L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.38Å |
| 8 | L | 92.1 | Very high | 87 | Confident | 112 Ų | 112 | 110.8 Ų | 110.8 | 59% | 0.586 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.7 | -42.8 | 171.5 | -175.2 | 66.1 | 0 | 0 | 0 | 110.5 | R4 G5 A11 I12 | R4-L8 PolarHBondContact O-N 3.33Å; G5-L8 PolarHBondContact O-N 2.9Å; L8-A11 PolarHBondContact O-N 3.37Å; L8-I12 HydrophobicContact CD1-CD1 4.46Å; L8-I12 HydrophobicContact CG-CD1 4.05Å; L8-I12 WeakPolarHBondContact O-CG1 3.36Å; L8-I12 PolarHBondContact O-N 3.32Å |
| 9 | T | 93.8 | Very high | 87.6 | Confident | 81 Ų | 81 | 106.1 Ų | 106.1 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.5 | -46.4 | 177.5 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | G5 P6 A11 I12 I13 | G5-T9 PolarHBondContact O-N 2.73Å; G5-T9 PolarHBondContact O-OG1 3.21Å; P6-T9 PolarHBondContact O-N 3.45Å; T9-A11 VanDerWaalsContact C-N 3.33Å; T9-A11 PolarHBondContact O-N 2.84Å; T9-I12 PolarHBondContact O-N 3.34Å; T9-I13 HydrophobicContact CG2-CD1 4.01Å; T9-I13 WeakPolarHBondContact O-CG1 3.46Å; T9-I13 PolarHBondContact O-N 3.24Å |
| 10 | S | 94.9 | Very high | 88.1 | Confident | 69 Ų | 69 | 103.6 Ų | 103.6 | 48% | 0.483 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64 | -37.1 | 177.6 | 63.8 | 0 | 0 | 0 | 0 | 112.7 | P6 L7 I13 F14 | P6-S10 PolarHBondContact O-N 2.94Å; P6-S10 PolarHBondContact O-OG 3.08Å; L7-S10 PolarHBondContact O-OG 2.84Å; S10-I13 PolarHBondContact O-N 2.95Å; S10-F14 WeakPolarHBondContact O-CB 3.34Å; S10-F14 PolarHBondContact O-N 3.49Å |
| 11 | A | 95.4 | Very high | 88.6 | Confident | 52 Ų | 52 | 101.2 Ų | 101.2 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.6 | -36.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L7 L8 T9 Y15 | L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.38Å; L8-A11 PolarHBondContact O-N 3.37Å; T9-A11 VanDerWaalsContact C-N 3.33Å; T9-A11 PolarHBondContact O-N 2.84Å; A11-Y15 WeakPolarHBondContact O-CB 3.37Å; A11-Y15 PolarHBondContact O-N 3.05Å |
| 12 | I | 95.2 | Very high | 90.8 | Very high | 88 Ų | 88 | 95.1 Ų | 95.1 | 45% | 0.451 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.4 | -45.6 | 175 | -69.5 | 167 | 0 | 0 | 0 | 110.7 | L8 T9 F14 Y15 L16 | L8-I12 HydrophobicContact CD1-CD1 4.46Å; L8-I12 HydrophobicContact CG-CD1 4.05Å; L8-I12 WeakPolarHBondContact O-CG1 3.36Å; L8-I12 PolarHBondContact O-N 3.32Å; T9-I12 PolarHBondContact O-N 3.34Å; I12-F14 VanDerWaalsContact C-N 3.29Å; I12-F14 PolarHBondContact O-N 2.93Å; I12-Y15 WeakPolarHBondContact O-CB 3.42Å; I12-Y15 PolarHBondContact O-N 3.04Å; I12-Y15 VanDerWaalsContact O-N 3.15Å; I12-L16 HydrophobicContact CG2-CD1 4.04Å; I12-L16 HydrophobicContact CG2-CG 4.36Å; I12-L16 WeakPolarHBondContact O-CG 3.34Å; I12-L16 PolarHBondContact O-N 3.4Å |
| 13 | I | 97 | Very high | 92.8 | Very high | 108 Ų | 108 | 95.7 Ų | 95.7 | 55% | 0.554 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.6 | -44.5 | 176.1 | -68.7 | 167.9 | 0 | 0 | 0 | 110.3 | T9 S10 L16 A17 | T9-I13 HydrophobicContact CG2-CD1 4.01Å; T9-I13 WeakPolarHBondContact O-CG1 3.46Å; T9-I13 PolarHBondContact O-N 3.24Å; S10-I13 PolarHBondContact O-N 2.95Å; I13-L16 PolarHBondContact O-N 3.43Å; I13-A17 WeakPolarHBondContact O-CB 3.4Å; I13-A17 PolarHBondContact O-N 3.11Å |
| 14 | F | 97.3 | Very high | 94.5 | Very high | 140 Ų | 140 | 94.5 Ų | 94.5 | 61% | 0.614 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.8 | -39.4 | 176.6 | -174.6 | -112.9 | 0 | 0 | 0 | 113 | S10 I12 A17 I18 | S10-F14 WeakPolarHBondContact O-CB 3.34Å; S10-F14 PolarHBondContact O-N 3.49Å; I12-F14 VanDerWaalsContact C-N 3.29Å; I12-F14 PolarHBondContact O-N 2.93Å; F14-A17 PolarHBondContact O-N 2.84Å; F14-I18 HydrophobicContact CD1-CD1 3.86Å; F14-I18 HydrophobicContact CE1-CD1 3.37Å; F14-I18 HydrophobicContact CE1-CG1 4.45Å; F14-I18 HydrophobicContact CE2-CD1 4.14Å; F14-I18 HydrophobicContact CE2-CG1 4.47Å; F14-I18 HydrophobicContact CG-CD1 4.44Å; F14-I18 HydrophobicContact CZ-CD1 3.54Å; F14-I18 HydrophobicContact CZ-CG1 4.32Å; F14-I18 WeakPolarHBondContact O-CG1 3.42Å; F14-I18 PolarHBondContact O-N 3.4Å |
| 15 | Y | 97.1 | Very high | 95.7 | Very high | 182 Ų | 182 | 91.6 Ų | 91.6 | 71% | 0.714 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.2 | -41.9 | 174.5 | -176 | -91.5 | 0 | 0 | 0 | 112 | A11 I12 G19 | A11-Y15 WeakPolarHBondContact O-CB 3.37Å; A11-Y15 PolarHBondContact O-N 3.05Å; I12-Y15 WeakPolarHBondContact O-CB 3.42Å; I12-Y15 PolarHBondContact O-N 3.04Å; I12-Y15 VanDerWaalsContact O-N 3.15Å; Y15-G19 PolarHBondContact O-N 2.95Å |
| 16 | L | 97.9 | Very high | 96.4 | Very high | 111 Ų | 111 | 95 Ų | 95 | 58% | 0.581 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.1 | -40.9 | 175.3 | -68.1 | 173 | 0 | 0 | 0 | 111.9 | I12 I13 G19 A20 | I12-L16 HydrophobicContact CG2-CD1 4.04Å; I12-L16 HydrophobicContact CG2-CG 4.36Å; I12-L16 WeakPolarHBondContact O-CG 3.34Å; I12-L16 PolarHBondContact O-N 3.4Å; I13-L16 PolarHBondContact O-N 3.43Å; L16-G19 PolarHBondContact O-N 2.87Å; L16-A20 WeakPolarHBondContact O-CB 3.39Å; L16-A20 PolarHBondContact O-N 2.7Å |
| 17 | A | 98.1 | Very high | 96.7 | Very high | 57 Ų | 57 | 95.5 Ų | 95.5 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I13 F14 A20 A21 | I13-A17 WeakPolarHBondContact O-CB 3.4Å; I13-A17 PolarHBondContact O-N 3.11Å; F14-A17 PolarHBondContact O-N 2.84Å; A17-A20 PolarHBondContact O-N 3.19Å; A17-A21 PolarHBondContact O-N 2.74Å; A17-A21 VanDerWaalsContact O-N 3.08Å |
| 18 | I | 98.2 | Very high | 96.9 | Very high | 78 Ų | 78 | 92.9 Ų | 92.9 | 40% | 0.4 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 172.2 | -70.5 | 170.8 | 0 | 0 | 0 | 110.7 | F14 A20 A21 I22 | F14-I18 HydrophobicContact CD1-CD1 3.86Å; F14-I18 HydrophobicContact CE1-CD1 3.37Å; F14-I18 HydrophobicContact CE1-CG1 4.45Å; F14-I18 HydrophobicContact CE2-CD1 4.14Å; F14-I18 HydrophobicContact CE2-CG1 4.47Å; F14-I18 HydrophobicContact CG-CD1 4.44Å; F14-I18 HydrophobicContact CZ-CD1 3.54Å; F14-I18 HydrophobicContact CZ-CG1 4.32Å; F14-I18 WeakPolarHBondContact O-CG1 3.42Å; F14-I18 PolarHBondContact O-N 3.4Å; I18-A20 PolarHBondContact O-N 2.94Å; I18-A21 PolarHBondContact O-N 3.35Å; I18-I22 HydrophobicContact CG2-CD1 3.6Å; I18-I22 HydrophobicContact CG2-CG1 4.31Å; I18-I22 WeakPolarHBondContact O-CB 3.49Å; I18-I22 VanDerWaalsContact O-CG1 3.31Å; I18-I22 WeakPolarHBondContact O-CG1 3.31Å; I18-I22 PolarHBondContact O-N 2.64Å |
| 19 | G | 97.8 | Very high | 97.2 | Very high | 21 Ų | 21 | 91 Ų | 91 | 22% | 0.216 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -57.3 | -48.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y15 L16 I22 F23 | Y15-G19 PolarHBondContact O-N 2.95Å; L16-G19 PolarHBondContact O-N 2.87Å; G19-I22 PolarHBondContact O-N 3.34Å; G19-F23 WeakPolarHBondContact O-CD2 3.4Å; G19-F23 PolarHBondContact O-N 2.63Å |
| 20 | A | 98.1 | Very high | 97.4 | Very high | 57 Ų | 57 | 92.8 Ų | 92.8 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59 | -50.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L16 A17 I18 I22 F23 E24 | L16-A20 WeakPolarHBondContact O-CB 3.39Å; L16-A20 PolarHBondContact O-N 2.7Å; A17-A20 PolarHBondContact O-N 3.19Å; I18-A20 PolarHBondContact O-N 2.94Å; A20-I22 VanDerWaalsContact C-N 3.28Å; A20-I22 PolarHBondContact O-N 2.94Å; A20-F23 PolarHBondContact O-N 3.22Å; A20-E24 WeakPolarHBondContact O-CB 3.45Å; A20-E24 PolarHBondContact O-N 3.36Å |
| 21 | A | 98.2 | Very high | 97.5 | Very high | 53 Ų | 53 | 96.4 Ų | 96.4 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -34 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | A17 I18 V25 | A17-A21 PolarHBondContact O-N 2.74Å; A17-A21 VanDerWaalsContact O-N 3.08Å; I18-A21 PolarHBondContact O-N 3.35Å; A21-V25 WeakPolarHBondContact O-CG1 3.11Å; A21-V25 PolarHBondContact O-N 3.01Å |
| 22 | I | 98.3 | Very high | 97.6 | Very high | 87 Ų | 87 | 98.9 Ų | 98.9 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.6 | -43.1 | 175.4 | -68.8 | 173.3 | 0 | 0 | 0 | 111.2 | I18 G19 A20 V25 L26 | I18-I22 HydrophobicContact CG2-CD1 3.6Å; I18-I22 HydrophobicContact CG2-CG1 4.31Å; I18-I22 WeakPolarHBondContact O-CB 3.49Å; I18-I22 VanDerWaalsContact O-CG1 3.31Å; I18-I22 WeakPolarHBondContact O-CG1 3.31Å; I18-I22 PolarHBondContact O-N 2.64Å; G19-I22 PolarHBondContact O-N 3.34Å; A20-I22 VanDerWaalsContact C-N 3.28Å; A20-I22 PolarHBondContact O-N 2.94Å; I22-V25 WeakPolarHBondContact O-CG1 3.39Å; I22-L26 HydrophobicContact CG2-CD1 3.72Å; I22-L26 HydrophobicContact CG2-CG 4.44Å; I22-L26 WeakPolarHBondContact O-CB 3.43Å; I22-L26 WeakPolarHBondContact O-CG 3.3Å; I22-L26 PolarHBondContact O-N 3.03Å |
| 23 | F | 98.1 | Very high | 97.7 | Very high | 139 Ų | 139 | 100.2 Ų | 100.2 | 61% | 0.61 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.2 | -38.6 | 176 | -75.6 | -58.1 | 0 | 0 | 0 | 112.2 | G19 A20 L26 E27 | G19-F23 WeakPolarHBondContact O-CD2 3.4Å; G19-F23 PolarHBondContact O-N 2.63Å; A20-F23 PolarHBondContact O-N 3.22Å; F23-L26 PolarHBondContact O-N 3.06Å; F23-E27 WeakPolarHBondContact O-CB 3.44Å; F23-E27 PolarHBondContact O-N 3Å |
| 24 | E | 98 | Very high | 97.7 | Very high | 121 Ų | 121 | 97.4 Ų | 97.4 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59 | -52.5 | 175.7 | -175.2 | 178.6 | -178 | 0 | 0 | 111.2 | A20 L26 E28 | A20-E24 WeakPolarHBondContact O-CB 3.45Å; A20-E24 PolarHBondContact O-N 3.36Å; E24-L26 VanDerWaalsContact C-N 3.27Å; E24-L26 PolarHBondContact O-N 3.28Å; E24-E28 HydrophobicContact CG-CB 4.46Å; E24-E28 WeakPolarHBondContact O-CB 3.41Å; E24-E28 PolarHBondContact O-N 3.17Å |
| 25 | V | 98.3 | Very high | 97.7 | Very high | 104 Ų | 104 | 95 Ų | 95 | 63% | 0.63 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.2 | -24.5 | -178.4 | 75 | 0 | 0 | 0 | 0 | 113.8 | A21 I22 | A21-V25 WeakPolarHBondContact O-CG1 3.11Å; A21-V25 PolarHBondContact O-N 3.01Å; I22-V25 WeakPolarHBondContact O-CG1 3.39Å |
| 26 | L | 97.1 | Very high | 97.8 | Very high | 107 Ų | 107 | 93.2 Ų | 93.2 | 56% | 0.56 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -86.4 | -46.1 | 178.9 | -68.7 | 175.6 | 0 | 0 | 0 | 112.9 | I22 F23 E24 | I22-L26 HydrophobicContact CG2-CD1 3.72Å; I22-L26 HydrophobicContact CG2-CG 4.44Å; I22-L26 WeakPolarHBondContact O-CB 3.43Å; I22-L26 WeakPolarHBondContact O-CG 3.3Å; I22-L26 PolarHBondContact O-N 3.03Å; F23-L26 PolarHBondContact O-N 3.06Å; E24-L26 VanDerWaalsContact C-N 3.27Å; E24-L26 PolarHBondContact O-N 3.28Å |
| 27 | E | 97.4 | Very high | 97.8 | Very high | 109 Ų | 109 | 91.3 Ų | 91.3 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -97.1 | -31.9 | -169.8 | -59.7 | -59.2 | 150.2 | 0 | 0 | 113.5 | F23 H30 W31 | F23-E27 WeakPolarHBondContact O-CB 3.44Å; F23-E27 PolarHBondContact O-N 3Å; E27-H30 PolarHBondContact O-N 3.16Å; E27-W31 WeakPolarHBondContact O-CB 3.01Å; E27-W31 PolarHBondContact O-N 3.37Å |
| 28 | E | 97.6 | Very high | 97.7 | Very high | 75 Ų | 75 | 93.9 Ų | 93.9 | 35% | 0.35 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | -175.4 | -157.7 | -144.1 | -170 | 0 | 0 | 113.6 | E24 W31 K32 | E24-E28 HydrophobicContact CG-CB 4.46Å; E24-E28 WeakPolarHBondContact O-CB 3.41Å; E24-E28 PolarHBondContact O-N 3.17Å; E28-W31 PolarHBondContact O-N 3.09Å; E28-K32 HydrophobicContact CG-CD 4.39Å; E28-K32 WeakPolarHBondContact O-CB 3.48Å; E28-K32 VanDerWaalsContact O-CG 3.31Å; E28-K32 WeakPolarHBondContact O-CG 3.5Å; E28-K32 PolarHBondContact O-N 3.1Å; E28-K32 WeakPolarHBondContact OE1-CE 3.48Å; E28-K32 IonicContact OE1-NZ 2.7Å; E28-K32 PolarHBondContact OE1-NZ 3.24Å; E28-K32 WeakPolarHBondContact OE2-CE 3.46Å; E28-K32 IonicContact OE2-NZ 2.63Å; E28-K32 PolarHBondContact OE2-NZ 3.35Å |
| 29 | P | 98.2 | Very high | 97.5 | Very high | 71 Ų | 71 | 95.7 Ų | 95.7 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.4 | -22.7 | 34.5 | 0 | 0 | 0 | 112.4 | K32 E33 | P29-K32 PolarHBondContact O-N 3.14Å; P29-E33 PolarHBondContact O-N 3.37Å |
| 30 | H | 96.9 | Very high | 97.5 | Very high | 119 Ų | 119 | 98.4 Ų | 98.4 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.4 | -40.1 | 179 | 179.5 | -117.9 | 0 | 0 | 0 | 111.5 | E27 E33 A34 | E27-H30 PolarHBondContact O-N 3.16Å; H30-E33 PolarHBondContact O-N 3.1Å; H30-A34 WeakPolarHBondContact O-CB 3.48Å; H30-A34 PolarHBondContact O-N 3.37Å |
| 31 | W | 97.7 | Very high | 97.4 | Very high | 146 Ų | 146 | 101.8 Ų | 101.8 | 55% | 0.553 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.4 | -41.9 | 173.7 | 179.5 | 86 | 0 | 0 | 0 | 112.5 | E27 E28 E33 A34 K35 | E27-W31 WeakPolarHBondContact O-CB 3.01Å; E27-W31 PolarHBondContact O-N 3.37Å; E28-W31 PolarHBondContact O-N 3.09Å; W31-E33 VanDerWaalsContact C-N 3.33Å; W31-E33 PolarHBondContact O-N 3.24Å; W31-A34 PolarHBondContact O-N 2.92Å; W31-K35 HydrophobicContact CH2-CD 3.64Å; W31-K35 HydrophobicContact CZ2-CD 3.9Å; W31-K35 HydrophobicContact CZ3-CD 3.99Å; W31-K35 WeakPolarHBondContact O-CB 3.43Å; W31-K35 PolarHBondContact O-N 3.47Å |
| 32 | K | 97.8 | Very high | 97.2 | Very high | 104 Ų | 104 | 101 Ų | 101 | 45% | 0.452 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 174.5 | -78.5 | 169.6 | 175.3 | 165.2 | 0 | 111.5 | E28 P29 K36 | E28-K32 HydrophobicContact CG-CD 4.39Å; E28-K32 WeakPolarHBondContact O-CB 3.48Å; E28-K32 VanDerWaalsContact O-CG 3.31Å; E28-K32 WeakPolarHBondContact O-CG 3.5Å; E28-K32 PolarHBondContact O-N 3.1Å; E28-K32 WeakPolarHBondContact OE1-CE 3.48Å; E28-K32 IonicContact OE1-NZ 2.7Å; E28-K32 PolarHBondContact OE1-NZ 3.24Å; E28-K32 WeakPolarHBondContact OE2-CE 3.46Å; E28-K32 IonicContact OE2-NZ 2.63Å; E28-K32 PolarHBondContact OE2-NZ 3.35Å; P29-K32 PolarHBondContact O-N 3.14Å; K32-K36 WeakPolarHBondContact O-CB 3.45Å; K32-K36 PolarHBondContact O-N 3.18Å |
| 33 | E | 97.8 | Very high | 97 | Very high | 116 Ų | 116 | 101.7 Ų | 101.7 | 54% | 0.542 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.4 | -49.6 | 175.5 | -176.3 | 172.5 | -176 | 0 | 0 | 112.2 | P29 H30 W31 K35 K36 N37 | P29-E33 PolarHBondContact O-N 3.37Å; H30-E33 PolarHBondContact O-N 3.1Å; W31-E33 VanDerWaalsContact C-N 3.33Å; W31-E33 PolarHBondContact O-N 3.24Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 3.28Å; E33-K36 WeakPolarHBondContact O-CB 3.36Å; E33-K36 PolarHBondContact O-N 3.03Å; E33-K36 VanDerWaalsContact O-N 3.1Å; E33-N37 WeakPolarHBondContact O-CB 3.21Å; E33-N37 VanDerWaalsContact O-CG 3.31Å; E33-N37 PolarHBondContact O-N 3.31Å |
| 34 | A | 96.9 | Very high | 96.9 | Very high | 48 Ų | 48 | 100.5 Ų | 100.5 | 40% | 0.397 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.6 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | H30 W31 N37 Y38 | H30-A34 WeakPolarHBondContact O-CB 3.48Å; H30-A34 PolarHBondContact O-N 3.37Å; W31-A34 PolarHBondContact O-N 2.92Å; A34-N37 PolarHBondContact O-N 2.88Å; A34-Y38 WeakPolarHBondContact O-CB 3.42Å; A34-Y38 PolarHBondContact O-N 3.44Å |
| 35 | K | 96.9 | Very high | 96.8 | Very high | 89 Ų | 89 | 98.3 Ų | 98.3 | 39% | 0.387 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 174 | 179 | 172 | 178.1 | 176.4 | 0 | 111.9 | W31 E33 Y38 Y39 | W31-K35 HydrophobicContact CH2-CD 3.64Å; W31-K35 HydrophobicContact CZ2-CD 3.9Å; W31-K35 HydrophobicContact CZ3-CD 3.99Å; W31-K35 WeakPolarHBondContact O-CB 3.43Å; W31-K35 PolarHBondContact O-N 3.47Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 3.28Å; K35-Y38 PolarHBondContact O-N 3.02Å; K35-Y39 HydrophobicContact CD-CE2 4.23Å; K35-Y39 HydrophobicContact CG-CD2 4.01Å; K35-Y39 HydrophobicContact CG-CE2 3.57Å; K35-Y39 WeakPolarHBondContact O-CD2 3.37Å; K35-Y39 PolarHBondContact O-N 3.42Å; K35-Y39 VanDerWaalsContact O-N 3.11Å |
| 36 | K | 97.7 | Very high | 96.6 | Very high | 145 Ų | 145 | 94.9 Ų | 94.9 | 63% | 0.63 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | 175.5 | -178.5 | -175.7 | 174.9 | -173.7 | 0 | 111.7 | K32 E33 Y39 T40 | K32-K36 WeakPolarHBondContact O-CB 3.45Å; K32-K36 PolarHBondContact O-N 3.18Å; E33-K36 WeakPolarHBondContact O-CB 3.36Å; E33-K36 PolarHBondContact O-N 3.03Å; E33-K36 VanDerWaalsContact O-N 3.1Å; K36-Y39 PolarHBondContact O-N 2.85Å; K36-T40 WeakPolarHBondContact O-CB 3.42Å; K36-T40 PolarHBondContact O-N 3.47Å; K36-T40 PolarHBondContact O-OG1 3.5Å |
| 37 | N | 97.8 | Very high | 96.5 | Very high | 72 Ų | 72 | 97.9 Ų | 97.9 | 39% | 0.385 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 178.5 | -70.3 | -16.6 | 0 | 0 | 0 | 111 | E33 A34 T40 Q41 | E33-N37 WeakPolarHBondContact O-CB 3.21Å; E33-N37 VanDerWaalsContact O-CG 3.31Å; E33-N37 PolarHBondContact O-N 3.31Å; A34-N37 PolarHBondContact O-N 2.88Å; N37-T40 PolarHBondContact O-N 2.86Å; N37-Q41 WeakPolarHBondContact O-CG 3.03Å; N37-Q41 PolarHBondContact O-N 3.05Å |
| 38 | Y | 95.9 | Very high | 96.5 | Very high | 111 Ų | 111 | 97.7 Ų | 97.7 | 44% | 0.435 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.8 | -50.8 | 173.1 | 171.4 | -101.4 | 0 | 0 | 0 | 112.6 | A34 K35 T40 Q41 K42 | A34-Y38 WeakPolarHBondContact O-CB 3.42Å; A34-Y38 PolarHBondContact O-N 3.44Å; K35-Y38 PolarHBondContact O-N 3.02Å; Y38-T40 VanDerWaalsContact C-N 3.31Å; Y38-T40 PolarHBondContact O-N 3.43Å; Y38-Q41 PolarHBondContact O-N 2.92Å; Y38-K42 WeakPolarHBondContact O-CB 3.34Å; Y38-K42 PolarHBondContact O-N 2.91Å |
| 39 | Y | 95.9 | Very high | 96.4 | Very high | 116 Ų | 116 | 98.6 Ų | 98.6 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | 176.6 | -72.5 | -63.4 | 0 | 0 | 0 | 112.9 | K35 K36 K42 L43 | K35-Y39 HydrophobicContact CD-CE2 4.23Å; K35-Y39 HydrophobicContact CG-CD2 4.01Å; K35-Y39 HydrophobicContact CG-CE2 3.57Å; K35-Y39 WeakPolarHBondContact O-CD2 3.37Å; K35-Y39 PolarHBondContact O-N 3.42Å; K35-Y39 VanDerWaalsContact O-N 3.11Å; K36-Y39 PolarHBondContact O-N 2.85Å; Y39-K42 PolarHBondContact O-N 2.89Å; Y39-L43 WeakPolarHBondContact O-CB 3.48Å; Y39-L43 WeakPolarHBondContact O-CG 3.49Å; Y39-L43 PolarHBondContact O-N 3.22Å |
| 40 | T | 96.8 | Very high | 96 | Very high | 78 Ų | 78 | 100.6 Ų | 100.6 | 48% | 0.479 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 178.1 | -54.3 | 0 | 0 | 0 | 0 | 111 | K36 N37 Y38 L43 H44 | K36-T40 WeakPolarHBondContact O-CB 3.42Å; K36-T40 PolarHBondContact O-N 3.47Å; K36-T40 PolarHBondContact O-OG1 3.5Å; N37-T40 PolarHBondContact O-N 2.86Å; Y38-T40 VanDerWaalsContact C-N 3.31Å; Y38-T40 PolarHBondContact O-N 3.43Å; T40-L43 PolarHBondContact O-N 2.95Å; T40-H44 PolarHBondContact O-N 3.25Å |
| 41 | Q | 95.8 | Very high | 95.9 | Very high | 128 Ų | 128 | 100.9 Ų | 100.9 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67 | -41.4 | 174 | -69.9 | 174.4 | 13.7 | 0 | 0 | 112 | N37 Y38 L43 H44 L45 | N37-Q41 WeakPolarHBondContact O-CG 3.03Å; N37-Q41 PolarHBondContact O-N 3.05Å; Y38-Q41 PolarHBondContact O-N 2.92Å; Q41-L43 VanDerWaalsContact C-N 3.31Å; Q41-L43 PolarHBondContact O-N 2.87Å; Q41-H44 WeakPolarHBondContact O-CB 3.21Å; Q41-H44 PolarHBondContact O-N 3Å; Q41-H44 VanDerWaalsContact O-N 3.08Å; Q41-L45 WeakPolarHBondContact O-CG 3.45Å; Q41-L45 PolarHBondContact O-N 3.32Å |
| 42 | K | 94.4 | Very high | 95.6 | Very high | 36 Ų | 36 | 95.9 Ų | 95.9 | 16% | 0.157 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -56.7 | -45 | 174.3 | -165.5 | -175.9 | -178.1 | -177.6 | 0 | 111.4 | Y38 Y39 L45 L46 L57 D58 | Y38-K42 WeakPolarHBondContact O-CB 3.34Å; Y38-K42 PolarHBondContact O-N 2.91Å; Y39-K42 PolarHBondContact O-N 2.89Å; K42-L45 PolarHBondContact O-N 3.11Å; K42-L46 WeakPolarHBondContact O-CG 3.34Å; K42-L46 PolarHBondContact O-N 3.36Å; K42-L57 HydrophobicContact CD-CD2 4.45Å; K42-L57 HydrophobicContact CG-CD2 3.61Å; K42-D58 WeakPolarHBondContact CE-OD1 3.31Å; K42-D58 IonicContact NZ-OD1 2.64Å; K42-D58 PolarHBondContact NZ-OD1 3.3Å |
| 43 | L | 94.2 | Very high | 95.3 | Very high | 101 Ų | 101 | 93 Ų | 93 | 53% | 0.529 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.2 | -31.2 | 175.4 | -71.6 | 168.7 | 0 | 0 | 0 | 113.1 | Y39 T40 Q41 K47 | Y39-L43 WeakPolarHBondContact O-CB 3.48Å; Y39-L43 WeakPolarHBondContact O-CG 3.49Å; Y39-L43 PolarHBondContact O-N 3.22Å; T40-L43 PolarHBondContact O-N 2.95Å; Q41-L43 VanDerWaalsContact C-N 3.31Å; Q41-L43 PolarHBondContact O-N 2.87Å; L43-K47 WeakPolarHBondContact O-CG 3.33Å; L43-K47 PolarHBondContact O-N 3.26Å |
| 44 | H | 96.1 | Very high | 95.1 | Very high | 115 Ų | 115 | 91.7 Ų | 91.7 | 53% | 0.532 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.8 | -48.7 | 173.2 | -168.3 | -83.5 | 0 | 0 | 0 | 111 | T40 Q41 L46 K47 E48 | T40-H44 PolarHBondContact O-N 3.25Å; Q41-H44 WeakPolarHBondContact O-CB 3.21Å; Q41-H44 PolarHBondContact O-N 3Å; Q41-H44 VanDerWaalsContact O-N 3.08Å; H44-L46 VanDerWaalsContact C-N 3.31Å; H44-L46 PolarHBondContact O-N 3.19Å; H44-K47 WeakPolarHBondContact O-CB 3.31Å; H44-K47 PolarHBondContact O-N 3.38Å; H44-E48 IonicContact CE1-OE2 3.21Å; H44-E48 PolarHBondContact CE1-OE2 3.04Å; H44-E48 IonicContact ND1-OE2 3.01Å; H44-E48 PolarHBondContact ND1-OE2 3.02Å; H44-E48 WeakPolarHBondContact O-CB 3.48Å; H44-E48 PolarHBondContact O-N 3.39Å |
| 45 | L | 95.7 | Very high | 94.9 | Very high | 74 Ų | 74 | 97.4 Ų | 97.4 | 39% | 0.387 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.1 | -41.5 | 178.8 | -69 | 169.3 | 0 | 0 | 0 | 112.3 | Q41 K42 K47 E48 F49 | Q41-L45 WeakPolarHBondContact O-CG 3.45Å; Q41-L45 PolarHBondContact O-N 3.32Å; K42-L45 PolarHBondContact O-N 3.11Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 3.09Å; L45-E48 PolarHBondContact O-N 3.34Å; L45-F49 HydrophobicContact CD2-CD2 4.45Å; L45-F49 HydrophobicContact CD2-CE2 4.12Å; L45-F49 WeakPolarHBondContact O-CD2 3.41Å; L45-F49 PolarHBondContact O-N 3.29Å |
| 46 | L | 94.8 | Very high | 94.8 | Very high | 32 Ų | 32 | 94.7 Ų | 94.7 | 17% | 0.168 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -66.6 | -28.5 | 176.2 | -68.1 | 165.4 | 0 | 0 | 0 | 113.4 | K42 H44 L52 L57 | K42-L46 WeakPolarHBondContact O-CG 3.34Å; K42-L46 PolarHBondContact O-N 3.36Å; H44-L46 VanDerWaalsContact C-N 3.31Å; H44-L46 PolarHBondContact O-N 3.19Å; L46-L52 VanDerWaalsContact CD2-O 3.3Å; L46-L52 WeakPolarHBondContact CD2-O 3.34Å; L46-L57 HydrophobicContact CD1-CD2 4.07Å; L46-L57 HydrophobicContact CD2-CB 4.01Å; L46-L57 HydrophobicContact CD2-CD2 3.68Å; L46-L57 HydrophobicContact CG-CD2 3.65Å |
| 47 | K | 94.6 | Very high | 94.7 | Very high | 170 Ų | 170 | 88.4 Ų | 88.4 | 74% | 0.739 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -80.7 | -36.5 | 174.4 | -72.5 | 175.4 | 178.7 | -176.2 | 0 | 112.4 | L43 H44 L45 | L43-K47 WeakPolarHBondContact O-CG 3.33Å; L43-K47 PolarHBondContact O-N 3.26Å; H44-K47 WeakPolarHBondContact O-CB 3.31Å; H44-K47 PolarHBondContact O-N 3.38Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 3.09Å |
| 48 | E | 96.6 | Very high | 94.5 | Very high | 105 Ų | 105 | 88 Ų | 88 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72.5 | -33.2 | -179.9 | -171.7 | 174.4 | 173 | 0 | 0 | 112 | H44 L45 P50 | H44-E48 IonicContact CE1-OE2 3.21Å; H44-E48 PolarHBondContact CE1-OE2 3.04Å; H44-E48 IonicContact ND1-OE2 3.01Å; H44-E48 PolarHBondContact ND1-OE2 3.02Å; H44-E48 WeakPolarHBondContact O-CB 3.48Å; H44-E48 PolarHBondContact O-N 3.39Å; L45-E48 PolarHBondContact O-N 3.34Å; E48-P50 WeakPolarHBondContact O-CD 3.11Å |
| 49 | F | 95.5 | Very high | 94.5 | Very high | 94 Ų | 94 | 89.5 Ų | 89.5 | 41% | 0.412 | 47% | 0.465 | S | S | . | . | trans | -119.6 | 78.9 | 177.3 | -56.7 | -71.5 | 0 | 0 | 0 | 111.6 | L45 C51 L52 | L45-F49 HydrophobicContact CD2-CD2 4.45Å; L45-F49 HydrophobicContact CD2-CE2 4.12Å; L45-F49 WeakPolarHBondContact O-CD2 3.41Å; L45-F49 PolarHBondContact O-N 3.29Å; F49-C51 PolarHBondContact O-N 3.24Å; F49-L52 HydrophobicContact CB-CB 3.97Å; F49-L52 WeakPolarHBondContact O-CA 3.23Å; F49-L52 WeakPolarHBondContact O-CB 3.29Å; F49-L52 PolarHBondContact O-N 2.86Å | ||
| 50 | P | 91.1 | Very high | 94.4 | Very high | 114 Ų | 114 | 88.1 Ų | 88.1 | 74% | 0.74 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.5 | 179.5 | -25 | 34.7 | 0 | 0 | 0 | 115.1 | E48 L52 | E48-P50 WeakPolarHBondContact O-CD 3.11Å; P50-L52 VanDerWaalsContact C-N 3.3Å |
| 51 | C | 93.8 | Very high | 94.3 | Very high | 124 Ų | 124 | 87.1 Ų | 87.1 | 84% | 0.838 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -16.6 | 172.2 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | F49 | F49-C51 PolarHBondContact O-N 3.24Š|
| 52 | L | 92.4 | Very high | 94.2 | Very high | 41 Ų | 41 | 86.7 Ų | 86.7 | 22% | 0.215 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -95.6 | 92.5 | 176.2 | -176.6 | 63.8 | 0 | 0 | 0 | 109.3 | L46 F49 P50 L57 I60 | L46-L52 VanDerWaalsContact CD2-O 3.3Å; L46-L52 WeakPolarHBondContact CD2-O 3.34Å; F49-L52 HydrophobicContact CB-CB 3.97Å; F49-L52 WeakPolarHBondContact O-CA 3.23Å; F49-L52 WeakPolarHBondContact O-CB 3.29Å; F49-L52 PolarHBondContact O-N 2.86Å; P50-L52 VanDerWaalsContact C-N 3.3Å; L52-L57 HydrophobicContact CD2-CB 4.18Å; L52-L57 HydrophobicContact CD2-CD1 4.16Å; L52-L57 HydrophobicContact CG-CB 4.18Å; L52-I60 HydrophobicContact CD1-CD1 3.77Å; L52-I60 HydrophobicContact CD2-CD1 4.43Å |
| 53 | G | 91.4 | Very high | 94.2 | Very high | 44 Ų | 44 | 89.4 Ų | 89.4 | 45% | 0.454 | 47% | 0.473 | S | S | . | . | trans | -65.2 | 164.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E55 G56 L57 | G53-E55 PolarHBondContact O-N 2.91Å; G53-G56 WeakPolarHBondContact O-CA 3.44Å; G53-G56 PolarHBondContact O-N 3.4Å; G53-L57 PolarHBondContact O-N 3.19Å | ||
| 54 | Q | 92.1 | Very high | 94.2 | Very high | 88 Ų | 88 | 87.2 Ų | 87.2 | 41% | 0.411 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -51.7 | -50.3 | -179.8 | -179 | 58.5 | 51.8 | 0 | 0 | 112.5 | G56 L57 D58 | Q54-G56 VanDerWaalsContact C-N 3.29Å; Q54-G56 PolarHBondContact O-N 3.39Å; Q54-L57 PolarHBondContact O-N 3.29Å; Q54-D58 VanDerWaalsContact NE2-CG 3.28Å; Q54-D58 PolarHBondContact NE2-OD1 2.99Å; Q54-D58 PolarHBondContact NE2-OD2 3.32Å; Q54-D58 PolarHBondContact O-N 3.32Å |
| 55 | E | 93.5 | Very high | 93.9 | Very high | 168 Ų | 168 | 85.4 Ų | 85.4 | 79% | 0.785 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.3 | -37.2 | 177.4 | -62.4 | -177.8 | 160.6 | 0 | 0 | 112.7 | G53 D58 K59 | G53-E55 PolarHBondContact O-N 2.91Å; E55-D58 PolarHBondContact O-N 3.49Å; E55-K59 WeakPolarHBondContact O-CB 3.44Å; E55-K59 PolarHBondContact O-N 2.96Å |
| 56 | G | 94.4 | Very high | 93.7 | Very high | 33 Ų | 33 | 86.8 Ų | 86.8 | 34% | 0.34 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G53 Q54 I60 | G53-G56 WeakPolarHBondContact O-CA 3.44Å; G53-G56 PolarHBondContact O-N 3.4Å; Q54-G56 VanDerWaalsContact C-N 3.29Å; Q54-G56 PolarHBondContact O-N 3.39Å; G56-I60 VanDerWaalsContact O-CG1 3.31Å; G56-I60 WeakPolarHBondContact O-CG1 3.48Å; G56-I60 PolarHBondContact O-N 3.47Å |
| 57 | L | 95 | Very high | 93.4 | Very high | 12 Ų | 12 | 87.3 Ų | 87.3 | 6% | 0.063 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 175.3 | 179.7 | 56.9 | 0 | 0 | 0 | 111.9 | K42 L46 L52 G53 Q54 K59 I60 L61 | K42-L57 HydrophobicContact CD-CD2 4.45Å; K42-L57 HydrophobicContact CG-CD2 3.61Å; L46-L57 HydrophobicContact CD1-CD2 4.07Å; L46-L57 HydrophobicContact CD2-CB 4.01Å; L46-L57 HydrophobicContact CD2-CD2 3.68Å; L46-L57 HydrophobicContact CG-CD2 3.65Å; L52-L57 HydrophobicContact CD2-CB 4.18Å; L52-L57 HydrophobicContact CD2-CD1 4.16Å; L52-L57 HydrophobicContact CG-CB 4.18Å; G53-L57 PolarHBondContact O-N 3.19Å; Q54-L57 PolarHBondContact O-N 3.29Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 2.84Å; L57-I60 PolarHBondContact O-N 3.22Å; L57-L61 HydrophobicContact CD1-CD1 4.48Å; L57-L61 HydrophobicContact CD1-CG 4.41Å; L57-L61 HydrophobicContact CG-CD1 4.26Å; L57-L61 WeakPolarHBondContact O-CG 3.49Å; L57-L61 PolarHBondContact O-N 2.87Å |
| 58 | D | 94.4 | Very high | 93 | Very high | 63 Ų | 63 | 80.9 Ų | 80.9 | 34% | 0.337 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 177.3 | -70.1 | -31.4 | 0 | 0 | 0 | 111.7 | K42 Q54 E55 I60 L61 E62 | K42-D58 WeakPolarHBondContact CE-OD1 3.31Å; K42-D58 IonicContact NZ-OD1 2.64Å; K42-D58 PolarHBondContact NZ-OD1 3.3Å; Q54-D58 VanDerWaalsContact NE2-CG 3.28Å; Q54-D58 PolarHBondContact NE2-OD1 2.99Å; Q54-D58 PolarHBondContact NE2-OD2 3.32Å; Q54-D58 PolarHBondContact O-N 3.32Å; E55-D58 PolarHBondContact O-N 3.49Å; D58-I60 PolarHBondContact O-N 3.4Å; D58-L61 PolarHBondContact O-N 3.08Å; D58-E62 WeakPolarHBondContact O-CB 3.43Å; D58-E62 PolarHBondContact O-N 3.2Å |
| 59 | K | 95.5 | Very high | 92.4 | Very high | 144 Ų | 144 | 77.8 Ų | 77.8 | 63% | 0.626 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.8 | -34.7 | 173.5 | -169.8 | 165.8 | -171.6 | 165.2 | 0 | 113.4 | E55 L57 V63 | E55-K59 WeakPolarHBondContact O-CB 3.44Å; E55-K59 PolarHBondContact O-N 2.96Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 2.84Å; K59-V63 WeakPolarHBondContact O-CG2 3.34Å; K59-V63 PolarHBondContact O-N 3.09Å; K59-V63 VanDerWaalsContact O-N 3.09Å |
| 60 | I | 95.1 | Very high | 91.9 | Very high | 87 Ų | 87 | 79.3 Ų | 79.3 | 45% | 0.446 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 171.4 | -70.4 | 167.8 | 0 | 0 | 0 | 110.3 | L52 G56 L57 D58 E62 V63 V64 | L52-I60 HydrophobicContact CD1-CD1 3.77Å; L52-I60 HydrophobicContact CD2-CD1 4.43Å; G56-I60 VanDerWaalsContact O-CG1 3.31Å; G56-I60 WeakPolarHBondContact O-CG1 3.48Å; G56-I60 PolarHBondContact O-N 3.47Å; L57-I60 PolarHBondContact O-N 3.22Å; D58-I60 PolarHBondContact O-N 3.4Å; I60-E62 VanDerWaalsContact C-N 3.35Å; I60-E62 PolarHBondContact O-N 3.5Å; I60-V63 PolarHBondContact O-N 3.48Å; I60-V64 HydrophobicContact CG2-CG2 4.41Å; I60-V64 WeakPolarHBondContact O-CB 3.28Å; I60-V64 VanDerWaalsContact O-CG2 3.29Å; I60-V64 WeakPolarHBondContact O-CG2 3.29Å; I60-V64 PolarHBondContact O-N 3.01Å |
| 61 | L | 93.8 | Very high | 91.4 | Very high | 56 Ų | 56 | 75.5 Ų | 75.5 | 29% | 0.293 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 178.3 | -70.6 | 169.2 | 0 | 0 | 0 | 112.2 | L57 D58 V64 S65 | L57-L61 HydrophobicContact CD1-CD1 4.48Å; L57-L61 HydrophobicContact CD1-CG 4.41Å; L57-L61 HydrophobicContact CG-CD1 4.26Å; L57-L61 WeakPolarHBondContact O-CG 3.49Å; L57-L61 PolarHBondContact O-N 2.87Å; D58-L61 PolarHBondContact O-N 3.08Å; L61-V64 PolarHBondContact O-N 3.49Å; L61-S65 VanDerWaalsContact O-CB 3.23Å; L61-S65 WeakPolarHBondContact O-CB 3.39Å; L61-S65 PolarHBondContact O-N 2.84Å |
| 62 | E | 94.6 | Very high | 90.8 | Very high | 119 Ų | 119 | 73.2 Ų | 73.2 | 56% | 0.556 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.9 | -53.6 | 172.9 | -175.7 | 178.3 | -148.9 | 0 | 0 | 111.3 | D58 I60 V64 S65 D66 | D58-E62 WeakPolarHBondContact O-CB 3.43Å; D58-E62 PolarHBondContact O-N 3.2Å; I60-E62 VanDerWaalsContact C-N 3.35Å; I60-E62 PolarHBondContact O-N 3.5Å; E62-V64 VanDerWaalsContact C-N 3.31Å; E62-V64 PolarHBondContact O-N 2.98Å; E62-S65 WeakPolarHBondContact O-CB 3.38Å; E62-S65 PolarHBondContact O-N 3.12Å; E62-S65 VanDerWaalsContact O-N 3.1Å; E62-D66 PolarHBondContact O-N 3Å |
| 63 | V | 94.3 | Very high | 90.1 | Very high | 93 Ų | 93 | 73.6 Ų | 73.6 | 56% | 0.564 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.8 | -39.6 | 178.2 | 171.1 | 0 | 0 | 0 | 0 | 112.2 | K59 I60 A67 | K59-V63 WeakPolarHBondContact O-CG2 3.34Å; K59-V63 PolarHBondContact O-N 3.09Å; K59-V63 VanDerWaalsContact O-N 3.09Å; I60-V63 PolarHBondContact O-N 3.48Å; V63-A67 WeakPolarHBondContact O-CB 3.38Å; V63-A67 PolarHBondContact O-N 3.14Å |
| 64 | V | 92.6 | Very high | 89.6 | Confident | 55 Ų | 55 | 77 Ų | 77 | 33% | 0.333 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 175.6 | 167.9 | 0 | 0 | 0 | 0 | 111.3 | I60 L61 E62 A68 I74 | I60-V64 HydrophobicContact CG2-CG2 4.41Å; I60-V64 WeakPolarHBondContact O-CB 3.28Å; I60-V64 VanDerWaalsContact O-CG2 3.29Å; I60-V64 WeakPolarHBondContact O-CG2 3.29Å; I60-V64 PolarHBondContact O-N 3.01Å; L61-V64 PolarHBondContact O-N 3.49Å; E62-V64 VanDerWaalsContact C-N 3.31Å; E62-V64 PolarHBondContact O-N 2.98Å; V64-A68 VanDerWaalsContact O-CB 3.29Å; V64-A68 WeakPolarHBondContact O-CB 3.42Å; V64-A68 PolarHBondContact O-N 3.16Å; V64-I74 HydrophobicContact CG1-CB 4.5Å; V64-I74 HydrophobicContact CG1-CD1 4.04Å; V64-I74 HydrophobicContact CG1-CG1 4.07Å; V64-I74 HydrophobicContact CG1-CG2 3.67Å |
| 65 | S | 91.7 | Very high | 88.7 | Confident | 77 Ų | 77 | 78.3 Ų | 78.3 | 54% | 0.538 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.9 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | L61 E62 A68 G69 | L61-S65 VanDerWaalsContact O-CB 3.23Å; L61-S65 WeakPolarHBondContact O-CB 3.39Å; L61-S65 PolarHBondContact O-N 2.84Å; E62-S65 WeakPolarHBondContact O-CB 3.38Å; E62-S65 PolarHBondContact O-N 3.12Å; E62-S65 VanDerWaalsContact O-N 3.1Å; S65-A68 PolarHBondContact O-N 3.32Å; S65-G69 PolarHBondContact O-N 2.83Å |
| 66 | D | 91 | Very high | 87.3 | Confident | 103 Ų | 103 | 73.1 Ų | 73.1 | 55% | 0.551 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.1 | -45.2 | 177.7 | -83.9 | -6.7 | 0 | 0 | 0 | 112.3 | E62 A68 G69 Q70 | E62-D66 PolarHBondContact O-N 3Å; D66-A68 PolarHBondContact O-N 3.06Å; D66-G69 WeakPolarHBondContact O-CA 3.35Å; D66-G69 PolarHBondContact O-N 2.95Å; D66-G69 VanDerWaalsContact O-N 3.13Å; D66-Q70 PolarHBondContact O-N 2.98Å |
| 67 | A | 88.8 | Confident | 85.7 | Confident | 43 Ų | 43 | 80.1 Ų | 80.1 | 36% | 0.355 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V63 G69 Q70 G71 V72 | V63-A67 WeakPolarHBondContact O-CB 3.38Å; V63-A67 PolarHBondContact O-N 3.14Å; A67-G69 VanDerWaalsContact C-N 3.31Å; A67-G69 PolarHBondContact O-N 3.36Å; A67-Q70 PolarHBondContact O-N 2.98Å; A67-G71 PolarHBondContact O-N 3.1Å; A67-V72 WeakPolarHBondContact O-CB 3.36Å; A67-V72 PolarHBondContact O-N 2.96Å; A67-V72 VanDerWaalsContact O-N 3.16Å |
| 68 | A | 86.5 | Confident | 83.9 | Confident | 36 Ų | 36 | 86.5 Ų | 86.5 | 30% | 0.298 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V64 S65 D66 Q70 G71 I74 | V64-A68 VanDerWaalsContact O-CB 3.29Å; V64-A68 WeakPolarHBondContact O-CB 3.42Å; V64-A68 PolarHBondContact O-N 3.16Å; S65-A68 PolarHBondContact O-N 3.32Å; D66-A68 PolarHBondContact O-N 3.06Å; A68-Q70 PolarHBondContact O-N 3.34Å; A68-G71 WeakPolarHBondContact O-CA 3.38Å; A68-G71 PolarHBondContact O-N 2.89Å; A68-I74 HydrophobicContact CB-CD1 3.75Å; A68-I74 HydrophobicContact CB-CG1 3.74Å |
| 69 | G | 83.8 | Confident | 82.3 | Confident | 39 Ų | 39 | 88.2 Ų | 88.2 | 40% | 0.402 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.8 | -30.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S65 D66 A67 G71 K107 | S65-G69 PolarHBondContact O-N 2.83Å; D66-G69 WeakPolarHBondContact O-CA 3.35Å; D66-G69 PolarHBondContact O-N 2.95Å; D66-G69 VanDerWaalsContact O-N 3.13Å; A67-G69 VanDerWaalsContact C-N 3.31Å; A67-G69 PolarHBondContact O-N 3.36Å; G69-G71 VanDerWaalsContact C-N 3.32Å; G69-K107 VanDerWaalsContact O-CE 3.23Å; G69-K107 WeakPolarHBondContact O-CE 3.38Å; G69-K107 PolarHBondContact O-NZ 3.15Å |
| 70 | Q | 85 | Confident | 81 | Confident | 126 Ų | 126 | 83.6 Ų | 83.6 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -9.6 | 171.5 | -59 | -51.1 | -36 | 0 | 0 | 114.1 | D66 A67 A68 | D66-Q70 PolarHBondContact O-N 2.98Å; A67-Q70 PolarHBondContact O-N 2.98Å; A68-Q70 PolarHBondContact O-N 3.34Å |
| 71 | G | 79.2 | Confident | 80 | Confident | 34 Ų | 34 | 84 Ų | 84 | 35% | 0.351 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | 20.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A67 A68 G69 | A67-G71 PolarHBondContact O-N 3.1Å; A68-G71 WeakPolarHBondContact O-CA 3.38Å; A68-G71 PolarHBondContact O-N 2.89Å; G69-G71 VanDerWaalsContact C-N 3.32Å |
| 72 | V | 82.3 | Confident | 79.2 | Confident | 76 Ų | 76 | 83.2 Ų | 83.2 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | trans | -80.3 | 135.7 | 168.7 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | A67 I74 T79 | A67-V72 WeakPolarHBondContact O-CB 3.36Å; A67-V72 PolarHBondContact O-N 2.96Å; A67-V72 VanDerWaalsContact O-N 3.16Å; V72-I74 PolarHBondContact O-N 3.39Å; V72-T79 HydrophobicContact CG1-CG2 4.41Å | ||
| 73 | A | 78.2 | Confident | 78.9 | Confident | 49 Ų | 49 | 83.5 Ų | 83.5 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | trans | -67 | 126.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T75 | A73-T75 PolarHBondContact O-N 3.25Š| ||
| 74 | I | 80.3 | Confident | 78.7 | Confident | 115 Ų | 115 | 81.7 Ų | 81.7 | 59% | 0.59 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -63.2 | -30.8 | 179.9 | -61 | 172.7 | 0 | 0 | 0 | 111.6 | V64 A68 V72 | V64-I74 HydrophobicContact CG1-CB 4.5Å; V64-I74 HydrophobicContact CG1-CD1 4.04Å; V64-I74 HydrophobicContact CG1-CG1 4.07Å; V64-I74 HydrophobicContact CG1-CG2 3.67Å; A68-I74 HydrophobicContact CB-CD1 3.75Å; A68-I74 HydrophobicContact CB-CG1 3.74Å; V72-I74 PolarHBondContact O-N 3.39Å |
| 75 | T | 73.2 | Confident | 78.5 | Confident | 117 Ų | 117 | 88.6 Ų | 88.6 | 72% | 0.718 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -126.3 | 139.8 | -172.7 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | A73 | A73-T75 PolarHBondContact O-N 3.25Š|
| 76 | G | 64.3 | Low | 78.3 | Confident | 59 Ų | 59 | 87.3 Ų | 87.3 | 61% | 0.608 | 49% | 0.493 | S | S | * | . | trans | 109.7 | 140.1 | 171 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q78 | G76-Q78 PolarHBondContact O-N 2.9Š| ||
| 77 | N | 59.8 | Low | 78.1 | Confident | 179 Ų | 179 | 83 Ų | 83 | 96% | 0.957 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -73.4 | -8.9 | 179.8 | -70.8 | 0.7 | 0 | 0 | 0 | 113.9 | ||
| 78 | Q | 57.3 | Low | 78.3 | Confident | 146 Ų | 146 | 82.3 Ų | 82.3 | 68% | 0.682 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -116.3 | 96.9 | 179.3 | -64.5 | -174.6 | 8.1 | 0 | 0 | 108.9 | G76 F80 | G76-Q78 PolarHBondContact O-N 2.9Å; Q78-F80 PolarHBondContact O-N 2.88Å |
| 79 | T | 61.9 | Low | 78.6 | Confident | 99 Ų | 99 | 84.7 Ų | 84.7 | 61% | 0.607 | 47% | 0.47 | S | S | * | . | trans | -67.6 | 113.3 | 172.9 | 45.6 | 0 | 0 | 0 | 0 | 109.3 | V72 N81 | V72-T79 HydrophobicContact CG1-CG2 4.41Å; T79-N81 PolarHBondContact O-N 3.33Å; T79-N81 VanDerWaalsContact O-N 3.1Å | ||
| 80 | F | 68.6 | Low | 78.9 | Confident | 47 Ų | 47 | 84.6 Ų | 84.6 | 21% | 0.206 | 46% | 0.46 | C | S | . | . | trans | -66.5 | 112.5 | 175.7 | 174.2 | -114.1 | 0 | 0 | 0 | 109.6 | Q78 N82 N87 V213 P215 | Q78-F80 PolarHBondContact O-N 2.88Å; F80-N82 VanDerWaalsContact C-N 3.35Å; F80-N82 WeakPolarHBondContact CD1-OD1 3.31Å; F80-N82 WeakPolarHBondContact CE1-OD1 3.2Å; F80-N82 PolarHBondContact O-N 2.8Å; F80-N87 WeakPolarHBondContact CE2-ND2 3.41Å; F80-N87 WeakPolarHBondContact CZ-ND2 3.4Å; F80-N87 WeakPolarHBondContact CZ-OD1 3.45Å; F80-V213 HydrophobicContact CE1-CB 4Å; F80-V213 HydrophobicContact CE1-CG1 4.2Å; F80-P215 HydrophobicContact CB-CB 4.25Å; F80-P215 HydrophobicContact CB-CG 3.88Å | ||
| 81 | N | 73.4 | Confident | 79.3 | Confident | 97 Ų | 97 | 80.5 Ų | 80.5 | 52% | 0.519 | 44% | 0.441 | S | S | . | . | trans | -72.4 | 87.1 | -175.4 | -178.4 | -5.3 | 0 | 0 | 0 | 111.5 | T79 W83 N84 N87 | T79-N81 PolarHBondContact O-N 3.33Å; T79-N81 VanDerWaalsContact O-N 3.1Å; N81-W83 PolarHBondContact O-N 3.28Å; N81-W83 PolarHBondContact OD1-N 2.98Å; N81-W83 VanDerWaalsContact OD1-N 3.13Å; N81-N84 PolarHBondContact O-N 3.42Å; N81-N84 PolarHBondContact O-ND2 3.37Å; N81-N84 PolarHBondContact OD1-N 3.47Å; N81-N87 PolarHBondContact O-ND2 3.01Å | ||
| 82 | N | 77 | Confident | 80 | Confident | 38 Ų | 38 | 80 Ų | 80 | 20% | 0.203 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -16.9 | 179.6 | -75.2 | -41 | 0 | 0 | 0 | 115.4 | F80 N87 V104 | F80-N82 VanDerWaalsContact C-N 3.35Å; F80-N82 WeakPolarHBondContact CD1-OD1 3.31Å; F80-N82 WeakPolarHBondContact CE1-OD1 3.2Å; F80-N82 PolarHBondContact O-N 2.8Å; N82-N87 WeakPolarHBondContact O-CB 3.23Å; N82-V104 HydrophobicContact CB-CG1 4.01Å; N82-V104 HydrophobicContact CB-CG2 3.82Å; N82-V104 VanDerWaalsContact CG-CG2 3.45Å; N82-V104 WeakPolarHBondContact OD1-CG2 3.18Å |
| 83 | W | 88.4 | Confident | 80.6 | Confident | 126 Ų | 126 | 76.7 Ų | 76.7 | 48% | 0.477 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 17.4 | -174.5 | -65.3 | 109.5 | 0 | 0 | 0 | 114.5 | N81 F91 V104 | N81-W83 PolarHBondContact O-N 3.28Å; N81-W83 PolarHBondContact OD1-N 2.98Å; N81-W83 VanDerWaalsContact OD1-N 3.13Å; W83-F91 HydrophobicContact CH2-CD1 4.02Å; W83-F91 HydrophobicContact CH2-CD2 4.31Å; W83-F91 AromaticContact CH2-CE1 4Å; W83-F91 HydrophobicContact CH2-CE1 4Å; W83-F91 HydrophobicContact CH2-CE2 4.29Å; W83-F91 HydrophobicContact CH2-CG 4.19Å; W83-F91 HydrophobicContact CH2-CZ 4.15Å; W83-F91 AromaticContact CZ3-CD1 3.79Å; W83-F91 HydrophobicContact CZ3-CD1 3.79Å; W83-F91 HydrophobicContact CZ3-CE1 4.1Å; W83-F91 HydrophobicContact CZ3-CG 4.12Å; W83-V104 HydrophobicContact CD2-CG1 4.45Å; W83-V104 HydrophobicContact CH2-CG1 3.97Å; W83-V104 HydrophobicContact CZ2-CG1 3.48Å; W83-V104 VanDerWaalsContact CZ2-CG1 3.48Å |
| 84 | N | 89 | Confident | 81.4 | Confident | 54 Ų | 54 | 74.9 Ų | 74.9 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -67.8 | 164.1 | 164.8 | 71.9 | 32.9 | 0 | 0 | 0 | 111.6 | N81 P86 N87 A88 | N81-N84 PolarHBondContact O-N 3.42Å; N81-N84 PolarHBondContact O-ND2 3.37Å; N81-N84 PolarHBondContact OD1-N 3.47Å; N84-P86 WeakPolarHBondContact OD1-CD 3.39Å; N84-N87 PolarHBondContact ND2-ND2 3.39Å; N84-N87 PolarHBondContact O-N 2.95Å; N84-N87 VanDerWaalsContact O-N 3.16Å; N84-N87 VanDerWaalsContact OD1-CB 3.26Å; N84-N87 WeakPolarHBondContact OD1-CB 3.44Å; N84-N87 PolarHBondContact OD1-N 3.14Å; N84-N87 PolarHBondContact OD1-ND2 2.85Å; N84-A88 WeakPolarHBondContact O-CB 3.43Å; N84-A88 PolarHBondContact O-N 3.31Å |
| 85 | W | 89.4 | Confident | 82.2 | Confident | 201 Ų | 201 | 70.6 Ų | 70.6 | 76% | 0.761 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -56.5 | -48.2 | -173.5 | 174.5 | -97.6 | 0 | 0 | 0 | 114.8 | N87 A88 M89 | W85-N87 VanDerWaalsContact C-N 3.35Å; W85-N87 PolarHBondContact O-N 3.38Å; W85-A88 PolarHBondContact O-N 3.28Å; W85-M89 HydrophobicContact CZ2-CE 4Å; W85-M89 WeakPolarHBondContact O-CB 3.35Å; W85-M89 PolarHBondContact O-N 2.77Å |
| 86 | P | 87.1 | Confident | 83.3 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 32% | 0.318 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 174.4 | -26.3 | 35 | 0 | 0 | 0 | 113.9 | N84 M89 I90 | N84-P86 WeakPolarHBondContact OD1-CD 3.39Å; P86-M89 PolarHBondContact O-N 2.92Å; P86-I90 WeakPolarHBondContact O-CG1 3.27Å; P86-I90 PolarHBondContact O-N 3.32Å; P86-I90 VanDerWaalsContact O-N 3.14Å |
| 87 | N | 87.8 | Confident | 84.7 | Confident | 12 Ų | 12 | 64.1 Ų | 64.1 | 6% | 0.064 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.2 | -40.4 | -179.7 | -68.8 | -17.1 | 0 | 0 | 0 | 112 | F80 N81 N82 N84 W85 M89 I90 F91 R224 | F80-N87 WeakPolarHBondContact CE2-ND2 3.41Å; F80-N87 WeakPolarHBondContact CZ-ND2 3.4Å; F80-N87 WeakPolarHBondContact CZ-OD1 3.45Å; N81-N87 PolarHBondContact O-ND2 3.01Å; N82-N87 WeakPolarHBondContact O-CB 3.23Å; N84-N87 PolarHBondContact ND2-ND2 3.39Å; N84-N87 PolarHBondContact O-N 2.95Å; N84-N87 VanDerWaalsContact O-N 3.16Å; N84-N87 VanDerWaalsContact OD1-CB 3.26Å; N84-N87 WeakPolarHBondContact OD1-CB 3.44Å; N84-N87 PolarHBondContact OD1-N 3.14Å; N84-N87 PolarHBondContact OD1-ND2 2.85Å; W85-N87 VanDerWaalsContact C-N 3.35Å; W85-N87 PolarHBondContact O-N 3.38Å; N87-M89 VanDerWaalsContact C-N 3.27Å; N87-M89 PolarHBondContact O-N 3.48Å; N87-I90 PolarHBondContact O-N 3.31Å; N87-F91 WeakPolarHBondContact O-CB 3.33Å; N87-F91 PolarHBondContact O-N 2.86Å; N87-R224 PolarHBondContact OD1-NH1 3.38Å |
| 88 | A | 92.6 | Very high | 86.5 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 25% | 0.248 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.2 | -34.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N84 W85 A92 | N84-A88 WeakPolarHBondContact O-CB 3.43Å; N84-A88 PolarHBondContact O-N 3.31Å; W85-A88 PolarHBondContact O-N 3.28Å; A88-A92 VanDerWaalsContact O-CB 3.28Å; A88-A92 WeakPolarHBondContact O-CB 3.38Å; A88-A92 PolarHBondContact O-N 2.9Å |
| 89 | M | 91.4 | Very high | 88.3 | Confident | 86 Ų | 86 | 52.1 Ų | 52.1 | 42% | 0.424 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 174.1 | -176 | -178.2 | -67 | 0 | 0 | 112.1 | W85 P86 N87 A92 A93 Y225 | W85-M89 HydrophobicContact CZ2-CE 4Å; W85-M89 WeakPolarHBondContact O-CB 3.35Å; W85-M89 PolarHBondContact O-N 2.77Å; P86-M89 PolarHBondContact O-N 2.92Å; N87-M89 VanDerWaalsContact C-N 3.27Å; N87-M89 PolarHBondContact O-N 3.48Å; M89-A92 PolarHBondContact O-N 3.28Å; M89-A93 PolarHBondContact O-N 2.6Å; M89-Y225 HydrophobicContact SD-CE1 4.33Å |
| 90 | I | 90.2 | Very high | 89.8 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 19% | 0.19 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.3 | -42.1 | 176.3 | -63.2 | 162.7 | 0 | 0 | 0 | 110.5 | P86 N87 A92 A93 T94 R224 | P86-I90 WeakPolarHBondContact O-CG1 3.27Å; P86-I90 PolarHBondContact O-N 3.32Å; P86-I90 VanDerWaalsContact O-N 3.14Å; N87-I90 PolarHBondContact O-N 3.31Å; I90-A92 VanDerWaalsContact C-N 3.35Å; I90-A92 PolarHBondContact O-N 3.33Å; I90-A93 WeakPolarHBondContact O-CB 3.27Å; I90-A93 PolarHBondContact O-N 3.39Å; I90-A93 VanDerWaalsContact O-N 3.17Å; I90-T94 HydrophobicContact CG2-CG2 4.46Å; I90-T94 WeakPolarHBondContact O-CG2 3.49Å; I90-T94 PolarHBondContact O-N 3.49Å; I90-R224 HydrophobicContact CD1-CB 3.81Å; I90-R224 HydrophobicContact CD1-CG 4.33Å |
| 91 | F | 93.3 | Very high | 91 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 18% | 0.175 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55 | -51.1 | 172.2 | 169.2 | -98.2 | 0 | 0 | 0 | 110.9 | W83 N87 A93 T94 V95 V104 | W83-F91 HydrophobicContact CH2-CD1 4.02Å; W83-F91 HydrophobicContact CH2-CD2 4.31Å; W83-F91 AromaticContact CH2-CE1 4Å; W83-F91 HydrophobicContact CH2-CE1 4Å; W83-F91 HydrophobicContact CH2-CE2 4.29Å; W83-F91 HydrophobicContact CH2-CG 4.19Å; W83-F91 HydrophobicContact CH2-CZ 4.15Å; W83-F91 AromaticContact CZ3-CD1 3.79Å; W83-F91 HydrophobicContact CZ3-CD1 3.79Å; W83-F91 HydrophobicContact CZ3-CE1 4.1Å; W83-F91 HydrophobicContact CZ3-CG 4.12Å; N87-F91 WeakPolarHBondContact O-CB 3.33Å; N87-F91 PolarHBondContact O-N 2.86Å; F91-A93 VanDerWaalsContact C-N 3.28Å; F91-A93 PolarHBondContact O-N 3.28Å; F91-T94 PolarHBondContact O-N 3.44Å; F91-T94 VanDerWaalsContact O-N 3.08Å; F91-T94 PolarHBondContact O-OG1 3.16Å; F91-V95 HydrophobicContact CE1-CG2 3.99Å; F91-V95 HydrophobicContact CE2-CG2 3.99Å; F91-V95 HydrophobicContact CZ-CG2 3.67Å; F91-V95 WeakPolarHBondContact O-CG2 3.36Å; F91-V95 PolarHBondContact O-N 3.46Å; F91-V104 WeakPolarHBondContact CE2-O 3.43Å |
| 92 | A | 95.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.7 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A88 M89 I90 V95 I96 Y118 | A88-A92 VanDerWaalsContact O-CB 3.28Å; A88-A92 WeakPolarHBondContact O-CB 3.38Å; A88-A92 PolarHBondContact O-N 2.9Å; M89-A92 PolarHBondContact O-N 3.28Å; I90-A92 VanDerWaalsContact C-N 3.35Å; I90-A92 PolarHBondContact O-N 3.33Å; A92-V95 PolarHBondContact O-N 3.21Å; A92-I96 PolarHBondContact O-N 3.05Å; A92-I96 VanDerWaalsContact O-N 3.16Å; A92-Y118 HydrophobicContact CB-CE1 3.93Å |
| 93 | A | 93.8 | Very high | 92.2 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M89 I90 F91 V95 I96 T97 E228 Y232 | M89-A93 PolarHBondContact O-N 2.6Å; I90-A93 WeakPolarHBondContact O-CB 3.27Å; I90-A93 PolarHBondContact O-N 3.39Å; I90-A93 VanDerWaalsContact O-N 3.17Å; F91-A93 VanDerWaalsContact C-N 3.28Å; F91-A93 PolarHBondContact O-N 3.28Å; A93-V95 VanDerWaalsContact C-N 3.26Å; A93-V95 PolarHBondContact O-N 3.48Å; A93-I96 WeakPolarHBondContact O-CG1 3.28Å; A93-I96 PolarHBondContact O-N 2.71Å; A93-T97 WeakPolarHBondContact O-CB 3.24Å; A93-T97 WeakPolarHBondContact O-CG2 3.43Å; A93-T97 PolarHBondContact O-N 3.13Å; A93-T97 PolarHBondContact O-OG1 2.97Å; A93-E228 VanDerWaalsContact CB-OE1 3.25Å; A93-E228 WeakPolarHBondContact CB-OE1 3.4Å; A93-Y232 VanDerWaalsContact CB-OH 3.24Å; A93-Y232 WeakPolarHBondContact CB-OH 3.36Å |
| 94 | T | 95 | Very high | 92.2 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -28.6 | 178.4 | 64.4 | 0 | 0 | 0 | 0 | 113 | I90 F91 T97 I99 G100 Y101 | I90-T94 HydrophobicContact CG2-CG2 4.46Å; I90-T94 WeakPolarHBondContact O-CG2 3.49Å; I90-T94 PolarHBondContact O-N 3.49Å; F91-T94 PolarHBondContact O-N 3.44Å; F91-T94 VanDerWaalsContact O-N 3.08Å; F91-T94 PolarHBondContact O-OG1 3.16Å; T94-T97 WeakPolarHBondContact CA-OG1 3.3Å; T94-T97 PolarHBondContact O-OG1 3.25Å; T94-I99 PolarHBondContact O-N 3.32Å; T94-I99 VanDerWaalsContact O-N 3.12Å; T94-G100 PolarHBondContact O-N 3.01Å; T94-Y101 HydrophobicContact CG2-CD2 3.6Å; T94-Y101 HydrophobicContact CG2-CE2 3.71Å |
| 95 | V | 96.6 | Very high | 92.3 | Very high | 26 Ų | 26 | 41.5 Ų | 41.5 | 16% | 0.158 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.2 | -51.8 | 174 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | F91 A92 A93 T97 T98 Y118 | F91-V95 HydrophobicContact CE1-CG2 3.99Å; F91-V95 HydrophobicContact CE2-CG2 3.99Å; F91-V95 HydrophobicContact CZ-CG2 3.67Å; F91-V95 WeakPolarHBondContact O-CG2 3.36Å; F91-V95 PolarHBondContact O-N 3.46Å; A92-V95 PolarHBondContact O-N 3.21Å; A93-V95 VanDerWaalsContact C-N 3.26Å; A93-V95 PolarHBondContact O-N 3.48Å; V95-T97 VanDerWaalsContact C-N 3.33Å; V95-T97 PolarHBondContact O-N 3.46Å; V95-T98 PolarHBondContact O-N 3.18Å; V95-Y118 HydrophobicContact CB-CD1 4.49Å; V95-Y118 HydrophobicContact CB-CE1 4.49Å; V95-Y118 HydrophobicContact CG1-CD1 4.02Å; V95-Y118 HydrophobicContact CG1-CE1 4.43Å |
| 96 | I | 96.5 | Very high | 92.5 | Very high | 35 Ų | 35 | 33 Ų | 33 | 18% | 0.179 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.6 | -24.6 | -176 | 66.9 | 175.4 | 0 | 0 | 0 | 113.7 | A92 A93 T98 Y118 C126 | A92-I96 PolarHBondContact O-N 3.05Å; A92-I96 VanDerWaalsContact O-N 3.16Å; A93-I96 WeakPolarHBondContact O-CG1 3.28Å; A93-I96 PolarHBondContact O-N 2.71Å; I96-T98 VanDerWaalsContact C-N 3.26Å; I96-Y118 HydrophobicContact CG2-CD1 4.25Å; I96-Y118 HydrophobicContact CG2-CE1 3.51Å; I96-C126 HydrophobicContact CB-CB 4.09Å; I96-C126 HydrophobicContact CD1-CB 4.41Å; I96-C126 HydrophobicContact CG1-CB 4.25Å; I96-C126 VanDerWaalsContact O-CB 3.24Å; I96-C126 WeakPolarHBondContact O-CB 3.24Å |
| 97 | T | 94.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -0.5 | 174.1 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | A93 T94 V95 I99 Y232 L235 | A93-T97 WeakPolarHBondContact O-CB 3.24Å; A93-T97 WeakPolarHBondContact O-CG2 3.43Å; A93-T97 PolarHBondContact O-N 3.13Å; A93-T97 PolarHBondContact O-OG1 2.97Å; T94-T97 WeakPolarHBondContact CA-OG1 3.3Å; T94-T97 PolarHBondContact O-OG1 3.25Å; V95-T97 VanDerWaalsContact C-N 3.33Å; V95-T97 PolarHBondContact O-N 3.46Å; T97-I99 PolarHBondContact O-N 3.42Å; T97-Y232 HydrophobicContact CG2-CD1 4.17Å; T97-Y232 HydrophobicContact CG2-CE1 3.72Å; T97-L235 HydrophobicContact CG2-CD1 3.75Å |
| 98 | T | 95.9 | Very high | 93.1 | Very high | 68 Ų | 68 | 38 Ų | 38 | 42% | 0.417 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 23.4 | -174.4 | 63.3 | 0 | 0 | 0 | 0 | 114.6 | V95 I96 V123 | V95-T98 PolarHBondContact O-N 3.18Å; I96-T98 VanDerWaalsContact C-N 3.26Å; T98-V123 HydrophobicContact CG2-CB 4.2Å; T98-V123 HydrophobicContact CG2-CG1 3.48Å; T98-V123 VanDerWaalsContact CG2-CG1 3.48Å; T98-V123 HydrophobicContact CG2-CG2 3.6Å |
| 99 | I | 95.7 | Very high | 93.3 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | trans | -77.4 | -50.5 | 173 | -63.1 | 170.9 | 0 | 0 | 0 | 109.7 | T94 T97 Y101 T200 T203 G205 I231 L235 | T94-I99 PolarHBondContact O-N 3.32Å; T94-I99 VanDerWaalsContact O-N 3.12Å; T97-I99 PolarHBondContact O-N 3.42Å; I99-Y101 HydrophobicContact CG2-CD1 3.94Å; I99-Y101 HydrophobicContact CG2-CD2 4.22Å; I99-Y101 HydrophobicContact CG2-CE1 3.75Å; I99-Y101 HydrophobicContact CG2-CE2 4.03Å; I99-Y101 HydrophobicContact CG2-CG 4.18Å; I99-Y101 PolarHBondContact O-N 3.03Å; I99-T200 HydrophobicContact CD1-CG2 4.31Å; I99-T203 HydrophobicContact CG1-CG2 3.97Å; I99-G205 WeakPolarHBondContact O-CA 3.41Å; I99-I231 HydrophobicContact CD1-CG2 3.49Å; I99-I231 VanDerWaalsContact CD1-CG2 3.49Å; I99-L235 HydrophobicContact CD1-CD1 4.39Å | ||
| 100 | G | 94.3 | Very high | 93.6 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 43% | 0.433 | 27% | 0.272 | S | S | . | . | trans | 54.1 | 49.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | T94 G102 | T94-G100 PolarHBondContact O-N 3.01Å; G100-G102 PolarHBondContact O-N 3.18Å | ||
| 101 | Y | 93 | Very high | 93.9 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | trans | -45.4 | -27.8 | -176 | -66.5 | -64.4 | 0 | 0 | 0 | 115.9 | T94 I99 N103 Y196 T200 G205 G207 V210 | T94-Y101 HydrophobicContact CG2-CD2 3.6Å; T94-Y101 HydrophobicContact CG2-CE2 3.71Å; I99-Y101 HydrophobicContact CG2-CD1 3.94Å; I99-Y101 HydrophobicContact CG2-CD2 4.22Å; I99-Y101 HydrophobicContact CG2-CE1 3.75Å; I99-Y101 HydrophobicContact CG2-CE2 4.03Å; I99-Y101 HydrophobicContact CG2-CG 4.18Å; I99-Y101 PolarHBondContact O-N 3.03Å; Y101-N103 PolarHBondContact O-N 3.2Å; Y101-Y196 AromaticContact CE1-CE2 4Å; Y101-Y196 HydrophobicContact CE1-CE2 4Å; Y101-Y196 PolarHBondContact OH-OH 3.17Å; Y101-T200 WeakPolarHBondContact OH-CG2 3.22Å; Y101-T200 PolarHBondContact OH-OG1 3.05Å; Y101-G205 VanDerWaalsContact CA-O 3.29Å; Y101-G205 WeakPolarHBondContact CA-O 3.29Å; Y101-G207 VanDerWaalsContact O-CA 3.23Å; Y101-G207 WeakPolarHBondContact O-CA 3.35Å; Y101-V210 HydrophobicContact CD1-CG2 4.02Å; Y101-V210 HydrophobicContact CD2-CG1 4.31Å; Y101-V210 HydrophobicContact CD2-CG2 4.29Å; Y101-V210 HydrophobicContact CE1-CG2 4.49Å; Y101-V210 HydrophobicContact CE2-CG1 4.32Å; Y101-V210 HydrophobicContact CG-CG2 3.91Å | ||
| 102 | G | 89.1 | Confident | 94.1 | Very high | 56 Ų | 56 | 45.3 Ų | 45.3 | 58% | 0.577 | 29% | 0.289 | S | S | * | . | trans | 75 | -13.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | G100 V104 | G100-G102 PolarHBondContact O-N 3.18Å; G102-V104 PolarHBondContact O-N 3.2Å; G102-V104 VanDerWaalsContact O-N 3.16Å | ||
| 103 | N | 86.6 | Confident | 94.2 | Very high | 70 Ų | 70 | 49.4 Ų | 49.4 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -56.2 | -26.5 | 170.7 | 72.1 | -40.9 | 0 | 0 | 0 | 113 | Y101 V210 | Y101-N103 PolarHBondContact O-N 3.2Å; N103-V210 HydrophobicContact CB-CG2 4.4Å |
| 104 | V | 87.9 | Confident | 94.4 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 13% | 0.127 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -131 | 129.9 | 170 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | N82 W83 F91 G102 | N82-V104 HydrophobicContact CB-CG1 4.01Å; N82-V104 HydrophobicContact CB-CG2 3.82Å; N82-V104 VanDerWaalsContact CG-CG2 3.45Å; N82-V104 WeakPolarHBondContact OD1-CG2 3.18Å; W83-V104 HydrophobicContact CD2-CG1 4.45Å; W83-V104 HydrophobicContact CH2-CG1 3.97Å; W83-V104 HydrophobicContact CZ2-CG1 3.48Å; W83-V104 VanDerWaalsContact CZ2-CG1 3.48Å; F91-V104 WeakPolarHBondContact CE2-O 3.43Å; G102-V104 PolarHBondContact O-N 3.2Å; G102-V104 VanDerWaalsContact O-N 3.16Å |
| 105 | A | 91.5 | Very high | 94.5 | Very high | 36 Ų | 36 | 56.5 Ų | 56.5 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | trans | -149 | 147.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K107 | A105-K107 WeakPolarHBondContact O-CE 3.21Å; A105-K107 PolarHBondContact O-N 3.21Å | ||
| 106 | P | 93.8 | Very high | 94.6 | Very high | 23 Ų | 23 | 59.8 Ų | 59.8 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | trans | -65.9 | 124 | -179.5 | 25.9 | -33.8 | 0 | 0 | 0 | 111.7 | R112 C115 | P106-R112 HydrophobicContact CB-CG 4.33Å; P106-R112 HydrophobicContact CG-CG 4.21Å; P106-R112 VanDerWaalsContact O-CG 3.27Å; P106-R112 WeakPolarHBondContact O-CG 3.31Å; P106-R112 PolarHBondContact O-NE 3.3Å; P106-C115 HydrophobicContact CG-CB 4.12Å | ||
| 107 | K | 91.4 | Very high | 94.7 | Very high | 81 Ų | 81 | 63.3 Ų | 63.3 | 35% | 0.352 | 37% | 0.373 | S | S | . | . | trans | -92.6 | -26.8 | 179.2 | -52 | -62.6 | 173.9 | 164.3 | 0 | 112.9 | G69 A105 | G69-K107 VanDerWaalsContact O-CE 3.23Å; G69-K107 WeakPolarHBondContact O-CE 3.38Å; G69-K107 PolarHBondContact O-NZ 3.15Å; A105-K107 WeakPolarHBondContact O-CE 3.21Å; A105-K107 PolarHBondContact O-N 3.21Å | ||
| 108 | T | 95.1 | Very high | 94.8 | Very high | 86 Ų | 86 | 66.8 Ų | 66.8 | 53% | 0.528 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -76.3 | 144.2 | 179.2 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | A110 G111 R112 | T108-A110 VanDerWaalsContact C-N 3.32Å; T108-A110 PolarHBondContact O-N 3.22Å; T108-G111 PolarHBondContact O-N 2.82Å; T108-G111 PolarHBondContact OG1-N 3.08Å; T108-G111 VanDerWaalsContact OG1-N 3.15Å; T108-R112 WeakPolarHBondContact O-CG 3.29Å; T108-R112 PolarHBondContact O-N 3Å |
| 109 | P | 96.8 | Very high | 94.9 | Very high | 113 Ų | 113 | 64.3 Ų | 64.3 | 73% | 0.734 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -56.7 | -43.2 | 176.2 | -26.8 | 35.1 | 0 | 0 | 0 | 113.1 | R112 L113 | P109-R112 PolarHBondContact O-N 3.47Å; P109-L113 PolarHBondContact O-N 3.33Å |
| 110 | A | 97.7 | Very high | 95 | Very high | 73 Ų | 73 | 69.1 Ų | 69.1 | 60% | 0.603 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.6 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T108 L113 F114 | T108-A110 VanDerWaalsContact C-N 3.32Å; T108-A110 PolarHBondContact O-N 3.22Å; A110-L113 PolarHBondContact O-N 2.81Å; A110-F114 WeakPolarHBondContact O-CB 3.45Å; A110-F114 PolarHBondContact O-N 2.91Å |
| 111 | G | 96.9 | Very high | 95.1 | Very high | 19 Ų | 19 | 74.3 Ų | 74.3 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T108 C115 | T108-G111 PolarHBondContact O-N 2.82Å; T108-G111 PolarHBondContact OG1-N 3.08Å; T108-G111 VanDerWaalsContact OG1-N 3.15Å; G111-C115 VanDerWaalsContact O-CB 3.29Å; G111-C115 WeakPolarHBondContact O-CB 3.23Å; G111-C115 PolarHBondContact O-N 2.95Å |
| 112 | R | 97.3 | Very high | 95.3 | Very high | 141 Ų | 141 | 74.2 Ų | 74.2 | 53% | 0.532 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.2 | -48.3 | 173.7 | -70.2 | 174.9 | 179.7 | 179.6 | 0.1 | 111.6 | P106 T108 P109 F114 C115 V116 | P106-R112 HydrophobicContact CB-CG 4.33Å; P106-R112 HydrophobicContact CG-CG 4.21Å; P106-R112 VanDerWaalsContact O-CG 3.27Å; P106-R112 WeakPolarHBondContact O-CG 3.31Å; P106-R112 PolarHBondContact O-NE 3.3Å; T108-R112 WeakPolarHBondContact O-CG 3.29Å; T108-R112 PolarHBondContact O-N 3Å; P109-R112 PolarHBondContact O-N 3.47Å; R112-F114 PolarHBondContact O-N 2.97Å; R112-C115 WeakPolarHBondContact O-CB 3.29Å; R112-C115 PolarHBondContact O-N 3.39Å; R112-C115 VanDerWaalsContact O-N 3.15Å; R112-V116 PolarHBondContact O-N 2.97Å |
| 113 | L | 98 | Very high | 95.6 | Very high | 107 Ų | 107 | 73 Ų | 73 | 56% | 0.56 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.6 | -43.3 | 177.9 | -176.3 | 61.8 | 0 | 0 | 0 | 111.8 | P109 A110 C115 V116 F117 | P109-L113 PolarHBondContact O-N 3.33Å; A110-L113 PolarHBondContact O-N 2.81Å; L113-C115 VanDerWaalsContact C-N 3.35Å; L113-C115 PolarHBondContact O-N 2.85Å; L113-V116 PolarHBondContact O-N 3.4Å; L113-F117 HydrophobicContact CD1-CD2 4.39Å; L113-F117 HydrophobicContact CD1-CE2 3.72Å; L113-F117 HydrophobicContact CD1-CZ 4.49Å; L113-F117 HydrophobicContact CG-CD2 4.38Å; L113-F117 HydrophobicContact CG-CE2 3.94Å; L113-F117 VanDerWaalsContact O-CD2 3.27Å; L113-F117 WeakPolarHBondContact O-CD2 3.36Å; L113-F117 PolarHBondContact O-N 3.17Å |
| 114 | F | 98.1 | Very high | 96.1 | Very high | 137 Ų | 137 | 73.1 Ų | 73.1 | 60% | 0.601 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.4 | -44.3 | 172.4 | 174.2 | -100.8 | 0 | 0 | 0 | 111.9 | A110 R112 V116 F117 Y118 | A110-F114 WeakPolarHBondContact O-CB 3.45Å; A110-F114 PolarHBondContact O-N 2.91Å; R112-F114 PolarHBondContact O-N 2.97Å; F114-V116 VanDerWaalsContact C-N 3.27Å; F114-V116 PolarHBondContact O-N 3.26Å; F114-F117 PolarHBondContact O-N 3.44Å; F114-Y118 HydrophobicContact CE1-CD2 4.42Å; F114-Y118 HydrophobicContact CE1-CG 4.28Å; F114-Y118 HydrophobicContact CZ-CD2 4.09Å; F114-Y118 HydrophobicContact CZ-CG 4.35Å; F114-Y118 VanDerWaalsContact O-CB 3.3Å; F114-Y118 WeakPolarHBondContact O-CB 3.42Å; F114-Y118 PolarHBondContact O-N 3.38Å |
| 115 | C | 97.8 | Very high | 96.4 | Very high | 30 Ų | 30 | 77.9 Ų | 77.9 | 20% | 0.203 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.9 | -34 | 178.9 | -167.2 | 0 | 0 | 0 | 0 | 112.9 | P106 G111 R112 L113 G119 | P106-C115 HydrophobicContact CG-CB 4.12Å; G111-C115 VanDerWaalsContact O-CB 3.29Å; G111-C115 WeakPolarHBondContact O-CB 3.23Å; G111-C115 PolarHBondContact O-N 2.95Å; R112-C115 WeakPolarHBondContact O-CB 3.29Å; R112-C115 PolarHBondContact O-N 3.39Å; R112-C115 VanDerWaalsContact O-N 3.15Å; L113-C115 VanDerWaalsContact C-N 3.35Å; L113-C115 PolarHBondContact O-N 2.85Å; C115-G119 PolarHBondContact O-N 2.88Å |
| 116 | V | 98.1 | Very high | 96.5 | Very high | 96 Ų | 96 | 76.4 Ų | 76.4 | 58% | 0.582 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.1 | -52.3 | 174.3 | 172 | 0 | 0 | 0 | 0 | 110.9 | R112 L113 F114 G119 L120 | R112-V116 PolarHBondContact O-N 2.97Å; L113-V116 PolarHBondContact O-N 3.4Å; F114-V116 VanDerWaalsContact C-N 3.27Å; F114-V116 PolarHBondContact O-N 3.26Å; V116-G119 PolarHBondContact O-N 3.12Å; V116-L120 WeakPolarHBondContact O-CB 3.42Å; V116-L120 PolarHBondContact O-N 3.38Å |
| 117 | F | 98.1 | Very high | 96.4 | Very high | 108 Ų | 108 | 80 Ų | 80 | 47% | 0.474 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 177.9 | -68 | -66.2 | 0 | 0 | 0 | 112.3 | L113 F114 G119 L120 F121 | L113-F117 HydrophobicContact CD1-CD2 4.39Å; L113-F117 HydrophobicContact CD1-CE2 3.72Å; L113-F117 HydrophobicContact CD1-CZ 4.49Å; L113-F117 HydrophobicContact CG-CD2 4.38Å; L113-F117 HydrophobicContact CG-CE2 3.94Å; L113-F117 VanDerWaalsContact O-CD2 3.27Å; L113-F117 WeakPolarHBondContact O-CD2 3.36Å; L113-F117 PolarHBondContact O-N 3.17Å; F114-F117 PolarHBondContact O-N 3.44Å; F117-G119 PolarHBondContact O-N 3.33Å; F117-L120 PolarHBondContact O-N 2.94Å; F117-F121 HydrophobicContact CD1-CE2 4.45Å; F117-F121 WeakPolarHBondContact O-CD2 3.48Å; F117-F121 PolarHBondContact O-N 2.85Å; F117-F121 VanDerWaalsContact O-N 3.16Å |
| 118 | Y | 98.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 80.5 Ų | 80.5 | 31% | 0.31 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 177.6 | -173.6 | -106.4 | 0 | 0 | 0 | 111.9 | A92 V95 I96 F114 G122 | A92-Y118 HydrophobicContact CB-CE1 3.93Å; V95-Y118 HydrophobicContact CB-CD1 4.49Å; V95-Y118 HydrophobicContact CB-CE1 4.49Å; V95-Y118 HydrophobicContact CG1-CD1 4.02Å; V95-Y118 HydrophobicContact CG1-CE1 4.43Å; I96-Y118 HydrophobicContact CG2-CD1 4.25Å; I96-Y118 HydrophobicContact CG2-CE1 3.51Å; F114-Y118 HydrophobicContact CE1-CD2 4.42Å; F114-Y118 HydrophobicContact CE1-CG 4.28Å; F114-Y118 HydrophobicContact CZ-CD2 4.09Å; F114-Y118 HydrophobicContact CZ-CG 4.35Å; F114-Y118 VanDerWaalsContact O-CB 3.3Å; F114-Y118 WeakPolarHBondContact O-CB 3.42Å; F114-Y118 PolarHBondContact O-N 3.38Å; Y118-G122 VanDerWaalsContact O-CA 3.29Å; Y118-G122 WeakPolarHBondContact O-CA 3.32Å; Y118-G122 PolarHBondContact O-N 3.16Å |
| 119 | G | 97.4 | Very high | 96.2 | Very high | 15 Ų | 15 | 81.7 Ų | 81.7 | 16% | 0.155 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C115 V116 F117 F121 G122 V123 | C115-G119 PolarHBondContact O-N 2.88Å; V116-G119 PolarHBondContact O-N 3.12Å; F117-G119 PolarHBondContact O-N 3.33Å; G119-F121 VanDerWaalsContact C-N 3.34Å; G119-F121 PolarHBondContact O-N 3.16Å; G119-G122 PolarHBondContact O-N 3.47Å; G119-V123 WeakPolarHBondContact O-CB 3.29Å; G119-V123 WeakPolarHBondContact O-CG2 3.25Å; G119-V123 PolarHBondContact O-N 3.25Å |
| 120 | L | 97.3 | Very high | 95.8 | Very high | 107 Ų | 107 | 77 Ų | 77 | 56% | 0.56 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -56.2 | -42.9 | -178.2 | -179.6 | 63.7 | 0 | 0 | 0 | 113.1 | V116 F117 P124 | V116-L120 WeakPolarHBondContact O-CB 3.42Å; V116-L120 PolarHBondContact O-N 3.38Å; F117-L120 PolarHBondContact O-N 2.94Å; L120-P124 WeakPolarHBondContact O-CD 3.2Å; L120-P124 WeakPolarHBondContact O-CG 3.49Å |
| 121 | F | 96.9 | Very high | 95.3 | Very high | 150 Ų | 150 | 75.2 Ų | 75.2 | 66% | 0.658 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -90.7 | -34.8 | 177.9 | -61 | -63.4 | 0 | 0 | 0 | 113.1 | F117 G119 L125 | F117-F121 HydrophobicContact CD1-CE2 4.45Å; F117-F121 WeakPolarHBondContact O-CD2 3.48Å; F117-F121 PolarHBondContact O-N 2.85Å; F117-F121 VanDerWaalsContact O-N 3.16Å; G119-F121 VanDerWaalsContact C-N 3.34Å; G119-F121 PolarHBondContact O-N 3.16Å; F121-L125 WeakPolarHBondContact O-CB 3.19Å; F121-L125 PolarHBondContact O-N 3.39Å |
| 122 | G | 97.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 77 Ų | 77 | 11% | 0.113 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72.8 | -40.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y118 G119 L125 C126 | Y118-G122 VanDerWaalsContact O-CA 3.29Å; Y118-G122 WeakPolarHBondContact O-CA 3.32Å; Y118-G122 PolarHBondContact O-N 3.16Å; G119-G122 PolarHBondContact O-N 3.47Å; G122-L125 PolarHBondContact O-N 3.03Å; G122-C126 WeakPolarHBondContact O-CB 3.1Å; G122-C126 PolarHBondContact O-N 3.45Å |
| 123 | V | 96.4 | Very high | 94.3 | Very high | 30 Ų | 30 | 72.6 Ų | 72.6 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.4 | -50.2 | -179.1 | 170.4 | 0 | 0 | 0 | 0 | 112.1 | T98 G119 L125 C126 L127 | T98-V123 HydrophobicContact CG2-CB 4.2Å; T98-V123 HydrophobicContact CG2-CG1 3.48Å; T98-V123 VanDerWaalsContact CG2-CG1 3.48Å; T98-V123 HydrophobicContact CG2-CG2 3.6Å; G119-V123 WeakPolarHBondContact O-CB 3.29Å; G119-V123 WeakPolarHBondContact O-CG2 3.25Å; G119-V123 PolarHBondContact O-N 3.25Å; V123-L125 VanDerWaalsContact C-N 3.31Å; V123-L125 PolarHBondContact O-N 3.05Å; V123-C126 PolarHBondContact O-N 2.86Å; V123-L127 HydrophobicContact CG1-CD1 3.97Å; V123-L127 HydrophobicContact CG1-CG 4.39Å; V123-L127 WeakPolarHBondContact O-CG 3.34Å; V123-L127 PolarHBondContact O-N 3.06Å |
| 124 | P | 96.2 | Very high | 93.6 | Very high | 73 Ų | 73 | 67.6 Ų | 67.6 | 47% | 0.474 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.5 | -42 | 175.2 | -25 | 35.3 | 0 | 0 | 0 | 112.7 | L120 L127 T128 | L120-P124 WeakPolarHBondContact O-CD 3.2Å; L120-P124 WeakPolarHBondContact O-CG 3.49Å; P124-L127 PolarHBondContact O-N 3.09Å; P124-T128 WeakPolarHBondContact O-CG2 3.34Å; P124-T128 PolarHBondContact O-N 3.39Å |
| 125 | L | 95.1 | Very high | 92.9 | Very high | 120 Ų | 120 | 68.1 Ų | 68.1 | 63% | 0.628 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.2 | -48.6 | 177.4 | -177.8 | 62.4 | 0 | 0 | 0 | 111.2 | F121 G122 V123 L127 T128 W129 | F121-L125 WeakPolarHBondContact O-CB 3.19Å; F121-L125 PolarHBondContact O-N 3.39Å; G122-L125 PolarHBondContact O-N 3.03Å; V123-L125 VanDerWaalsContact C-N 3.31Å; V123-L125 PolarHBondContact O-N 3.05Å; L125-L127 PolarHBondContact O-N 2.96Å; L125-T128 PolarHBondContact O-N 2.92Å; L125-T128 PolarHBondContact O-OG1 3.25Å; L125-W129 PolarHBondContact O-N 3.12Å |
| 126 | C | 93.7 | Very high | 92.2 | Very high | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.034 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 177.3 | -166.8 | 0 | 0 | 0 | 0 | 111.9 | I96 G122 V123 T128 W129 I130 | I96-C126 HydrophobicContact CB-CB 4.09Å; I96-C126 HydrophobicContact CD1-CB 4.41Å; I96-C126 HydrophobicContact CG1-CB 4.25Å; I96-C126 VanDerWaalsContact O-CB 3.24Å; I96-C126 WeakPolarHBondContact O-CB 3.24Å; G122-C126 WeakPolarHBondContact O-CB 3.1Å; G122-C126 PolarHBondContact O-N 3.45Å; V123-C126 PolarHBondContact O-N 2.86Å; C126-T128 VanDerWaalsContact C-N 3.34Å; C126-T128 PolarHBondContact O-N 3.35Å; C126-W129 PolarHBondContact O-N 2.93Å; C126-W129 VanDerWaalsContact O-N 3.15Å; C126-I130 WeakPolarHBondContact O-CB 3.18Å; C126-I130 WeakPolarHBondContact O-CG1 3.35Å; C126-I130 PolarHBondContact O-N 3.43Å; C126-I130 VanDerWaalsContact SG-CD1 3.59Å |
| 127 | L | 90 | Very high | 91.2 | Very high | 100 Ų | 100 | 70 Ų | 70 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 176.5 | -70.4 | 173 | 0 | 0 | 0 | 112.7 | V123 P124 L125 S131 | V123-L127 HydrophobicContact CG1-CD1 3.97Å; V123-L127 HydrophobicContact CG1-CG 4.39Å; V123-L127 WeakPolarHBondContact O-CG 3.34Å; V123-L127 PolarHBondContact O-N 3.06Å; P124-L127 PolarHBondContact O-N 3.09Å; L125-L127 PolarHBondContact O-N 2.96Å; L127-S131 VanDerWaalsContact O-CB 3.23Å; L127-S131 WeakPolarHBondContact O-CB 3.15Å; L127-S131 PolarHBondContact O-N 3.29Å |
| 128 | T | 91.6 | Very high | 90.3 | Very high | 91 Ų | 91 | 66 Ų | 66 | 56% | 0.558 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67 | -39.5 | 173.9 | 64.5 | 0 | 0 | 0 | 0 | 112.4 | P124 L125 C126 S131 A132 | P124-T128 WeakPolarHBondContact O-CG2 3.34Å; P124-T128 PolarHBondContact O-N 3.39Å; L125-T128 PolarHBondContact O-N 2.92Å; L125-T128 PolarHBondContact O-OG1 3.25Å; C126-T128 VanDerWaalsContact C-N 3.34Å; C126-T128 PolarHBondContact O-N 3.35Å; T128-S131 PolarHBondContact O-N 3.37Å; T128-A132 PolarHBondContact O-N 3.1Å |
| 129 | W | 92.3 | Very high | 89.5 | Confident | 111 Ų | 111 | 64.1 Ų | 64.1 | 42% | 0.42 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.1 | -47.9 | 176.9 | 175.9 | 66.5 | 0 | 0 | 0 | 112.2 | L125 C126 S131 A132 L133 Y232 | L125-W129 PolarHBondContact O-N 3.12Å; C126-W129 PolarHBondContact O-N 2.93Å; C126-W129 VanDerWaalsContact O-N 3.15Å; W129-S131 VanDerWaalsContact C-N 3.3Å; W129-S131 PolarHBondContact O-N 2.87Å; W129-A132 WeakPolarHBondContact O-CB 3.41Å; W129-A132 PolarHBondContact O-N 3.42Å; W129-A132 VanDerWaalsContact O-N 3.08Å; W129-L133 HydrophobicContact CD2-CD1 3.95Å; W129-L133 HydrophobicContact CE3-CD1 4.29Å; W129-L133 HydrophobicContact CH2-CD1 4.04Å; W129-L133 HydrophobicContact CZ2-CD1 3.67Å; W129-L133 HydrophobicContact CZ3-CD1 4.33Å; W129-L133 PolarHBondContact O-N 3.33Å; W129-Y232 HydrophobicContact CH2-CD1 4.02Å; W129-Y232 AromaticContact CH2-CD2 3.98Å; W129-Y232 HydrophobicContact CH2-CD2 3.98Å; W129-Y232 HydrophobicContact CH2-CE1 4.33Å; W129-Y232 HydrophobicContact CH2-CE2 4.31Å; W129-Y232 AromaticContact CH2-CG 3.84Å; W129-Y232 HydrophobicContact CH2-CG 3.84Å; W129-Y232 AromaticContact CZ3-CD1 3.72Å; W129-Y232 HydrophobicContact CZ3-CD1 3.72Å; W129-Y232 AromaticContact CZ3-CE1 3.96Å; W129-Y232 HydrophobicContact CZ3-CE1 3.96Å; W129-Y232 HydrophobicContact CZ3-CG 4.02Å |
| 130 | I | 88.6 | Confident | 88.7 | Confident | 14 Ų | 14 | 70.1 Ų | 70.1 | 7% | 0.072 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 174.1 | -70.1 | 168.8 | 0 | 0 | 0 | 110.5 | C126 A132 L133 G134 L235 | C126-I130 WeakPolarHBondContact O-CB 3.18Å; C126-I130 WeakPolarHBondContact O-CG1 3.35Å; C126-I130 PolarHBondContact O-N 3.43Å; C126-I130 VanDerWaalsContact SG-CD1 3.59Å; I130-A132 PolarHBondContact O-N 2.98Å; I130-L133 PolarHBondContact O-N 3.12Å; I130-G134 PolarHBondContact O-N 2.97Å; I130-L235 HydrophobicContact CD1-CB 4.11Å; I130-L235 HydrophobicContact CD1-CD1 4.12Å; I130-L235 HydrophobicContact CG2-CB 4.41Å |
| 131 | S | 86.1 | Confident | 87.7 | Confident | 35 Ų | 35 | 66.3 Ų | 66.3 | 25% | 0.245 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 175.2 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | L127 T128 W129 K135 | L127-S131 VanDerWaalsContact O-CB 3.23Å; L127-S131 WeakPolarHBondContact O-CB 3.15Å; L127-S131 PolarHBondContact O-N 3.29Å; T128-S131 PolarHBondContact O-N 3.37Å; W129-S131 VanDerWaalsContact C-N 3.3Å; W129-S131 PolarHBondContact O-N 2.87Å; S131-K135 WeakPolarHBondContact O-CG 3.37Å; S131-K135 PolarHBondContact O-N 2.54Å |
| 132 | A | 88.3 | Confident | 86.8 | Confident | 57 Ų | 57 | 66.2 Ų | 66.2 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.8 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T128 W129 I130 G134 K135 F136 | T128-A132 PolarHBondContact O-N 3.1Å; W129-A132 WeakPolarHBondContact O-CB 3.41Å; W129-A132 PolarHBondContact O-N 3.42Å; W129-A132 VanDerWaalsContact O-N 3.08Å; I130-A132 PolarHBondContact O-N 2.98Å; A132-G134 VanDerWaalsContact C-N 3.34Å; A132-G134 PolarHBondContact O-N 2.9Å; A132-K135 PolarHBondContact O-N 3.22Å; A132-F136 PolarHBondContact O-N 2.61Å |
| 133 | L | 85.9 | Confident | 86 | Confident | 49 Ų | 49 | 74 Ų | 74 | 26% | 0.257 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 172.3 | -72.5 | 176.6 | 0 | 0 | 0 | 111.4 | W129 I130 K135 F136 F137 A236 | W129-L133 HydrophobicContact CD2-CD1 3.95Å; W129-L133 HydrophobicContact CE3-CD1 4.29Å; W129-L133 HydrophobicContact CH2-CD1 4.04Å; W129-L133 HydrophobicContact CZ2-CD1 3.67Å; W129-L133 HydrophobicContact CZ3-CD1 4.33Å; W129-L133 PolarHBondContact O-N 3.33Å; I130-L133 PolarHBondContact O-N 3.12Å; L133-K135 PolarHBondContact O-N 2.76Å; L133-F136 WeakPolarHBondContact O-CB 3.4Å; L133-F136 PolarHBondContact O-N 3.28Å; L133-F136 VanDerWaalsContact O-N 3.13Å; L133-F137 WeakPolarHBondContact O-CD2 3.45Å; L133-F137 PolarHBondContact O-N 3.12Å; L133-A236 HydrophobicContact CB-CB 3.88Å |
| 134 | G | 82.8 | Confident | 85.1 | Confident | 2 Ų | 2 | 76.9 Ų | 76.9 | 2% | 0.021 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -54.6 | -52.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I130 A132 F136 F137 G138 L240 | I130-G134 PolarHBondContact O-N 2.97Å; A132-G134 VanDerWaalsContact C-N 3.34Å; A132-G134 PolarHBondContact O-N 2.9Å; G134-F136 VanDerWaalsContact C-N 3.27Å; G134-F136 PolarHBondContact O-N 2.83Å; G134-F137 PolarHBondContact O-N 3.35Å; G134-G138 PolarHBondContact O-N 2.65Å; G134-L240 VanDerWaalsContact O-CD1 3.25Å; G134-L240 WeakPolarHBondContact O-CD1 3.29Å; G134-L240 VanDerWaalsContact O-CD2 3.25Å; G134-L240 WeakPolarHBondContact O-CD2 3.4Å; G134-L240 VanDerWaalsContact O-CG 3.3Å; G134-L240 WeakPolarHBondContact O-CG 3.45Å |
| 135 | K | 82.6 | Confident | 84.2 | Confident | 148 Ų | 148 | 73.9 Ų | 73.9 | 64% | 0.643 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -57.3 | -37.5 | 176.2 | -72.5 | 167.2 | -173.4 | 168.7 | 0 | 112.9 | S131 A132 L133 G138 G139 | S131-K135 WeakPolarHBondContact O-CG 3.37Å; S131-K135 PolarHBondContact O-N 2.54Å; A132-K135 PolarHBondContact O-N 3.22Å; L133-K135 PolarHBondContact O-N 2.76Å; K135-G138 PolarHBondContact O-N 3Å; K135-G139 PolarHBondContact O-N 2.68Å |
| 136 | F | 83.1 | Confident | 83.6 | Confident | 110 Ų | 110 | 73.5 Ų | 73.5 | 48% | 0.482 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.4 | -50.3 | 175.2 | 173.8 | -93.4 | 0 | 0 | 0 | 112 | A132 L133 G134 G138 G139 R140 | A132-F136 PolarHBondContact O-N 2.61Å; L133-F136 WeakPolarHBondContact O-CB 3.4Å; L133-F136 PolarHBondContact O-N 3.28Å; L133-F136 VanDerWaalsContact O-N 3.13Å; G134-F136 VanDerWaalsContact C-N 3.27Å; G134-F136 PolarHBondContact O-N 2.83Å; F136-G138 VanDerWaalsContact C-N 3.34Å; F136-G138 PolarHBondContact O-N 3.3Å; F136-G139 PolarHBondContact O-N 2.78Å; F136-R140 PolarHBondContact O-N 2.86Å; F136-R140 VanDerWaalsContact O-N 3.11Å |
| 137 | F | 78.6 | Confident | 83 | Confident | 55 Ų | 55 | 78.3 Ų | 78.3 | 24% | 0.241 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 175.1 | -73.9 | -67.3 | 0 | 0 | 0 | 112.2 | L133 G134 G139 R140 A141 L233 A236 L240 | L133-F137 WeakPolarHBondContact O-CD2 3.45Å; L133-F137 PolarHBondContact O-N 3.12Å; G134-F137 PolarHBondContact O-N 3.35Å; F137-G139 VanDerWaalsContact C-N 3.3Å; F137-G139 PolarHBondContact O-N 2.97Å; F137-R140 WeakPolarHBondContact O-CB 3.17Å; F137-R140 PolarHBondContact O-N 3.24Å; F137-R140 VanDerWaalsContact O-N 3.12Å; F137-A141 PolarHBondContact O-N 3.12Å; F137-L233 HydrophobicContact CE2-CD2 4.05Å; F137-L233 HydrophobicContact CZ-CD2 3.58Å; F137-A236 HydrophobicContact CD2-CB 4.22Å; F137-A236 HydrophobicContact CE2-CB 4.17Å; F137-L240 HydrophobicContact CB-CD1 3.67Å |
| 138 | G | 78.7 | Confident | 82.6 | Confident | 24 Ų | 24 | 75.7 Ų | 75.7 | 25% | 0.247 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61 | -37.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G134 K135 F136 A141 K142 | G134-G138 PolarHBondContact O-N 2.65Å; K135-G138 PolarHBondContact O-N 3Å; F136-G138 VanDerWaalsContact C-N 3.34Å; F136-G138 PolarHBondContact O-N 3.3Å; G138-A141 PolarHBondContact O-N 2.85Å; G138-K142 WeakPolarHBondContact O-CB 3.28Å; G138-K142 PolarHBondContact O-N 3.19Å |
| 139 | G | 80.4 | Confident | 82.2 | Confident | 40 Ų | 40 | 73.7 Ų | 73.7 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K135 F136 F137 K142 R143 | K135-G139 PolarHBondContact O-N 2.68Å; F136-G139 PolarHBondContact O-N 2.78Å; F137-G139 VanDerWaalsContact C-N 3.3Å; F137-G139 PolarHBondContact O-N 2.97Å; G139-K142 PolarHBondContact O-N 2.94Å; G139-R143 PolarHBondContact O-N 2.94Å |
| 140 | R | 80.2 | Confident | 81.8 | Confident | 140 Ų | 140 | 77.3 Ų | 77.3 | 53% | 0.528 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66 | -45.2 | 174.3 | -60.4 | -60.9 | -179.5 | 104.9 | -7 | 111.5 | F136 F137 K142 R143 L144 | F136-R140 PolarHBondContact O-N 2.86Å; F136-R140 VanDerWaalsContact O-N 3.11Å; F137-R140 WeakPolarHBondContact O-CB 3.17Å; F137-R140 PolarHBondContact O-N 3.24Å; F137-R140 VanDerWaalsContact O-N 3.12Å; R140-K142 VanDerWaalsContact C-N 3.33Å; R140-K142 PolarHBondContact O-N 3.29Å; R140-R143 WeakPolarHBondContact O-CB 3.46Å; R140-R143 PolarHBondContact O-N 3.45Å; R140-L144 PolarHBondContact O-N 3.1Å |
| 141 | A | 76.8 | Confident | 81.6 | Confident | 27 Ų | 27 | 85.7 Ų | 85.7 | 22% | 0.223 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F137 G138 L144 G145 F166 | F137-A141 PolarHBondContact O-N 3.12Å; G138-A141 PolarHBondContact O-N 2.85Å; A141-L144 WeakPolarHBondContact O-CB 3.39Å; A141-L144 PolarHBondContact O-N 2.85Å; A141-G145 PolarHBondContact O-N 3.1Å; A141-F166 HydrophobicContact CB-CD2 4.41Å |
| 142 | K | 77.9 | Confident | 81.4 | Confident | 148 Ų | 148 | 87.4 Ų | 87.4 | 64% | 0.643 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.7 | -39.6 | 174.5 | -172.2 | 176 | -179.1 | 180 | 0 | 112.4 | G138 G139 R140 G145 Q146 | G138-K142 WeakPolarHBondContact O-CB 3.28Å; G138-K142 PolarHBondContact O-N 3.19Å; G139-K142 PolarHBondContact O-N 2.94Å; R140-K142 VanDerWaalsContact C-N 3.33Å; R140-K142 PolarHBondContact O-N 3.29Å; K142-G145 PolarHBondContact O-N 3.47Å; K142-Q146 WeakPolarHBondContact O-CG 3.46Å; K142-Q146 PolarHBondContact O-N 3.28Å |
| 143 | R | 80.9 | Confident | 81 | Confident | 174 Ų | 174 | 87.3 Ų | 87.3 | 66% | 0.657 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.3 | -40.1 | 174.6 | -170.9 | -178.6 | -70.2 | -175.8 | -3.2 | 111.5 | G139 R140 Q146 F147 | G139-R143 PolarHBondContact O-N 2.94Å; R140-R143 WeakPolarHBondContact O-CB 3.46Å; R140-R143 PolarHBondContact O-N 3.45Å; R143-Q146 PolarHBondContact O-N 3.39Å; R143-F147 PolarHBondContact O-N 3.41Å |
| 144 | L | 77.2 | Confident | 80.9 | Confident | 91 Ų | 91 | 88.2 Ų | 88.2 | 48% | 0.476 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 173.2 | -174.1 | 63.3 | 0 | 0 | 0 | 111.8 | R140 A141 Q146 F147 L148 | R140-L144 PolarHBondContact O-N 3.1Å; A141-L144 WeakPolarHBondContact O-CB 3.39Å; A141-L144 PolarHBondContact O-N 2.85Å; L144-Q146 PolarHBondContact O-N 2.92Å; L144-F147 WeakPolarHBondContact O-CB 3.32Å; L144-F147 PolarHBondContact O-N 3.43Å; L144-F147 VanDerWaalsContact O-N 3.17Å; L144-L148 PolarHBondContact O-N 2.94Å |
| 145 | G | 78.2 | Confident | 80.6 | Confident | 10 Ų | 10 | 93.6 Ų | 93.6 | 10% | 0.103 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | A141 K142 L148 T149 C162 | A141-G145 PolarHBondContact O-N 3.1Å; K142-G145 PolarHBondContact O-N 3.47Å; G145-L148 PolarHBondContact O-N 3.35Å; G145-T149 WeakPolarHBondContact O-CB 3.03Å; G145-T149 PolarHBondContact O-N 3.02Å; G145-T149 PolarHBondContact O-OG1 2.91Å; G145-C162 WeakPolarHBondContact CA-SG 3.48Å |
| 146 | Q | 81.5 | Confident | 80.4 | Confident | 113 Ų | 113 | 96.3 Ų | 96.3 | 53% | 0.528 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 171.4 | -72.6 | 174.2 | -28.7 | 0 | 0 | 111.7 | K142 R143 L144 T149 K150 | K142-Q146 WeakPolarHBondContact O-CG 3.46Å; K142-Q146 PolarHBondContact O-N 3.28Å; R143-Q146 PolarHBondContact O-N 3.39Å; L144-Q146 PolarHBondContact O-N 2.92Å; Q146-T149 PolarHBondContact O-N 3.43Å; Q146-K150 WeakPolarHBondContact O-CG 3.16Å; Q146-K150 PolarHBondContact O-N 3.48Å |
| 147 | F | 82.6 | Confident | 80.2 | Confident | 106 Ų | 106 | 97.8 Ų | 97.8 | 47% | 0.465 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 174.4 | -179.1 | -95.4 | 0 | 0 | 0 | 112.4 | R143 L144 T149 K150 R151 | R143-F147 PolarHBondContact O-N 3.41Å; L144-F147 WeakPolarHBondContact O-CB 3.32Å; L144-F147 PolarHBondContact O-N 3.43Å; L144-F147 VanDerWaalsContact O-N 3.17Å; F147-T149 VanDerWaalsContact C-N 3.34Å; F147-T149 PolarHBondContact O-N 3.28Å; F147-K150 WeakPolarHBondContact O-CB 3.26Å; F147-K150 PolarHBondContact O-N 3.12Å; F147-R151 PolarHBondContact O-N 2.83Å |
| 148 | L | 80.4 | Confident | 80.2 | Confident | 45 Ų | 45 | 95.2 Ų | 95.2 | 24% | 0.236 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65.9 | -35 | 174.4 | -68 | 178.5 | 0 | 0 | 0 | 112.7 | L144 G145 R151 | L144-L148 PolarHBondContact O-N 2.94Å; G145-L148 PolarHBondContact O-N 3.35Å; L148-R151 PolarHBondContact O-N 3.37Å; L148-R151 VanDerWaalsContact O-N 3.15Å |
| 149 | T | 82.6 | Confident | 80.2 | Confident | 48 Ų | 48 | 99.5 Ų | 99.5 | 29% | 0.294 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 173.9 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | G145 Q146 F147 R151 G152 L155 A158 | G145-T149 WeakPolarHBondContact O-CB 3.03Å; G145-T149 PolarHBondContact O-N 3.02Å; G145-T149 PolarHBondContact O-OG1 2.91Å; Q146-T149 PolarHBondContact O-N 3.43Å; F147-T149 VanDerWaalsContact C-N 3.34Å; F147-T149 PolarHBondContact O-N 3.28Å; T149-R151 PolarHBondContact O-N 3.45Å; T149-G152 PolarHBondContact O-N 3.39Å; T149-L155 HydrophobicContact CG2-CB 4.39Å; T149-A158 WeakPolarHBondContact OG1-CB 3.11Å |
| 150 | K | 83.5 | Confident | 80.2 | Confident | 187 Ų | 187 | 103 Ų | 103 | 81% | 0.813 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.5 | -24.4 | 173 | -75.6 | -178.6 | 171.4 | -172.1 | 0 | 113.4 | Q146 F147 G152 | Q146-K150 WeakPolarHBondContact O-CG 3.16Å; Q146-K150 PolarHBondContact O-N 3.48Å; F147-K150 WeakPolarHBondContact O-CB 3.26Å; F147-K150 PolarHBondContact O-N 3.12Å; K150-G152 PolarHBondContact O-N 3.16Å |
| 151 | R | 84.4 | Confident | 80.4 | Confident | 191 Ų | 191 | 99.4 Ų | 99.4 | 72% | 0.721 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 15 | 172.4 | -79.2 | -173.9 | 162.9 | -178.9 | -4.5 | 114.2 | F147 L148 T149 | F147-R151 PolarHBondContact O-N 2.83Å; L148-R151 PolarHBondContact O-N 3.37Å; L148-R151 VanDerWaalsContact O-N 3.15Å; T149-R151 PolarHBondContact O-N 3.45Å |
| 152 | G | 82.4 | Confident | 80.6 | Confident | 71 Ų | 71 | 98.8 Ų | 98.8 | 73% | 0.732 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | 2.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | T149 K150 | T149-G152 PolarHBondContact O-N 3.39Å; K150-G152 PolarHBondContact O-N 3.16Å |
| 153 | V | 80.3 | Confident | 80.7 | Confident | 55 Ų | 55 | 93.1 Ų | 93.1 | 33% | 0.333 | 46% | 0.457 | S | S | . | . | trans | -74.5 | 131 | 173.9 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | K157 A158 | V153-K157 HydrophobicContact CG1-CB 3.91Å; V153-A158 HydrophobicContact CB-CB 4.18Å; V153-A158 HydrophobicContact CG1-CB 3.87Å | ||
| 154 | S | 84.1 | Confident | 80.9 | Confident | 67 Ų | 67 | 88.6 Ų | 88.6 | 47% | 0.469 | 45% | 0.449 | S | S | . | . | trans | -63.7 | 140 | 180 | 72.8 | 0 | 0 | 0 | 0 | 112 | R156 K157 A158 | S154-R156 VanDerWaalsContact C-N 3.28Å; S154-R156 PolarHBondContact O-N 3.17Å; S154-K157 WeakPolarHBondContact O-CA 3.22Å; S154-K157 WeakPolarHBondContact O-CB 3.19Å; S154-K157 PolarHBondContact O-N 3.32Å; S154-K157 WeakPolarHBondContact OG-CG 3.21Å; S154-A158 PolarHBondContact O-N 3.12Å | ||
| 155 | L | 77.1 | Confident | 81.4 | Confident | 116 Ų | 116 | 88.3 Ų | 88.3 | 61% | 0.607 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -53.2 | -37.9 | -166 | -172.4 | 143.4 | 0 | 0 | 0 | 114.5 | T149 Q159 | T149-L155 HydrophobicContact CG2-CB 4.39Å; L155-Q159 WeakPolarHBondContact O-CB 3.48Å; L155-Q159 PolarHBondContact O-N 2.95Å |
| 156 | R | 77 | Confident | 81.8 | Confident | 204 Ų | 204 | 89.8 Ų | 89.8 | 77% | 0.77 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -69.7 | -41.3 | 174.6 | -63.8 | -170.5 | -163.7 | 163.8 | 9 | 113.1 | S154 I160 | S154-R156 VanDerWaalsContact C-N 3.28Å; S154-R156 PolarHBondContact O-N 3.17Å; R156-I160 VanDerWaalsContact O-CG1 3.32Å; R156-I160 WeakPolarHBondContact O-CG1 3.03Å; R156-I160 PolarHBondContact O-N 2.97Å; R156-I160 VanDerWaalsContact O-N 3.12Å |
| 157 | K | 79.9 | Confident | 82.1 | Confident | 142 Ų | 142 | 86.5 Ų | 86.5 | 62% | 0.617 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.2 | -46.2 | 176.4 | -70.9 | -175 | 178.4 | -174.9 | 0 | 109.7 | V153 S154 Q159 I160 T161 | V153-K157 HydrophobicContact CG1-CB 3.91Å; S154-K157 WeakPolarHBondContact O-CA 3.22Å; S154-K157 WeakPolarHBondContact O-CB 3.19Å; S154-K157 PolarHBondContact O-N 3.32Å; S154-K157 WeakPolarHBondContact OG-CG 3.21Å; K157-Q159 PolarHBondContact O-N 3.42Å; K157-I160 PolarHBondContact O-N 3.25Å; K157-T161 WeakPolarHBondContact O-CB 3.48Å; K157-T161 PolarHBondContact O-N 2.95Å; K157-T161 PolarHBondContact O-OG1 3.08Å |
| 158 | A | 78.5 | Confident | 82.5 | Confident | 1 Ų | 1 | 85.2 Ų | 85.2 | 1% | 0.008 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T149 V153 S154 T161 C162 | T149-A158 WeakPolarHBondContact OG1-CB 3.11Å; V153-A158 HydrophobicContact CB-CB 4.18Å; V153-A158 HydrophobicContact CG1-CB 3.87Å; S154-A158 PolarHBondContact O-N 3.12Å; A158-T161 PolarHBondContact O-N 3.06Å; A158-C162 WeakPolarHBondContact O-CB 3.45Å; A158-C162 PolarHBondContact O-N 2.98Å; A158-C162 PolarHBondContact O-SG 3.48Å |
| 159 | Q | 78.1 | Confident | 83 | Confident | 114 Ų | 114 | 89 Ų | 89 | 53% | 0.533 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 177.1 | -175.6 | 176.7 | -14.1 | 0 | 0 | 112.1 | L155 K157 C162 T163 | L155-Q159 WeakPolarHBondContact O-CB 3.48Å; L155-Q159 PolarHBondContact O-N 2.95Å; K157-Q159 PolarHBondContact O-N 3.42Å; Q159-C162 PolarHBondContact O-N 2.95Å; Q159-T163 PolarHBondContact O-N 3.15Å; Q159-T163 VanDerWaalsContact O-N 3.08Å; Q159-T163 PolarHBondContact O-OG1 3.15Å |
| 160 | I | 80.6 | Confident | 83.5 | Confident | 113 Ų | 113 | 86.7 Ų | 86.7 | 58% | 0.579 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.4 | -46.5 | 178 | -66.4 | 166.5 | 0 | 0 | 0 | 110.7 | R156 K157 C162 T163 V164 | R156-I160 VanDerWaalsContact O-CG1 3.32Å; R156-I160 WeakPolarHBondContact O-CG1 3.03Å; R156-I160 PolarHBondContact O-N 2.97Å; R156-I160 VanDerWaalsContact O-N 3.12Å; K157-I160 PolarHBondContact O-N 3.25Å; I160-C162 PolarHBondContact O-N 3.1Å; I160-T163 PolarHBondContact O-N 3.21Å; I160-T163 VanDerWaalsContact O-N 3.16Å; I160-V164 HydrophobicContact CG2-CG2 4.37Å; I160-V164 WeakPolarHBondContact O-CG2 3.38Å; I160-V164 PolarHBondContact O-N 3.42Å |
| 161 | T | 83.6 | Confident | 84 | Confident | 64 Ų | 64 | 80.2 Ų | 80.2 | 39% | 0.393 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 178.9 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | K157 A158 T163 V164 I165 | K157-T161 WeakPolarHBondContact O-CB 3.48Å; K157-T161 PolarHBondContact O-N 2.95Å; K157-T161 PolarHBondContact O-OG1 3.08Å; A158-T161 PolarHBondContact O-N 3.06Å; T161-T163 VanDerWaalsContact C-N 3.34Å; T161-T163 PolarHBondContact O-N 2.67Å; T161-V164 PolarHBondContact O-N 3.47Å; T161-I165 HydrophobicContact CG2-CD1 3.79Å; T161-I165 HydrophobicContact CG2-CG1 4.45Å; T161-I165 WeakPolarHBondContact O-CB 3.49Å; T161-I165 VanDerWaalsContact O-CG1 3.26Å; T161-I165 WeakPolarHBondContact O-CG1 3.47Å; T161-I165 PolarHBondContact O-N 2.98Å |
| 162 | C | 81.6 | Confident | 84.5 | Confident | 14 Ų | 14 | 74.8 Ų | 74.8 | 10% | 0.095 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 174.6 | -77.7 | 0 | 0 | 0 | 0 | 113 | G145 A158 Q159 I160 I165 F166 | G145-C162 WeakPolarHBondContact CA-SG 3.48Å; A158-C162 WeakPolarHBondContact O-CB 3.45Å; A158-C162 PolarHBondContact O-N 2.98Å; A158-C162 PolarHBondContact O-SG 3.48Å; Q159-C162 PolarHBondContact O-N 2.95Å; I160-C162 PolarHBondContact O-N 3.1Å; C162-I165 PolarHBondContact O-N 3.36Å; C162-F166 VanDerWaalsContact O-CB 3.31Å; C162-F166 WeakPolarHBondContact O-CB 3.31Å; C162-F166 PolarHBondContact O-N 3.18Å |
| 163 | T | 80.5 | Confident | 85.1 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 177 | -59 | 0 | 0 | 0 | 0 | 112 | Q159 I160 T161 F166 I167 W244 | Q159-T163 PolarHBondContact O-N 3.15Å; Q159-T163 VanDerWaalsContact O-N 3.08Å; Q159-T163 PolarHBondContact O-OG1 3.15Å; I160-T163 PolarHBondContact O-N 3.21Å; I160-T163 VanDerWaalsContact O-N 3.16Å; T161-T163 VanDerWaalsContact C-N 3.34Å; T161-T163 PolarHBondContact O-N 2.67Å; T163-F166 PolarHBondContact O-N 3.42Å; T163-I167 HydrophobicContact CG2-CD1 3.84Å; T163-I167 HydrophobicContact CG2-CG1 4.39Å; T163-I167 WeakPolarHBondContact O-CG1 3.42Å; T163-I167 PolarHBondContact O-N 2.96Å; T163-W244 HydrophobicContact CG2-CD2 3.83Å; T163-W244 HydrophobicContact CG2-CE3 4.12Å; T163-W244 HydrophobicContact CG2-CG 4.47Å; T163-W244 HydrophobicContact CG2-CH2 3.85Å; T163-W244 HydrophobicContact CG2-CZ2 3.56Å; T163-W244 HydrophobicContact CG2-CZ3 4.13Å |
| 164 | V | 85.7 | Confident | 85.9 | Confident | 80 Ų | 80 | 71 Ų | 71 | 49% | 0.485 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 174.6 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | I160 T161 F166 I167 V168 | I160-V164 HydrophobicContact CG2-CG2 4.37Å; I160-V164 WeakPolarHBondContact O-CG2 3.38Å; I160-V164 PolarHBondContact O-N 3.42Å; T161-V164 PolarHBondContact O-N 3.47Å; V164-F166 VanDerWaalsContact C-N 3.3Å; V164-F166 PolarHBondContact O-N 3.07Å; V164-I167 PolarHBondContact O-N 3.34Å; V164-V168 HydrophobicContact CG1-CG2 4.29Å; V164-V168 WeakPolarHBondContact O-CB 3.48Å; V164-V168 VanDerWaalsContact O-CG2 3.31Å; V164-V168 WeakPolarHBondContact O-CG2 3.47Å; V164-V168 PolarHBondContact O-N 2.8Å |
| 165 | I | 87.3 | Confident | 86.4 | Confident | 85 Ų | 85 | 69.5 Ų | 69.5 | 44% | 0.436 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.8 | -43.3 | 175.7 | -69.7 | 167.1 | 0 | 0 | 0 | 111 | T161 C162 W169 | T161-I165 HydrophobicContact CG2-CD1 3.79Å; T161-I165 HydrophobicContact CG2-CG1 4.45Å; T161-I165 WeakPolarHBondContact O-CB 3.49Å; T161-I165 VanDerWaalsContact O-CG1 3.26Å; T161-I165 WeakPolarHBondContact O-CG1 3.47Å; T161-I165 PolarHBondContact O-N 2.98Å; C162-I165 PolarHBondContact O-N 3.36Å; I165-W169 WeakPolarHBondContact O-CB 3.27Å; I165-W169 PolarHBondContact O-N 3.46Å |
| 166 | F | 85.8 | Confident | 87.4 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 18% | 0.18 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68 | -36.7 | -179.8 | -175.6 | -97.7 | 0 | 0 | 0 | 113.4 | A141 C162 T163 V164 W169 G170 W237 L240 | A141-F166 HydrophobicContact CB-CD2 4.41Å; C162-F166 VanDerWaalsContact O-CB 3.31Å; C162-F166 WeakPolarHBondContact O-CB 3.31Å; C162-F166 PolarHBondContact O-N 3.18Å; T163-F166 PolarHBondContact O-N 3.42Å; V164-F166 VanDerWaalsContact C-N 3.3Å; V164-F166 PolarHBondContact O-N 3.07Å; F166-W169 HydrophobicContact CE2-CE3 4.43Å; F166-W169 HydrophobicContact CE2-CZ3 4.41Å; F166-G170 PolarHBondContact O-N 2.81Å; F166-G170 VanDerWaalsContact O-N 3.09Å; F166-W237 AromaticContact CD1-NE1 3.87Å; F166-W237 AromaticContact CE1-CD1 3.31Å; F166-W237 HydrophobicContact CE1-CG 4.34Å; F166-W237 AromaticContact CE1-NE1 3.53Å; F166-W237 AromaticContact CZ-CD1 3.37Å; F166-W237 HydrophobicContact CZ-CG 4.35Å; F166-W237 PolarHBondContact O-NE1 3.46Å; F166-L240 HydrophobicContact CE1-CB 4.07Å; F166-L240 HydrophobicContact CE1-CD1 3.78Å; F166-L240 HydrophobicContact CE2-CD1 4.26Å; F166-L240 HydrophobicContact CZ-CB 4.4Å; F166-L240 HydrophobicContact CZ-CD1 3.36Å |
| 167 | I | 87.8 | Confident | 88.3 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 23% | 0.226 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.8 | -49.6 | 174.7 | -68.3 | 168 | 0 | 0 | 0 | 110 | T163 V164 W169 G170 V171 F241 W244 | T163-I167 HydrophobicContact CG2-CD1 3.84Å; T163-I167 HydrophobicContact CG2-CG1 4.39Å; T163-I167 WeakPolarHBondContact O-CG1 3.42Å; T163-I167 PolarHBondContact O-N 2.96Å; V164-I167 PolarHBondContact O-N 3.34Å; I167-W169 PolarHBondContact O-N 3.34Å; I167-G170 PolarHBondContact O-N 3.03Å; I167-V171 HydrophobicContact CG2-CG2 4.43Å; I167-V171 WeakPolarHBondContact O-CG2 3.4Å; I167-V171 PolarHBondContact O-N 3.43Å; I167-F241 HydrophobicContact CD1-CD2 4.37Å; I167-F241 HydrophobicContact CD1-CE2 4.33Å; I167-F241 HydrophobicContact CG1-CD2 4.34Å; I167-W244 HydrophobicContact CD1-CE3 4.12Å; I167-W244 HydrophobicContact CD1-CH2 4.23Å; I167-W244 HydrophobicContact CD1-CZ3 3.65Å |
| 168 | V | 91.4 | Very high | 89.2 | Confident | 78 Ų | 78 | 54.4 Ų | 54.4 | 47% | 0.473 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 178.9 | 171.7 | 0 | 0 | 0 | 0 | 111 | V164 G170 V171 L172 | V164-V168 HydrophobicContact CG1-CG2 4.29Å; V164-V168 WeakPolarHBondContact O-CB 3.48Å; V164-V168 VanDerWaalsContact O-CG2 3.31Å; V164-V168 WeakPolarHBondContact O-CG2 3.47Å; V164-V168 PolarHBondContact O-N 2.8Å; V168-G170 PolarHBondContact O-N 2.87Å; V168-V171 PolarHBondContact O-N 3.23Å; V168-L172 HydrophobicContact CG1-CD1 4.02Å; V168-L172 HydrophobicContact CG1-CG 4.49Å; V168-L172 WeakPolarHBondContact O-CB 3.42Å; V168-L172 VanDerWaalsContact O-CG 3.31Å; V168-L172 WeakPolarHBondContact O-CG 3.38Å; V168-L172 PolarHBondContact O-N 3.17Å |
| 169 | W | 91.4 | Very high | 90.1 | Very high | 125 Ų | 125 | 54.3 Ų | 54.3 | 47% | 0.473 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.3 | -46.3 | 175.7 | 174.7 | 80.5 | 0 | 0 | 0 | 112.1 | I165 F166 I167 L172 V173 | I165-W169 WeakPolarHBondContact O-CB 3.27Å; I165-W169 PolarHBondContact O-N 3.46Å; F166-W169 HydrophobicContact CE2-CE3 4.43Å; F166-W169 HydrophobicContact CE2-CZ3 4.41Å; I167-W169 PolarHBondContact O-N 3.34Å; W169-L172 PolarHBondContact O-N 3.46Å; W169-V173 HydrophobicContact CD2-CG2 4.3Å; W169-V173 HydrophobicContact CZ2-CG1 4.49Å; W169-V173 HydrophobicContact CZ2-CG2 4.06Å; W169-V173 WeakPolarHBondContact O-CB 3.44Å; W169-V173 WeakPolarHBondContact O-CG2 3.43Å; W169-V173 PolarHBondContact O-N 3.32Å |
| 170 | G | 91.8 | Very high | 91 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.7 | -37 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F166 I167 V168 L172 V173 H174 | F166-G170 PolarHBondContact O-N 2.81Å; F166-G170 VanDerWaalsContact O-N 3.09Å; I167-G170 PolarHBondContact O-N 3.03Å; V168-G170 PolarHBondContact O-N 2.87Å; G170-L172 VanDerWaalsContact C-N 3.34Å; G170-V173 PolarHBondContact O-N 2.85Å; G170-H174 WeakPolarHBondContact O-CB 3.43Å; G170-H174 PolarHBondContact O-N 3.41Å; G170-H174 PolarHBondContact O-ND1 2.94Å |
| 171 | V | 93.9 | Very high | 91.7 | Very high | 51 Ų | 51 | 52.4 Ų | 52.4 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 171.7 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | I167 V168 L175 V176 W237 | I167-V171 HydrophobicContact CG2-CG2 4.43Å; I167-V171 WeakPolarHBondContact O-CG2 3.4Å; I167-V171 PolarHBondContact O-N 3.43Å; V168-V171 PolarHBondContact O-N 3.23Å; V171-L175 WeakPolarHBondContact O-CA 3.48Å; V171-L175 WeakPolarHBondContact O-CB 3.46Å; V171-L175 PolarHBondContact O-N 2.91Å; V171-V176 HydrophobicContact CG1-CG2 4.18Å; V171-V176 PolarHBondContact O-N 3.24Å; V171-V176 VanDerWaalsContact O-N 3.12Å; V171-W237 HydrophobicContact CG2-CH2 4.15Å; V171-W237 HydrophobicContact CG2-CZ2 4.28Å |
| 172 | L | 96 | Very high | 92.3 | Very high | 76 Ų | 76 | 49.6 Ų | 49.6 | 40% | 0.398 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -62 | -51.1 | 175.7 | -72.1 | 171.8 | 0 | 0 | 0 | 111.7 | V168 W169 G170 V176 I177 | V168-L172 HydrophobicContact CG1-CD1 4.02Å; V168-L172 HydrophobicContact CG1-CG 4.49Å; V168-L172 WeakPolarHBondContact O-CB 3.42Å; V168-L172 VanDerWaalsContact O-CG 3.31Å; V168-L172 WeakPolarHBondContact O-CG 3.38Å; V168-L172 PolarHBondContact O-N 3.17Å; W169-L172 PolarHBondContact O-N 3.46Å; G170-L172 VanDerWaalsContact C-N 3.34Å; L172-V176 HydrophobicContact CD2-CB 4.07Å; L172-V176 HydrophobicContact CD2-CG1 4.21Å; L172-V176 HydrophobicContact CD2-CG2 4.21Å; L172-V176 PolarHBondContact O-N 2.92Å; L172-I177 HydrophobicContact CB-CD1 4.33Å; L172-I177 WeakPolarHBondContact O-CB 3.11Å; L172-I177 VanDerWaalsContact O-CG1 3.3Å; L172-I177 WeakPolarHBondContact O-CG1 3.3Å; L172-I177 PolarHBondContact O-N 2.96Å |
| 173 | V | 95.6 | Very high | 93 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 27% | 0.267 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -72.4 | -29 | -174.1 | 171.9 | 0 | 0 | 0 | 0 | 113.8 | W169 G170 P178 W230 | W169-V173 HydrophobicContact CD2-CG2 4.3Å; W169-V173 HydrophobicContact CZ2-CG1 4.49Å; W169-V173 HydrophobicContact CZ2-CG2 4.06Å; W169-V173 WeakPolarHBondContact O-CB 3.44Å; W169-V173 WeakPolarHBondContact O-CG2 3.43Å; W169-V173 PolarHBondContact O-N 3.32Å; G170-V173 PolarHBondContact O-N 2.85Å; V173-P178 VanDerWaalsContact O-CD 3.31Å; V173-P178 WeakPolarHBondContact O-CD 3.38Å; V173-P178 WeakPolarHBondContact O-CG 3.16Å; V173-W230 PolarHBondContact O-NE1 2.91Å |
| 174 | H | 95.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -110.6 | -14 | -175 | -52.1 | 96.6 | 0 | 0 | 0 | 114.9 | G170 I201 W230 G234 | G170-H174 WeakPolarHBondContact O-CB 3.43Å; G170-H174 PolarHBondContact O-N 3.41Å; G170-H174 PolarHBondContact O-ND1 2.94Å; H174-I201 HydrophobicContact CB-CD1 4.06Å; H174-I201 HydrophobicContact CB-CG1 4.28Å; H174-W230 AromaticContact CD2-CD1 3.88Å; H174-W230 AromaticContact CD2-NE1 3.69Å; H174-G234 WeakPolarHBondContact CD2-CA 3.31Å; H174-G234 WeakPolarHBondContact NE2-CA 3.31Å; H174-G234 PolarHBondContact NE2-N 3.45Å |
| 175 | L | 96.1 | Very high | 93.9 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 19% | 0.194 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -126.6 | -37.7 | 179.8 | -60 | 174.8 | 0 | 0 | 0 | 114 | V171 P179 L194 F198 | V171-L175 WeakPolarHBondContact O-CA 3.48Å; V171-L175 WeakPolarHBondContact O-CB 3.46Å; V171-L175 PolarHBondContact O-N 2.91Å; L175-P179 WeakPolarHBondContact O-CD 3.35Å; L175-P179 WeakPolarHBondContact O-CG 3.39Å; L175-L194 HydrophobicContact CB-CD1 4.26Å; L175-L194 VanDerWaalsContact O-CD1 3.24Å; L175-L194 WeakPolarHBondContact O-CD1 3.31Å; L175-F198 HydrophobicContact CD2-CB 4.17Å |
| 176 | V | 96.9 | Very high | 94.2 | Very high | 49 Ų | 49 | 53.1 Ų | 53.1 | 30% | 0.297 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -93.1 | -38.6 | -173.2 | -175.3 | 0 | 0 | 0 | 0 | 113.3 | V171 L172 F180 Y190 | V171-V176 HydrophobicContact CG1-CG2 4.18Å; V171-V176 PolarHBondContact O-N 3.24Å; V171-V176 VanDerWaalsContact O-N 3.12Å; L172-V176 HydrophobicContact CD2-CB 4.07Å; L172-V176 HydrophobicContact CD2-CG1 4.21Å; L172-V176 HydrophobicContact CD2-CG2 4.21Å; L172-V176 PolarHBondContact O-N 2.92Å; V176-F180 VanDerWaalsContact O-CD2 3.25Å; V176-F180 WeakPolarHBondContact O-CD2 3.17Å; V176-F180 VanDerWaalsContact O-CE2 3.29Å; V176-F180 WeakPolarHBondContact O-CE2 3.26Å; V176-Y190 PolarHBondContact O-OH 2.91Å |
| 177 | I | 97 | Very high | 94.6 | Very high | 87 Ų | 87 | 54.2 Ų | 54.2 | 45% | 0.446 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -81.1 | -45.2 | -178.8 | -65 | 168.6 | 0 | 0 | 0 | 112.8 | L172 F180 | L172-I177 HydrophobicContact CB-CD1 4.33Å; L172-I177 WeakPolarHBondContact O-CB 3.11Å; L172-I177 VanDerWaalsContact O-CG1 3.3Å; L172-I177 WeakPolarHBondContact O-CG1 3.3Å; L172-I177 PolarHBondContact O-N 2.96Å; I177-F180 PolarHBondContact O-N 3.35Å; I177-F180 VanDerWaalsContact O-N 3.12Å |
| 178 | P | 97.1 | Very high | 95 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.7 | -37.3 | -176.7 | -26.1 | 35.9 | 0 | 0 | 0 | 115.6 | V173 F180 V181 F182 W230 | V173-P178 VanDerWaalsContact O-CD 3.31Å; V173-P178 WeakPolarHBondContact O-CD 3.38Å; V173-P178 WeakPolarHBondContact O-CG 3.16Å; P178-F180 VanDerWaalsContact C-N 3.27Å; P178-F180 PolarHBondContact O-N 2.73Å; P178-V181 WeakPolarHBondContact O-CA 3.34Å; P178-V181 WeakPolarHBondContact O-CB 3.33Å; P178-V181 PolarHBondContact O-N 3.42Å; P178-F182 HydrophobicContact CB-CD2 4.23Å; P178-F182 HydrophobicContact CB-CE2 3.62Å; P178-F182 HydrophobicContact CB-CZ 4.34Å; P178-F182 WeakPolarHBondContact O-CD2 3.28Å; P178-F182 PolarHBondContact O-N 2.87Å; P178-W230 HydrophobicContact CB-CH2 4.46Å; P178-W230 HydrophobicContact CB-CZ2 3.75Å; P178-W230 HydrophobicContact CG-CZ2 3.67Å |
| 179 | P | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.6 | -38.7 | 176.4 | -26 | 35.1 | 0 | 0 | 0 | 113.3 | L175 V181 F182 M183 Y190 L194 | L175-P179 WeakPolarHBondContact O-CD 3.35Å; L175-P179 WeakPolarHBondContact O-CG 3.39Å; P179-V181 VanDerWaalsContact C-N 3.27Å; P179-V181 PolarHBondContact O-N 3.16Å; P179-F182 PolarHBondContact O-N 2.92Å; P179-M183 VanDerWaalsContact O-CG 3.27Å; P179-M183 WeakPolarHBondContact O-CG 3.46Å; P179-M183 PolarHBondContact O-N 3.31Å; P179-Y190 HydrophobicContact CB-CD2 3.67Å; P179-Y190 HydrophobicContact CB-CE2 3.61Å; P179-Y190 HydrophobicContact CB-CG 4.29Å; P179-Y190 HydrophobicContact CG-CE2 4.17Å; P179-L194 HydrophobicContact CG-CB 3.96Å |
| 180 | F | 97.4 | Very high | 95.6 | Very high | 116 Ų | 116 | 51 Ų | 51 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.2 | -29.3 | 175.1 | -62.9 | -69.2 | 0 | 0 | 0 | 112.9 | V176 I177 P178 M183 V184 Y190 | V176-F180 VanDerWaalsContact O-CD2 3.25Å; V176-F180 WeakPolarHBondContact O-CD2 3.17Å; V176-F180 VanDerWaalsContact O-CE2 3.29Å; V176-F180 WeakPolarHBondContact O-CE2 3.26Å; I177-F180 PolarHBondContact O-N 3.35Å; I177-F180 VanDerWaalsContact O-N 3.12Å; P178-F180 VanDerWaalsContact C-N 3.27Å; P178-F180 PolarHBondContact O-N 2.73Å; F180-M183 HydrophobicContact CD1-SD 4.16Å; F180-V184 WeakPolarHBondContact O-CG2 3.48Å; F180-Y190 HydrophobicContact CD1-CD2 4.01Å; F180-Y190 HydrophobicContact CD1-CE2 4.12Å; F180-Y190 AromaticContact CD2-CE2 3.95Å; F180-Y190 HydrophobicContact CD2-CE2 3.95Å; F180-Y190 AromaticContact CE1-CD2 3.74Å; F180-Y190 HydrophobicContact CE1-CD2 3.74Å; F180-Y190 AromaticContact CE1-CE2 3.72Å; F180-Y190 HydrophobicContact CE1-CE2 3.72Å; F180-Y190 HydrophobicContact CE2-CD2 4.37Å; F180-Y190 AromaticContact CE2-CE2 3.54Å; F180-Y190 HydrophobicContact CE2-CE2 3.54Å; F180-Y190 HydrophobicContact CG-CD2 4.44Å; F180-Y190 HydrophobicContact CG-CE2 4.23Å; F180-Y190 AromaticContact CZ-CD2 3.94Å; F180-Y190 HydrophobicContact CZ-CD2 3.94Å; F180-Y190 AromaticContact CZ-CE2 3.42Å; F180-Y190 HydrophobicContact CZ-CE2 3.42Å; F180-Y190 VanDerWaalsContact CZ-CE2 3.42Å |
| 181 | V | 95.8 | Very high | 95.9 | Very high | 70 Ų | 70 | 57 Ų | 57 | 42% | 0.424 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.1 | -49 | 173.2 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | P178 P179 M183 V184 T185 | P178-V181 WeakPolarHBondContact O-CA 3.34Å; P178-V181 WeakPolarHBondContact O-CB 3.33Å; P178-V181 PolarHBondContact O-N 3.42Å; P179-V181 VanDerWaalsContact C-N 3.27Å; P179-V181 PolarHBondContact O-N 3.16Å; V181-M183 VanDerWaalsContact C-N 3.31Å; V181-M183 PolarHBondContact O-N 2.75Å; V181-V184 PolarHBondContact O-N 3.25Å; V181-T185 HydrophobicContact CG1-CG2 4.25Å; V181-T185 PolarHBondContact O-N 3.05Å; V181-T185 PolarHBondContact O-OG1 2.98Å; V181-T185 VanDerWaalsContact O-OG1 3.1Å |
| 182 | F | 96 | Very high | 96 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.2 | -32.3 | 179.2 | -58.5 | -52.2 | 0 | 0 | 0 | 113.1 | P178 P179 V184 T185 E186 G187 W188 Y196 A211 V227 W230 | P178-F182 HydrophobicContact CB-CD2 4.23Å; P178-F182 HydrophobicContact CB-CE2 3.62Å; P178-F182 HydrophobicContact CB-CZ 4.34Å; P178-F182 WeakPolarHBondContact O-CD2 3.28Å; P178-F182 PolarHBondContact O-N 2.87Å; P179-F182 PolarHBondContact O-N 2.92Å; F182-V184 PolarHBondContact O-N 3.36Å; F182-T185 PolarHBondContact O-N 3.26Å; F182-E186 HydrophobicContact CB-CG 4.22Å; F182-E186 HydrophobicContact CD1-CG 4.01Å; F182-E186 WeakPolarHBondContact O-CA 3.3Å; F182-E186 WeakPolarHBondContact O-CB 3.45Å; F182-E186 PolarHBondContact O-N 3.24Å; F182-G187 PolarHBondContact O-N 3.3Å; F182-W188 HydrophobicContact CB-CD2 4.49Å; F182-W188 HydrophobicContact CB-CE3 3.67Å; F182-W188 HydrophobicContact CB-CZ3 4.09Å; F182-W188 HydrophobicContact CD1-CZ3 4.24Å; F182-W188 HydrophobicContact CD2-CZ3 4.37Å; F182-W188 HydrophobicContact CG-CE3 4.09Å; F182-W188 AromaticContact CG-CZ3 3.98Å; F182-W188 HydrophobicContact CG-CZ3 3.98Å; F182-Y196 HydrophobicContact CD2-CD1 4.03Å; F182-Y196 HydrophobicContact CD2-CE1 4.47Å; F182-Y196 HydrophobicContact CE1-CE1 4.11Å; F182-Y196 AromaticContact CE2-CD1 3.63Å; F182-Y196 HydrophobicContact CE2-CD1 3.63Å; F182-Y196 AromaticContact CE2-CE1 3.76Å; F182-Y196 HydrophobicContact CE2-CE1 3.76Å; F182-Y196 AromaticContact CZ-CD1 3.94Å; F182-Y196 HydrophobicContact CZ-CD1 3.94Å; F182-Y196 AromaticContact CZ-CE1 3.56Å; F182-Y196 HydrophobicContact CZ-CE1 3.56Å; F182-A211 HydrophobicContact CD1-CB 4.25Å; F182-A211 HydrophobicContact CE1-CB 3.77Å; F182-V227 HydrophobicContact CE1-CG2 4.46Å; F182-W230 HydrophobicContact CE2-CH2 4.1Å; F182-W230 HydrophobicContact CE2-CZ3 4.42Å; F182-W230 HydrophobicContact CZ-CE3 4.45Å; F182-W230 HydrophobicContact CZ-CH2 4.07Å; F182-W230 AromaticContact CZ-CZ3 3.93Å; F182-W230 HydrophobicContact CZ-CZ3 3.93Å |
| 183 | M | 95.8 | Very high | 96.1 | Very high | 82 Ų | 82 | 53.9 Ų | 53.9 | 40% | 0.404 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.7 | -34.2 | 169.8 | -73.5 | 176.3 | 74.4 | 0 | 0 | 112.9 | P179 F180 V181 W188 Y190 | P179-M183 VanDerWaalsContact O-CG 3.27Å; P179-M183 WeakPolarHBondContact O-CG 3.46Å; P179-M183 PolarHBondContact O-N 3.31Å; F180-M183 HydrophobicContact CD1-SD 4.16Å; V181-M183 VanDerWaalsContact C-N 3.31Å; V181-M183 PolarHBondContact O-N 2.75Å; M183-W188 WeakPolarHBondContact CA-O 3.41Å; M183-W188 VanDerWaalsContact CG-O 3.27Å; M183-W188 WeakPolarHBondContact CG-O 3.43Å; M183-Y190 HydrophobicContact SD-CD2 4.04Å; M183-Y190 HydrophobicContact SD-CG 4.43Å |
| 184 | V | 93.2 | Very high | 96.2 | Very high | 127 Ų | 127 | 54.9 Ų | 54.9 | 77% | 0.77 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -88.2 | -35 | -179.7 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | F180 V181 F182 | F180-V184 WeakPolarHBondContact O-CG2 3.48Å; V181-V184 PolarHBondContact O-N 3.25Å; F182-V184 PolarHBondContact O-N 3.36Å |
| 185 | T | 93.2 | Very high | 96.3 | Very high | 51 Ų | 51 | 58.6 Ų | 58.6 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -96.9 | -31.6 | -173.5 | 57.2 | 0 | 0 | 0 | 0 | 114.9 | V181 F182 Y223 | V181-T185 HydrophobicContact CG1-CG2 4.25Å; V181-T185 PolarHBondContact O-N 3.05Å; V181-T185 PolarHBondContact O-OG1 2.98Å; V181-T185 VanDerWaalsContact O-OG1 3.1Å; F182-T185 PolarHBondContact O-N 3.26Å; T185-Y223 HydrophobicContact CG2-CE2 3.99Å; T185-Y223 PolarHBondContact OG1-OH 2.8Å |
| 186 | E | 93.1 | Very high | 96.4 | Very high | 22 Ų | 22 | 57.1 Ų | 57.1 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -17.4 | -178.1 | -54.2 | -64.4 | 166.3 | 0 | 0 | 112.9 | F182 W188 A211 G212 Y219 Y223 | F182-E186 HydrophobicContact CB-CG 4.22Å; F182-E186 HydrophobicContact CD1-CG 4.01Å; F182-E186 WeakPolarHBondContact O-CA 3.3Å; F182-E186 WeakPolarHBondContact O-CB 3.45Å; F182-E186 PolarHBondContact O-N 3.24Å; E186-W188 VanDerWaalsContact C-N 3.25Å; E186-W188 HydrophobicContact CB-CD2 3.57Å; E186-W188 VanDerWaalsContact CB-CE2 3.48Å; E186-W188 HydrophobicContact CB-CE3 4.17Å; E186-W188 HydrophobicContact CB-CG 3.75Å; E186-W188 HydrophobicContact CB-CZ2 4Å; E186-W188 HydrophobicContact CG-CD2 4.02Å; E186-W188 HydrophobicContact CG-CE3 4.17Å; E186-W188 HydrophobicContact CG-CH2 4.02Å; E186-W188 HydrophobicContact CG-CZ2 3.86Å; E186-W188 HydrophobicContact CG-CZ3 4.17Å; E186-W188 PolarHBondContact O-N 3.08Å; E186-A211 WeakPolarHBondContact OE1-CA 3.15Å; E186-G212 PolarHBondContact OE1-N 2.89Å; E186-Y219 WeakPolarHBondContact OE2-CE1 3.42Å; E186-Y219 PolarHBondContact OE2-OH 3.5Å; E186-Y223 WeakPolarHBondContact OE1-CE1 3.41Å; E186-Y223 VanDerWaalsContact OE1-CZ 3.29Å; E186-Y223 PolarHBondContact OE1-OH 3.38Å |
| 187 | G | 93.8 | Very high | 96.5 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 66% | 0.66 | 29% | 0.291 | S | S | * | . | trans | 76.1 | 9.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F182 | F182-G187 PolarHBondContact O-N 3.3Š| ||
| 188 | W | 96.2 | Very high | 96.5 | Very high | 37 Ų | 37 | 55.8 Ų | 55.8 | 14% | 0.14 | 29% | 0.293 | C | S | . | . | trans | -67 | 159.9 | 175.6 | -59 | -17.8 | 0 | 0 | 0 | 111.9 | F182 M183 E186 E192 Y196 F209 A211 | F182-W188 HydrophobicContact CB-CD2 4.49Å; F182-W188 HydrophobicContact CB-CE3 3.67Å; F182-W188 HydrophobicContact CB-CZ3 4.09Å; F182-W188 HydrophobicContact CD1-CZ3 4.24Å; F182-W188 HydrophobicContact CD2-CZ3 4.37Å; F182-W188 HydrophobicContact CG-CE3 4.09Å; F182-W188 AromaticContact CG-CZ3 3.98Å; F182-W188 HydrophobicContact CG-CZ3 3.98Å; M183-W188 WeakPolarHBondContact CA-O 3.41Å; M183-W188 VanDerWaalsContact CG-O 3.27Å; M183-W188 WeakPolarHBondContact CG-O 3.43Å; E186-W188 VanDerWaalsContact C-N 3.25Å; E186-W188 HydrophobicContact CB-CD2 3.57Å; E186-W188 VanDerWaalsContact CB-CE2 3.48Å; E186-W188 HydrophobicContact CB-CE3 4.17Å; E186-W188 HydrophobicContact CB-CG 3.75Å; E186-W188 HydrophobicContact CB-CZ2 4Å; E186-W188 HydrophobicContact CG-CD2 4.02Å; E186-W188 HydrophobicContact CG-CE3 4.17Å; E186-W188 HydrophobicContact CG-CH2 4.02Å; E186-W188 HydrophobicContact CG-CZ2 3.86Å; E186-W188 HydrophobicContact CG-CZ3 4.17Å; E186-W188 PolarHBondContact O-N 3.08Å; W188-E192 VanDerWaalsContact CA-OE2 3.31Å; W188-E192 WeakPolarHBondContact CA-OE2 3.46Å; W188-E192 HydrophobicContact CB-CB 4.02Å; W188-E192 WeakPolarHBondContact CB-OE2 3.5Å; W188-Y196 HydrophobicContact CH2-CD1 4.2Å; W188-Y196 HydrophobicContact CH2-CD2 4.25Å; W188-Y196 HydrophobicContact CH2-CG 4.06Å; W188-Y196 AromaticContact CZ3-CD1 3.61Å; W188-Y196 HydrophobicContact CZ3-CD1 3.61Å; W188-Y196 HydrophobicContact CZ3-CD2 4.28Å; W188-Y196 HydrophobicContact CZ3-CE1 4.24Å; W188-Y196 AromaticContact CZ3-CG 3.63Å; W188-Y196 HydrophobicContact CZ3-CG 3.63Å; W188-F209 AromaticContact CD2-CD1 3.92Å; W188-F209 HydrophobicContact CD2-CD1 3.92Å; W188-F209 HydrophobicContact CD2-CE1 4.43Å; W188-F209 AromaticContact CE2-CD1 3.62Å; W188-F209 HydrophobicContact CE3-CD1 4.41Å; W188-F209 HydrophobicContact CG-CD1 4.34Å; W188-F209 HydrophobicContact CG-CE1 4.39Å; W188-F209 HydrophobicContact CH2-CB 4.03Å; W188-F209 HydrophobicContact CH2-CD1 4.4Å; W188-F209 HydrophobicContact CZ2-CB 4.16Å; W188-F209 AromaticContact CZ2-CD1 3.91Å; W188-F209 HydrophobicContact CZ2-CD1 3.91Å; W188-F209 HydrophobicContact CZ3-CB 4.46Å; W188-F209 AromaticContact NE1-CD1 3.82Å; W188-A211 HydrophobicContact CH2-CB 4.15Å | ||
| 189 | N | 97.3 | Very high | 96.5 | Very high | 73 Ų | 73 | 55.8 Ų | 55.8 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | trans | -80.4 | 167.8 | 168 | 78 | 58 | 0 | 0 | 0 | 111.6 | I191 E192 G193 | N189-I191 VanDerWaalsContact C-N 3.29Å; N189-I191 PolarHBondContact O-N 2.74Å; N189-I191 WeakPolarHBondContact OD1-CA 3.38Å; N189-I191 WeakPolarHBondContact OD1-CB 3.43Å; N189-I191 PolarHBondContact OD1-N 2.83Å; N189-E192 PolarHBondContact N-OE2 3.43Å; N189-E192 WeakPolarHBondContact ND2-CG 3.39Å; N189-E192 PolarHBondContact ND2-OE1 3.37Å; N189-E192 PolarHBondContact ND2-OE2 2.71Å; N189-E192 PolarHBondContact O-N 3.17Å; N189-E192 PolarHBondContact OD1-N 3.43Å; N189-G193 PolarHBondContact O-N 2.85Å | ||
| 190 | Y | 97.7 | Very high | 96.4 | Very high | 70 Ų | 70 | 55.8 Ų | 55.8 | 28% | 0.275 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.9 | -34.3 | -176.7 | -175.2 | -91.7 | 0 | 0 | 0 | 113.4 | V176 P179 F180 M183 L194 | V176-Y190 PolarHBondContact O-OH 2.91Å; P179-Y190 HydrophobicContact CB-CD2 3.67Å; P179-Y190 HydrophobicContact CB-CE2 3.61Å; P179-Y190 HydrophobicContact CB-CG 4.29Å; P179-Y190 HydrophobicContact CG-CE2 4.17Å; F180-Y190 HydrophobicContact CD1-CD2 4.01Å; F180-Y190 HydrophobicContact CD1-CE2 4.12Å; F180-Y190 AromaticContact CD2-CE2 3.95Å; F180-Y190 HydrophobicContact CD2-CE2 3.95Å; F180-Y190 AromaticContact CE1-CD2 3.74Å; F180-Y190 HydrophobicContact CE1-CD2 3.74Å; F180-Y190 AromaticContact CE1-CE2 3.72Å; F180-Y190 HydrophobicContact CE1-CE2 3.72Å; F180-Y190 HydrophobicContact CE2-CD2 4.37Å; F180-Y190 AromaticContact CE2-CE2 3.54Å; F180-Y190 HydrophobicContact CE2-CE2 3.54Å; F180-Y190 HydrophobicContact CG-CD2 4.44Å; F180-Y190 HydrophobicContact CG-CE2 4.23Å; F180-Y190 AromaticContact CZ-CD2 3.94Å; F180-Y190 HydrophobicContact CZ-CD2 3.94Å; F180-Y190 AromaticContact CZ-CE2 3.42Å; F180-Y190 HydrophobicContact CZ-CE2 3.42Å; F180-Y190 VanDerWaalsContact CZ-CE2 3.42Å; M183-Y190 HydrophobicContact SD-CD2 4.04Å; M183-Y190 HydrophobicContact SD-CG 4.43Å; Y190-L194 HydrophobicContact CE1-CB 4.45Å; Y190-L194 HydrophobicContact CE1-CD2 4.24Å; Y190-L194 VanDerWaalsContact O-CB 3.28Å; Y190-L194 WeakPolarHBondContact O-CB 3.36Å; Y190-L194 PolarHBondContact O-N 3.08Å |
| 191 | I | 97.8 | Very high | 96.4 | Very high | 126 Ų | 126 | 50.6 Ų | 50.6 | 65% | 0.646 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -73.1 | -43.2 | -178.3 | -58 | 179.7 | 0 | 0 | 0 | 109.9 | N189 L194 Y195 | N189-I191 VanDerWaalsContact C-N 3.29Å; N189-I191 PolarHBondContact O-N 2.74Å; N189-I191 WeakPolarHBondContact OD1-CA 3.38Å; N189-I191 WeakPolarHBondContact OD1-CB 3.43Å; N189-I191 PolarHBondContact OD1-N 2.83Å; I191-L194 PolarHBondContact O-N 3.39Å; I191-Y195 VanDerWaalsContact O-CB 3.24Å; I191-Y195 WeakPolarHBondContact O-CB 3.41Å; I191-Y195 PolarHBondContact O-N 2.88Å |
| 192 | E | 97.4 | Very high | 96.3 | Very high | 61 Ų | 61 | 48.8 Ų | 48.8 | 29% | 0.285 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.1 | -48 | 172 | -70.5 | 163.5 | 179.6 | 0 | 0 | 111.3 | W188 N189 L194 Y195 Y196 F209 | W188-E192 VanDerWaalsContact CA-OE2 3.31Å; W188-E192 WeakPolarHBondContact CA-OE2 3.46Å; W188-E192 HydrophobicContact CB-CB 4.02Å; W188-E192 WeakPolarHBondContact CB-OE2 3.5Å; N189-E192 PolarHBondContact N-OE2 3.43Å; N189-E192 WeakPolarHBondContact ND2-CG 3.39Å; N189-E192 PolarHBondContact ND2-OE1 3.37Å; N189-E192 PolarHBondContact ND2-OE2 2.71Å; N189-E192 PolarHBondContact O-N 3.17Å; N189-E192 PolarHBondContact OD1-N 3.43Å; E192-L194 VanDerWaalsContact C-N 3.33Å; E192-L194 PolarHBondContact O-N 3.24Å; E192-Y195 PolarHBondContact O-N 3.05Å; E192-Y196 WeakPolarHBondContact O-CB 3.22Å; E192-Y196 PolarHBondContact O-N 3.3Å; E192-F209 HydrophobicContact CB-CE1 4.04Å; E192-F209 HydrophobicContact CB-CZ 4.08Å; E192-F209 HydrophobicContact CG-CE1 3.98Å; E192-F209 HydrophobicContact CG-CE2 4.41Å; E192-F209 HydrophobicContact CG-CZ 3.65Å |
| 193 | G | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -38 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N189 S197 | N189-G193 PolarHBondContact O-N 2.85Å; G193-S197 VanDerWaalsContact O-CB 3.28Å; G193-S197 WeakPolarHBondContact O-CB 3.25Å; G193-S197 PolarHBondContact O-N 2.83Å; G193-S197 PolarHBondContact O-OG 2.8Å |
| 194 | L | 98.2 | Very high | 96.3 | Very high | 65 Ų | 65 | 50.7 Ų | 50.7 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.4 | -42.7 | 176.5 | 176 | 63 | 0 | 0 | 0 | 111.8 | L175 P179 Y190 I191 E192 S197 F198 | L175-L194 HydrophobicContact CB-CD1 4.26Å; L175-L194 VanDerWaalsContact O-CD1 3.24Å; L175-L194 WeakPolarHBondContact O-CD1 3.31Å; P179-L194 HydrophobicContact CG-CB 3.96Å; Y190-L194 HydrophobicContact CE1-CB 4.45Å; Y190-L194 HydrophobicContact CE1-CD2 4.24Å; Y190-L194 VanDerWaalsContact O-CB 3.28Å; Y190-L194 WeakPolarHBondContact O-CB 3.36Å; Y190-L194 PolarHBondContact O-N 3.08Å; I191-L194 PolarHBondContact O-N 3.39Å; E192-L194 VanDerWaalsContact C-N 3.33Å; E192-L194 PolarHBondContact O-N 3.24Å; L194-S197 PolarHBondContact O-N 3.37Å; L194-F198 WeakPolarHBondContact O-CB 3.42Å; L194-F198 PolarHBondContact O-N 3.13Å |
| 195 | Y | 97.9 | Very high | 96.4 | Very high | 80 Ų | 80 | 44.9 Ų | 44.9 | 31% | 0.314 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.1 | -54.9 | 174.3 | 166.9 | -98.3 | 0 | 0 | 0 | 110.6 | I191 E192 S197 F198 I199 F206 D208 F209 | I191-Y195 VanDerWaalsContact O-CB 3.24Å; I191-Y195 WeakPolarHBondContact O-CB 3.41Å; I191-Y195 PolarHBondContact O-N 2.88Å; E192-Y195 PolarHBondContact O-N 3.05Å; Y195-S197 VanDerWaalsContact C-N 3.29Å; Y195-S197 PolarHBondContact O-N 2.91Å; Y195-F198 PolarHBondContact O-N 3.5Å; Y195-F198 VanDerWaalsContact O-N 3.12Å; Y195-I199 HydrophobicContact CD1-CG1 4.49Å; Y195-I199 HydrophobicContact CD2-CG1 3.93Å; Y195-I199 HydrophobicContact CE1-CG1 4.28Å; Y195-I199 HydrophobicContact CE2-CD1 4.1Å; Y195-I199 HydrophobicContact CE2-CG1 3.69Å; Y195-I199 HydrophobicContact CG-CG1 4.34Å; Y195-I199 WeakPolarHBondContact O-CB 3.47Å; Y195-I199 VanDerWaalsContact O-CG1 3.3Å; Y195-I199 WeakPolarHBondContact O-CG1 3.42Å; Y195-I199 PolarHBondContact O-N 3.45Å; Y195-F206 WeakPolarHBondContact OH-CD2 3.46Å; Y195-D208 WeakPolarHBondContact CE1-OD2 3.38Å; Y195-D208 VanDerWaalsContact CZ-OD2 3.29Å; Y195-D208 PolarHBondContact OH-OD2 2.82Å; Y195-F209 HydrophobicContact CD1-CD2 4Å; Y195-F209 HydrophobicContact CD1-CE2 4.38Å; Y195-F209 AromaticContact CE1-CD2 3.87Å; Y195-F209 HydrophobicContact CE1-CD2 3.87Å; Y195-F209 HydrophobicContact CE1-CE2 4.32Å |
| 196 | Y | 97.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -53.4 | -46.5 | 175.1 | 170.7 | -104.9 | 0 | 0 | 0 | 111.9 | Y101 F182 W188 E192 F198 I199 T200 F209 A211 W230 | Y101-Y196 AromaticContact CE1-CE2 4Å; Y101-Y196 HydrophobicContact CE1-CE2 4Å; Y101-Y196 PolarHBondContact OH-OH 3.17Å; F182-Y196 HydrophobicContact CD2-CD1 4.03Å; F182-Y196 HydrophobicContact CD2-CE1 4.47Å; F182-Y196 HydrophobicContact CE1-CE1 4.11Å; F182-Y196 AromaticContact CE2-CD1 3.63Å; F182-Y196 HydrophobicContact CE2-CD1 3.63Å; F182-Y196 AromaticContact CE2-CE1 3.76Å; F182-Y196 HydrophobicContact CE2-CE1 3.76Å; F182-Y196 AromaticContact CZ-CD1 3.94Å; F182-Y196 HydrophobicContact CZ-CD1 3.94Å; F182-Y196 AromaticContact CZ-CE1 3.56Å; F182-Y196 HydrophobicContact CZ-CE1 3.56Å; W188-Y196 HydrophobicContact CH2-CD1 4.2Å; W188-Y196 HydrophobicContact CH2-CD2 4.25Å; W188-Y196 HydrophobicContact CH2-CG 4.06Å; W188-Y196 AromaticContact CZ3-CD1 3.61Å; W188-Y196 HydrophobicContact CZ3-CD1 3.61Å; W188-Y196 HydrophobicContact CZ3-CD2 4.28Å; W188-Y196 HydrophobicContact CZ3-CE1 4.24Å; W188-Y196 AromaticContact CZ3-CG 3.63Å; W188-Y196 HydrophobicContact CZ3-CG 3.63Å; E192-Y196 WeakPolarHBondContact O-CB 3.22Å; E192-Y196 PolarHBondContact O-N 3.3Å; Y196-F198 PolarHBondContact O-N 3.28Å; Y196-I199 PolarHBondContact O-N 2.84Å; Y196-T200 WeakPolarHBondContact CE2-OG1 3.4Å; Y196-T200 VanDerWaalsContact O-CB 3.22Å; Y196-T200 WeakPolarHBondContact O-CB 3.32Å; Y196-T200 PolarHBondContact O-N 3.19Å; Y196-T200 PolarHBondContact O-OG1 3.41Å; Y196-F209 HydrophobicContact CD2-CB 3.9Å; Y196-F209 WeakPolarHBondContact CD2-O 3.37Å; Y196-F209 VanDerWaalsContact CE2-O 3.31Å; Y196-F209 WeakPolarHBondContact CE2-O 3.27Å; Y196-F209 HydrophobicContact CG-CB 4.34Å; Y196-A211 HydrophobicContact CE1-CB 3.96Å; Y196-W230 HydrophobicContact CE1-CH2 4.27Å; Y196-W230 HydrophobicContact CE1-CZ3 4.09Å |
| 197 | S | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 179.1 | -60.4 | 0 | 0 | 0 | 0 | 112 | G193 L194 Y195 I201 | G193-S197 VanDerWaalsContact O-CB 3.28Å; G193-S197 WeakPolarHBondContact O-CB 3.25Å; G193-S197 PolarHBondContact O-N 2.83Å; G193-S197 PolarHBondContact O-OG 2.8Å; L194-S197 PolarHBondContact O-N 3.37Å; Y195-S197 VanDerWaalsContact C-N 3.29Å; Y195-S197 PolarHBondContact O-N 2.91Å; S197-I201 VanDerWaalsContact O-CB 3.26Å; S197-I201 WeakPolarHBondContact O-CB 3.41Å; S197-I201 WeakPolarHBondContact O-CG1 3.43Å; S197-I201 PolarHBondContact O-N 3.46Å; S197-I201 VanDerWaalsContact O-N 3.12Å |
| 198 | F | 97.3 | Very high | 96.4 | Very high | 108 Ų | 108 | 49.3 Ų | 49.3 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.6 | -54.6 | 175.8 | 175.2 | -102.2 | 0 | 0 | 0 | 111.8 | L175 L194 Y195 Y196 T200 I201 S202 I204 | L175-F198 HydrophobicContact CD2-CB 4.17Å; L194-F198 WeakPolarHBondContact O-CB 3.42Å; L194-F198 PolarHBondContact O-N 3.13Å; Y195-F198 PolarHBondContact O-N 3.5Å; Y195-F198 VanDerWaalsContact O-N 3.12Å; Y196-F198 PolarHBondContact O-N 3.28Å; F198-T200 VanDerWaalsContact C-N 3.28Å; F198-T200 PolarHBondContact O-N 3.41Å; F198-I201 PolarHBondContact O-N 3.32Å; F198-S202 WeakPolarHBondContact O-CB 3.43Å; F198-S202 PolarHBondContact O-N 3.17Å; F198-S202 PolarHBondContact O-OG 3.48Å; F198-I204 HydrophobicContact CE1-CD1 4.31Å |
| 199 | I | 97.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.046 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.6 | -37.6 | -176.4 | -68.4 | -57.6 | 0 | 0 | 0 | 112.5 | Y195 Y196 S202 I204 G205 F206 | Y195-I199 HydrophobicContact CD1-CG1 4.49Å; Y195-I199 HydrophobicContact CD2-CG1 3.93Å; Y195-I199 HydrophobicContact CE1-CG1 4.28Å; Y195-I199 HydrophobicContact CE2-CD1 4.1Å; Y195-I199 HydrophobicContact CE2-CG1 3.69Å; Y195-I199 HydrophobicContact CG-CG1 4.34Å; Y195-I199 WeakPolarHBondContact O-CB 3.47Å; Y195-I199 VanDerWaalsContact O-CG1 3.3Å; Y195-I199 WeakPolarHBondContact O-CG1 3.42Å; Y195-I199 PolarHBondContact O-N 3.45Å; Y196-I199 PolarHBondContact O-N 2.84Å; I199-S202 PolarHBondContact O-OG 3.42Å; I199-I204 HydrophobicContact CD1-CB 4.18Å; I199-I204 HydrophobicContact CD1-CD1 3.99Å; I199-I204 HydrophobicContact CD1-CG2 4.05Å; I199-I204 HydrophobicContact CG2-CB 4.15Å; I199-I204 HydrophobicContact CG2-CG2 4.26Å; I199-I204 PolarHBondContact O-N 3.16Å; I199-G205 PolarHBondContact O-N 3.34Å; I199-G205 VanDerWaalsContact O-N 3.16Å; I199-F206 HydrophobicContact CD1-CD2 3.73Å; I199-F206 HydrophobicContact CD1-CE2 3.5Å; I199-F206 HydrophobicContact CG1-CD2 4.06Å; I199-F206 HydrophobicContact CG1-CE2 4.32Å; I199-F206 HydrophobicContact CG2-CB 4.45Å; I199-F206 HydrophobicContact CG2-CD2 3.9Å; I199-F206 HydrophobicContact CG2-CG 4.41Å |
| 200 | T | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71 | -51.9 | 176.2 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | I99 Y101 Y196 F198 S202 T203 W230 I231 | I99-T200 HydrophobicContact CD1-CG2 4.31Å; Y101-T200 WeakPolarHBondContact OH-CG2 3.22Å; Y101-T200 PolarHBondContact OH-OG1 3.05Å; Y196-T200 WeakPolarHBondContact CE2-OG1 3.4Å; Y196-T200 VanDerWaalsContact O-CB 3.22Å; Y196-T200 WeakPolarHBondContact O-CB 3.32Å; Y196-T200 PolarHBondContact O-N 3.19Å; Y196-T200 PolarHBondContact O-OG1 3.41Å; F198-T200 VanDerWaalsContact C-N 3.28Å; F198-T200 PolarHBondContact O-N 3.41Å; T200-S202 VanDerWaalsContact C-N 3.3Å; T200-S202 PolarHBondContact O-N 3.48Å; T200-T203 PolarHBondContact O-N 3.01Å; T200-T203 VanDerWaalsContact O-N 3.1Å; T200-W230 HydrophobicContact CG2-CZ3 4.42Å; T200-I231 HydrophobicContact CG2-CD1 3.64Å; T200-I231 HydrophobicContact CG2-CG1 3.66Å; T200-I231 HydrophobicContact CG2-CG2 4.37Å |
| 201 | I | 95.5 | Very high | 95.9 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.036 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.2 | -31.3 | -175.6 | -63.3 | -75.7 | 0 | 0 | 0 | 111.3 | H174 S197 F198 T203 W230 L238 | H174-I201 HydrophobicContact CB-CD1 4.06Å; H174-I201 HydrophobicContact CB-CG1 4.28Å; S197-I201 VanDerWaalsContact O-CB 3.26Å; S197-I201 WeakPolarHBondContact O-CB 3.41Å; S197-I201 WeakPolarHBondContact O-CG1 3.43Å; S197-I201 PolarHBondContact O-N 3.46Å; S197-I201 VanDerWaalsContact O-N 3.12Å; F198-I201 PolarHBondContact O-N 3.32Å; I201-T203 VanDerWaalsContact C-N 3.25Å; I201-T203 PolarHBondContact O-N 3.35Å; I201-W230 HydrophobicContact CD1-CH2 4.48Å; I201-W230 HydrophobicContact CD1-CZ2 4.12Å; I201-W230 HydrophobicContact CG1-CH2 4.42Å; I201-W230 HydrophobicContact CG1-CZ2 4.2Å; I201-L238 WeakPolarHBondContact O-CD2 3.25Å |
| 202 | S | 94.7 | Very high | 95.5 | Very high | 32 Ų | 32 | 38.6 Ų | 38.6 | 22% | 0.224 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 5.9 | 175.1 | 71.6 | 0 | 0 | 0 | 0 | 114.4 | F198 I199 T200 I204 | F198-S202 WeakPolarHBondContact O-CB 3.43Å; F198-S202 PolarHBondContact O-N 3.17Å; F198-S202 PolarHBondContact O-OG 3.48Å; I199-S202 PolarHBondContact O-OG 3.42Å; T200-S202 VanDerWaalsContact C-N 3.3Å; T200-S202 PolarHBondContact O-N 3.48Å; S202-I204 VanDerWaalsContact C-N 3.28Å; S202-I204 PolarHBondContact O-N 3.2Å; S202-I204 VanDerWaalsContact OG-CD1 3.29Å; S202-I204 WeakPolarHBondContact OG-CD1 3.38Å; S202-I204 WeakPolarHBondContact OG-CG1 3.35Å |
| 203 | T | 95.5 | Very high | 94.9 | Very high | 49 Ų | 49 | 37.7 Ų | 37.7 | 30% | 0.301 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 45.2 | -176.1 | 69.5 | 0 | 0 | 0 | 0 | 113.2 | I99 T200 I201 L235 | I99-T203 HydrophobicContact CG1-CG2 3.97Å; T200-T203 PolarHBondContact O-N 3.01Å; T200-T203 VanDerWaalsContact O-N 3.1Å; I201-T203 VanDerWaalsContact C-N 3.25Å; I201-T203 PolarHBondContact O-N 3.35Å; T203-L235 HydrophobicContact CG2-CD2 3.42Å; T203-L235 VanDerWaalsContact CG2-CD2 3.42Å |
| 204 | I | 96.8 | Very high | 94.2 | Very high | 78 Ų | 78 | 40.9 Ų | 40.9 | 40% | 0.4 | 21% | 0.211 | S | C | . | . | trans | -93 | -45.3 | 170.9 | -68.1 | 171 | 0 | 0 | 0 | 110 | F198 I199 S202 F206 | F198-I204 HydrophobicContact CE1-CD1 4.31Å; I199-I204 HydrophobicContact CD1-CB 4.18Å; I199-I204 HydrophobicContact CD1-CD1 3.99Å; I199-I204 HydrophobicContact CD1-CG2 4.05Å; I199-I204 HydrophobicContact CG2-CB 4.15Å; I199-I204 HydrophobicContact CG2-CG2 4.26Å; I199-I204 PolarHBondContact O-N 3.16Å; S202-I204 VanDerWaalsContact C-N 3.28Å; S202-I204 PolarHBondContact O-N 3.2Å; S202-I204 VanDerWaalsContact OG-CD1 3.29Å; S202-I204 WeakPolarHBondContact OG-CD1 3.38Å; S202-I204 WeakPolarHBondContact OG-CG1 3.35Å; I204-F206 HydrophobicContact CG2-CD1 4.07Å; I204-F206 HydrophobicContact CG2-CD2 3.95Å; I204-F206 HydrophobicContact CG2-CE1 3.76Å; I204-F206 HydrophobicContact CG2-CE2 3.66Å; I204-F206 HydrophobicContact CG2-CG 4.16Å; I204-F206 HydrophobicContact CG2-CZ 3.56Å | ||
| 205 | G | 95.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 6% | 0.062 | 21% | 0.213 | C | C | . | . | trans | 52.4 | 61.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | I99 Y101 I199 G207 | I99-G205 WeakPolarHBondContact O-CA 3.41Å; Y101-G205 VanDerWaalsContact CA-O 3.29Å; Y101-G205 WeakPolarHBondContact CA-O 3.29Å; I199-G205 PolarHBondContact O-N 3.34Å; I199-G205 VanDerWaalsContact O-N 3.16Å; G205-G207 VanDerWaalsContact C-N 3.3Å; G205-G207 PolarHBondContact O-N 3.37Å | ||
| 206 | F | 94.7 | Very high | 92.4 | Very high | 127 Ų | 127 | 41.5 Ų | 41.5 | 56% | 0.557 | 23% | 0.231 | S | C | * | . | trans | -64.6 | -29.7 | 176.5 | -67.7 | -56.3 | 0 | 0 | 0 | 114.3 | Y195 I199 I204 D208 | Y195-F206 WeakPolarHBondContact OH-CD2 3.46Å; I199-F206 HydrophobicContact CD1-CD2 3.73Å; I199-F206 HydrophobicContact CD1-CE2 3.5Å; I199-F206 HydrophobicContact CG1-CD2 4.06Å; I199-F206 HydrophobicContact CG1-CE2 4.32Å; I199-F206 HydrophobicContact CG2-CB 4.45Å; I199-F206 HydrophobicContact CG2-CD2 3.9Å; I199-F206 HydrophobicContact CG2-CG 4.41Å; I204-F206 HydrophobicContact CG2-CD1 4.07Å; I204-F206 HydrophobicContact CG2-CD2 3.95Å; I204-F206 HydrophobicContact CG2-CE1 3.76Å; I204-F206 HydrophobicContact CG2-CE2 3.66Å; I204-F206 HydrophobicContact CG2-CG 4.16Å; I204-F206 HydrophobicContact CG2-CZ 3.56Å; F206-D208 VanDerWaalsContact C-N 3.26Å; F206-D208 PolarHBondContact O-N 3.06Å | ||
| 207 | G | 92.5 | Very high | 91.7 | Very high | 15 Ų | 15 | 42.8 Ų | 42.8 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 75.8 | 6.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y101 G205 F209 | Y101-G207 VanDerWaalsContact O-CA 3.23Å; Y101-G207 WeakPolarHBondContact O-CA 3.35Å; G205-G207 VanDerWaalsContact C-N 3.3Å; G205-G207 PolarHBondContact O-N 3.37Å; G207-F209 VanDerWaalsContact C-N 3.31Å |
| 208 | D | 92.4 | Very high | 91.1 | Very high | 88 Ų | 88 | 51.1 Ų | 51.1 | 47% | 0.471 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -57.4 | -43.5 | 161.8 | 49.5 | -1.1 | 0 | 0 | 0 | 111.8 | Y195 F206 | Y195-D208 WeakPolarHBondContact CE1-OD2 3.38Å; Y195-D208 VanDerWaalsContact CZ-OD2 3.29Å; Y195-D208 PolarHBondContact OH-OD2 2.82Å; F206-D208 VanDerWaalsContact C-N 3.26Å; F206-D208 PolarHBondContact O-N 3.06Å |
| 209 | F | 94.8 | Very high | 90.6 | Very high | 51 Ų | 51 | 48.3 Ų | 48.3 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -114.6 | 126.9 | 169.9 | -67 | -88.8 | 0 | 0 | 0 | 110.3 | W188 E192 Y195 Y196 G207 | W188-F209 AromaticContact CD2-CD1 3.92Å; W188-F209 HydrophobicContact CD2-CD1 3.92Å; W188-F209 HydrophobicContact CD2-CE1 4.43Å; W188-F209 AromaticContact CE2-CD1 3.62Å; W188-F209 HydrophobicContact CE3-CD1 4.41Å; W188-F209 HydrophobicContact CG-CD1 4.34Å; W188-F209 HydrophobicContact CG-CE1 4.39Å; W188-F209 HydrophobicContact CH2-CB 4.03Å; W188-F209 HydrophobicContact CH2-CD1 4.4Å; W188-F209 HydrophobicContact CZ2-CB 4.16Å; W188-F209 AromaticContact CZ2-CD1 3.91Å; W188-F209 HydrophobicContact CZ2-CD1 3.91Å; W188-F209 HydrophobicContact CZ3-CB 4.46Å; W188-F209 AromaticContact NE1-CD1 3.82Å; E192-F209 HydrophobicContact CB-CE1 4.04Å; E192-F209 HydrophobicContact CB-CZ 4.08Å; E192-F209 HydrophobicContact CG-CE1 3.98Å; E192-F209 HydrophobicContact CG-CE2 4.41Å; E192-F209 HydrophobicContact CG-CZ 3.65Å; Y195-F209 HydrophobicContact CD1-CD2 4Å; Y195-F209 HydrophobicContact CD1-CE2 4.38Å; Y195-F209 AromaticContact CE1-CD2 3.87Å; Y195-F209 HydrophobicContact CE1-CD2 3.87Å; Y195-F209 HydrophobicContact CE1-CE2 4.32Å; Y196-F209 HydrophobicContact CD2-CB 3.9Å; Y196-F209 WeakPolarHBondContact CD2-O 3.37Å; Y196-F209 VanDerWaalsContact CE2-O 3.31Å; Y196-F209 WeakPolarHBondContact CE2-O 3.27Å; Y196-F209 HydrophobicContact CG-CB 4.34Å; G207-F209 VanDerWaalsContact C-N 3.31Å |
| 210 | V | 92.8 | Very high | 90.1 | Very high | 20 Ų | 20 | 55 Ų | 55 | 12% | 0.121 | 30% | 0.304 | C | S | . | . | trans | -138 | 121.7 | 173.3 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | Y101 N103 V213 | Y101-V210 HydrophobicContact CD1-CG2 4.02Å; Y101-V210 HydrophobicContact CD2-CG1 4.31Å; Y101-V210 HydrophobicContact CD2-CG2 4.29Å; Y101-V210 HydrophobicContact CE1-CG2 4.49Å; Y101-V210 HydrophobicContact CE2-CG1 4.32Å; Y101-V210 HydrophobicContact CG-CG2 3.91Å; N103-V210 HydrophobicContact CB-CG2 4.4Å; V210-V213 HydrophobicContact CB-CG2 3.88Å; V210-V213 HydrophobicContact CG1-CG1 3.84Å; V210-V213 HydrophobicContact CG1-CG2 4.08Å | ||
| 211 | A | 93.1 | Very high | 89.3 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 137.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F182 E186 W188 Y196 V227 | F182-A211 HydrophobicContact CD1-CB 4.25Å; F182-A211 HydrophobicContact CE1-CB 3.77Å; E186-A211 WeakPolarHBondContact OE1-CA 3.15Å; W188-A211 HydrophobicContact CH2-CB 4.15Å; Y196-A211 HydrophobicContact CE1-CB 3.96Å; A211-V227 HydrophobicContact CB-CG1 4.14Å; A211-V227 HydrophobicContact CB-CG2 4.29Å |
| 212 | G | 88 | Confident | 88.9 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | 2.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | E186 Y219 R224 | E186-G212 PolarHBondContact OE1-N 2.89Å; G212-Y219 VanDerWaalsContact C-CZ 3.49Å; G212-Y219 WeakPolarHBondContact O-CD2 3.37Å; G212-Y219 WeakPolarHBondContact O-CE2 3.26Å; G212-R224 PolarHBondContact O-NE 3.31Å; G212-R224 PolarHBondContact O-NH2 2.88Å |
| 213 | V | 84.9 | Confident | 88.8 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 26% | 0.255 | 36% | 0.355 | S | S | . | . | trans | -101.7 | -0.5 | -174.2 | -57.4 | 0 | 0 | 0 | 0 | 115.3 | F80 V210 P215 | F80-V213 HydrophobicContact CE1-CB 4Å; F80-V213 HydrophobicContact CE1-CG1 4.2Å; V210-V213 HydrophobicContact CB-CG2 3.88Å; V210-V213 HydrophobicContact CG1-CG1 3.84Å; V210-V213 HydrophobicContact CG1-CG2 4.08Å; V213-P215 WeakPolarHBondContact O-CD 3.41Å | ||
| 214 | N | 84.3 | Confident | 88.4 | Confident | 68 Ų | 68 | 63.1 Ų | 63.1 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | trans | -67.2 | 121.6 | -178.6 | -173.1 | -12 | 0 | 0 | 0 | 111.8 | S216 A217 Y219 | N214-S216 PolarHBondContact ND2-OG 3.44Å; N214-S216 PolarHBondContact O-N 2.95Å; N214-S216 PolarHBondContact OD1-N 2.71Å; N214-S216 PolarHBondContact OD1-OG 2.93Å; N214-A217 HydrophobicContact CB-CB 4Å; N214-A217 PolarHBondContact O-N 3Å; N214-Y219 HydrophobicContact CB-CE2 4.2Å; N214-Y219 WeakPolarHBondContact CB-OH 3.16Å; N214-Y219 PolarHBondContact N-OH 3.43Å; N214-Y219 WeakPolarHBondContact O-CE2 3.47Å | ||
| 215 | P | 78.8 | Confident | 88 | Confident | 58 Ų | 58 | 64.5 Ų | 64.5 | 38% | 0.377 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -26 | 178.1 | -12.8 | 23.5 | 0 | 0 | 0 | 113.9 | F80 V213 | F80-P215 HydrophobicContact CB-CB 4.25Å; F80-P215 HydrophobicContact CB-CG 3.88Å; V213-P215 WeakPolarHBondContact O-CD 3.41Å |
| 216 | S | 79.3 | Confident | 87.9 | Confident | 100 Ų | 100 | 70.4 Ų | 70.4 | 70% | 0.699 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4.9 | -177.5 | 73 | 0 | 0 | 0 | 0 | 114 | N214 | N214-S216 PolarHBondContact ND2-OG 3.44Å; N214-S216 PolarHBondContact O-N 2.95Å; N214-S216 PolarHBondContact OD1-N 2.71Å; N214-S216 PolarHBondContact OD1-OG 2.93Å |
| 217 | A | 83.1 | Confident | 87.9 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 26% | 0.256 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -102.5 | 132.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N214 Y219 | N214-A217 HydrophobicContact CB-CB 4Å; N214-A217 PolarHBondContact O-N 3Å; A217-Y219 HydrophobicContact CB-CD2 4.19Å; A217-Y219 HydrophobicContact CB-CE1 4.05Å; A217-Y219 HydrophobicContact CB-CE2 3.65Å; A217-Y219 WeakPolarHBondContact O-CD2 3.42Å; A217-Y219 PolarHBondContact O-N 2.9Å; A217-Y219 VanDerWaalsContact O-N 3.12Å |
| 218 | N | 84.7 | Confident | 87.9 | Confident | 175 Ų | 175 | 65.4 Ų | 65.4 | 94% | 0.936 | 35% | 0.35 | S | S | * | . | trans | -86.4 | 76.9 | 178.5 | -73.3 | -65.6 | 0 | 0 | 0 | 111.2 | ||||
| 219 | Y | 85.8 | Confident | 87.9 | Confident | 50 Ų | 50 | 65.5 Ų | 65.5 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | trans | -70.9 | 148.3 | 178.1 | -56.9 | -73.9 | 0 | 0 | 0 | 113.1 | E186 G212 N214 A217 Y223 | E186-Y219 WeakPolarHBondContact OE2-CE1 3.42Å; E186-Y219 PolarHBondContact OE2-OH 3.5Å; G212-Y219 VanDerWaalsContact C-CZ 3.49Å; G212-Y219 WeakPolarHBondContact O-CD2 3.37Å; G212-Y219 WeakPolarHBondContact O-CE2 3.26Å; N214-Y219 HydrophobicContact CB-CE2 4.2Å; N214-Y219 WeakPolarHBondContact CB-OH 3.16Å; N214-Y219 PolarHBondContact N-OH 3.43Å; N214-Y219 WeakPolarHBondContact O-CE2 3.47Å; A217-Y219 HydrophobicContact CB-CD2 4.19Å; A217-Y219 HydrophobicContact CB-CE1 4.05Å; A217-Y219 HydrophobicContact CB-CE2 3.65Å; A217-Y219 WeakPolarHBondContact O-CD2 3.42Å; A217-Y219 PolarHBondContact O-N 2.9Å; A217-Y219 VanDerWaalsContact O-N 3.12Å; Y219-Y223 AromaticContact CD1-CD1 3.6Å; Y219-Y223 HydrophobicContact CD1-CD1 3.6Å; Y219-Y223 AromaticContact CD1-CE1 3.71Å; Y219-Y223 HydrophobicContact CD1-CE1 3.71Å; Y219-Y223 HydrophobicContact CD1-CG 4.44Å; Y219-Y223 HydrophobicContact CE1-CD1 4.19Å; Y219-Y223 AromaticContact CE1-CE1 3.84Å; Y219-Y223 HydrophobicContact CE1-CE1 3.84Å; Y219-Y223 HydrophobicContact CG-CD1 4.13Å | ||
| 220 | H | 86.9 | Confident | 87.9 | Confident | 148 Ų | 148 | 64.8 Ų | 64.8 | 69% | 0.685 | 35% | 0.346 | S | S | * | . | trans | -69.7 | 140.3 | 168.4 | -158.8 | 83.1 | 0 | 0 | 0 | 110.6 | L222 Y223 | H220-L222 PolarHBondContact O-N 2.94Å; H220-Y223 WeakPolarHBondContact O-CB 3.36Å; H220-Y223 PolarHBondContact O-N 3.31Å | ||
| 221 | A | 81.4 | Confident | 88 | Confident | 89 Ų | 89 | 64 Ų | 64 | 74% | 0.736 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 222 | L | 87.7 | Confident | 88 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 48% | 0.476 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -8.5 | 178.3 | -63.3 | 179.5 | 0 | 0 | 0 | 114.7 | H220 R224 Y225 F226 | H220-L222 PolarHBondContact O-N 2.94Å; L222-R224 PolarHBondContact O-N 2.96Å; L222-Y225 HydrophobicContact CD2-CD2 4.33Å; L222-Y225 PolarHBondContact O-N 3.32Å; L222-Y225 VanDerWaalsContact O-N 3.1Å; L222-F226 HydrophobicContact CB-CD2 3.96Å; L222-F226 HydrophobicContact CB-CE2 3.56Å; L222-F226 HydrophobicContact CB-CZ 4.34Å; L222-F226 HydrophobicContact CD1-CE2 4.29Å; L222-F226 HydrophobicContact CD1-CZ 4.43Å; L222-F226 VanDerWaalsContact O-CD2 3.24Å; L222-F226 WeakPolarHBondContact O-CD2 3.33Å; L222-F226 PolarHBondContact O-N 3.48Å |
| 223 | Y | 90.9 | Very high | 88.3 | Confident | 26 Ų | 26 | 69.3 Ų | 69.3 | 10% | 0.102 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55 | -49.2 | -171.9 | 174.6 | -114.1 | 0 | 0 | 0 | 112.7 | T185 E186 Y219 H220 Y225 F226 V227 | T185-Y223 HydrophobicContact CG2-CE2 3.99Å; T185-Y223 PolarHBondContact OG1-OH 2.8Å; E186-Y223 WeakPolarHBondContact OE1-CE1 3.41Å; E186-Y223 VanDerWaalsContact OE1-CZ 3.29Å; E186-Y223 PolarHBondContact OE1-OH 3.38Å; Y219-Y223 AromaticContact CD1-CD1 3.6Å; Y219-Y223 HydrophobicContact CD1-CD1 3.6Å; Y219-Y223 AromaticContact CD1-CE1 3.71Å; Y219-Y223 HydrophobicContact CD1-CE1 3.71Å; Y219-Y223 HydrophobicContact CD1-CG 4.44Å; Y219-Y223 HydrophobicContact CE1-CD1 4.19Å; Y219-Y223 AromaticContact CE1-CE1 3.84Å; Y219-Y223 HydrophobicContact CE1-CE1 3.84Å; Y219-Y223 HydrophobicContact CG-CD1 4.13Å; H220-Y223 WeakPolarHBondContact O-CB 3.36Å; H220-Y223 PolarHBondContact O-N 3.31Å; Y223-Y225 VanDerWaalsContact C-N 3.32Å; Y223-Y225 PolarHBondContact O-N 3.29Å; Y223-F226 WeakPolarHBondContact O-CB 3.42Å; Y223-F226 PolarHBondContact O-N 2.91Å; Y223-F226 VanDerWaalsContact O-N 3.1Å; Y223-V227 HydrophobicContact CD2-CG2 4.37Å; Y223-V227 HydrophobicContact CE1-CG2 4.16Å; Y223-V227 HydrophobicContact CE2-CG2 3.94Å; Y223-V227 PolarHBondContact O-N 3.47Å |
| 224 | R | 87.4 | Confident | 88.6 | Confident | 54 Ų | 54 | 67.3 Ų | 67.3 | 20% | 0.204 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 179.1 | -64.4 | -176.8 | -174.7 | 158.9 | 1.8 | 113 | N87 I90 G212 L222 F226 V227 E228 | N87-R224 PolarHBondContact OD1-NH1 3.38Å; I90-R224 HydrophobicContact CD1-CB 3.81Å; I90-R224 HydrophobicContact CD1-CG 4.33Å; G212-R224 PolarHBondContact O-NE 3.31Å; G212-R224 PolarHBondContact O-NH2 2.88Å; L222-R224 PolarHBondContact O-N 2.96Å; R224-F226 VanDerWaalsContact C-N 3.32Å; R224-F226 PolarHBondContact O-N 3.11Å; R224-V227 PolarHBondContact O-N 2.99Å; R224-E228 WeakPolarHBondContact O-CB 3.46Å; R224-E228 PolarHBondContact O-N 3.25Å |
| 225 | Y | 89.8 | Confident | 89 | Confident | 106 Ų | 106 | 64.6 Ų | 64.6 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.1 | -32.2 | 176.1 | -62.7 | -73.7 | 0 | 0 | 0 | 112.1 | M89 L222 Y223 L229 | M89-Y225 HydrophobicContact SD-CE1 4.33Å; L222-Y225 HydrophobicContact CD2-CD2 4.33Å; L222-Y225 PolarHBondContact O-N 3.32Å; L222-Y225 VanDerWaalsContact O-N 3.1Å; Y223-Y225 VanDerWaalsContact C-N 3.32Å; Y223-Y225 PolarHBondContact O-N 3.29Å; Y225-L229 VanDerWaalsContact O-CB 3.28Å; Y225-L229 WeakPolarHBondContact O-CB 3.24Å; Y225-L229 PolarHBondContact O-N 2.84Å |
| 226 | F | 93.4 | Very high | 89.5 | Confident | 131 Ų | 131 | 61.8 Ų | 61.8 | 58% | 0.575 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -71.1 | -40 | 171.9 | -70 | -56.8 | 0 | 0 | 0 | 112.7 | L222 Y223 R224 L229 W230 | L222-F226 HydrophobicContact CB-CD2 3.96Å; L222-F226 HydrophobicContact CB-CE2 3.56Å; L222-F226 HydrophobicContact CB-CZ 4.34Å; L222-F226 HydrophobicContact CD1-CE2 4.29Å; L222-F226 HydrophobicContact CD1-CZ 4.43Å; L222-F226 VanDerWaalsContact O-CD2 3.24Å; L222-F226 WeakPolarHBondContact O-CD2 3.33Å; L222-F226 PolarHBondContact O-N 3.48Å; Y223-F226 WeakPolarHBondContact O-CB 3.42Å; Y223-F226 PolarHBondContact O-N 2.91Å; Y223-F226 VanDerWaalsContact O-N 3.1Å; R224-F226 VanDerWaalsContact C-N 3.32Å; R224-F226 PolarHBondContact O-N 3.11Å; F226-L229 PolarHBondContact O-N 3Å; F226-W230 WeakPolarHBondContact O-CB 3.41Å; F226-W230 PolarHBondContact O-N 3.01Å |
| 227 | V | 93.9 | Very high | 90 | Very high | 16 Ų | 16 | 58.1 Ų | 58.1 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.4 | -50.1 | 172.5 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | F182 A211 Y223 R224 L229 W230 I231 | F182-V227 HydrophobicContact CE1-CG2 4.46Å; A211-V227 HydrophobicContact CB-CG1 4.14Å; A211-V227 HydrophobicContact CB-CG2 4.29Å; Y223-V227 HydrophobicContact CD2-CG2 4.37Å; Y223-V227 HydrophobicContact CE1-CG2 4.16Å; Y223-V227 HydrophobicContact CE2-CG2 3.94Å; Y223-V227 PolarHBondContact O-N 3.47Å; R224-V227 PolarHBondContact O-N 2.99Å; V227-L229 VanDerWaalsContact C-N 3.34Å; V227-L229 PolarHBondContact O-N 3.29Å; V227-W230 HydrophobicContact CG1-CE3 4.2Å; V227-W230 HydrophobicContact CG1-CZ3 4.43Å; V227-W230 WeakPolarHBondContact O-CB 3.41Å; V227-W230 PolarHBondContact O-N 2.98Å; V227-W230 VanDerWaalsContact O-N 3.1Å; V227-I231 HydrophobicContact CG1-CD1 4.09Å; V227-I231 WeakPolarHBondContact O-CG1 3.31Å; V227-I231 PolarHBondContact O-N 3.47Å |
| 228 | E | 91.7 | Very high | 90.3 | Very high | 20 Ų | 20 | 58.8 Ų | 58.8 | 9% | 0.093 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.2 | -42 | 179 | -168.5 | 60.4 | -147.2 | 0 | 0 | 112.2 | A93 R224 W230 I231 Y232 | A93-E228 VanDerWaalsContact CB-OE1 3.25Å; A93-E228 WeakPolarHBondContact CB-OE1 3.4Å; R224-E228 WeakPolarHBondContact O-CB 3.46Å; R224-E228 PolarHBondContact O-N 3.25Å; E228-W230 PolarHBondContact O-N 3.31Å; E228-I231 WeakPolarHBondContact O-CB 3.38Å; E228-I231 PolarHBondContact O-N 3.49Å; E228-Y232 HydrophobicContact CG-CD2 4.36Å; E228-Y232 HydrophobicContact CG-CE2 3.66Å; E228-Y232 WeakPolarHBondContact O-CD2 3.37Å; E228-Y232 PolarHBondContact O-N 3.08Å; E228-Y232 WeakPolarHBondContact OE1-CE1 3.32Å; E228-Y232 PolarHBondContact OE1-OH 3.02Å; E228-Y232 VanDerWaalsContact OE1-OH 3.04Å |
| 229 | L | 93.2 | Very high | 90.3 | Very high | 91 Ų | 91 | 51.5 Ų | 51.5 | 48% | 0.476 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 174 | -180 | 62.5 | 0 | 0 | 0 | 112.3 | Y225 F226 V227 Y232 L233 | Y225-L229 VanDerWaalsContact O-CB 3.28Å; Y225-L229 WeakPolarHBondContact O-CB 3.24Å; Y225-L229 PolarHBondContact O-N 2.84Å; F226-L229 PolarHBondContact O-N 3Å; V227-L229 VanDerWaalsContact C-N 3.34Å; V227-L229 PolarHBondContact O-N 3.29Å; L229-Y232 PolarHBondContact O-N 3Å; L229-L233 HydrophobicContact CD1-CD1 4.49Å; L229-L233 HydrophobicContact CG-CD1 4.22Å; L229-L233 VanDerWaalsContact O-CG 3.25Å; L229-L233 WeakPolarHBondContact O-CG 3.3Å; L229-L233 PolarHBondContact O-N 3.44Å |
| 230 | W | 95.6 | Very high | 90.1 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 14% | 0.136 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 174.6 | 161.3 | 78.1 | 0 | 0 | 0 | 111.8 | V173 H174 P178 F182 Y196 T200 I201 F226 V227 E228 L233 G234 | V173-W230 PolarHBondContact O-NE1 2.91Å; H174-W230 AromaticContact CD2-CD1 3.88Å; H174-W230 AromaticContact CD2-NE1 3.69Å; P178-W230 HydrophobicContact CB-CH2 4.46Å; P178-W230 HydrophobicContact CB-CZ2 3.75Å; P178-W230 HydrophobicContact CG-CZ2 3.67Å; F182-W230 HydrophobicContact CE2-CH2 4.1Å; F182-W230 HydrophobicContact CE2-CZ3 4.42Å; F182-W230 HydrophobicContact CZ-CE3 4.45Å; F182-W230 HydrophobicContact CZ-CH2 4.07Å; F182-W230 AromaticContact CZ-CZ3 3.93Å; F182-W230 HydrophobicContact CZ-CZ3 3.93Å; Y196-W230 HydrophobicContact CE1-CH2 4.27Å; Y196-W230 HydrophobicContact CE1-CZ3 4.09Å; T200-W230 HydrophobicContact CG2-CZ3 4.42Å; I201-W230 HydrophobicContact CD1-CH2 4.48Å; I201-W230 HydrophobicContact CD1-CZ2 4.12Å; I201-W230 HydrophobicContact CG1-CH2 4.42Å; I201-W230 HydrophobicContact CG1-CZ2 4.2Å; F226-W230 WeakPolarHBondContact O-CB 3.41Å; F226-W230 PolarHBondContact O-N 3.01Å; V227-W230 HydrophobicContact CG1-CE3 4.2Å; V227-W230 HydrophobicContact CG1-CZ3 4.43Å; V227-W230 WeakPolarHBondContact O-CB 3.41Å; V227-W230 PolarHBondContact O-N 2.98Å; V227-W230 VanDerWaalsContact O-N 3.1Å; E228-W230 PolarHBondContact O-N 3.31Å; W230-L233 PolarHBondContact O-N 2.84Å; W230-G234 PolarHBondContact O-N 3.16Å |
| 231 | I | 94.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -51.9 | 173.5 | -67 | 173.2 | 0 | 0 | 0 | 110.3 | I99 T200 V227 E228 L233 G234 L235 | I99-I231 HydrophobicContact CD1-CG2 3.49Å; I99-I231 VanDerWaalsContact CD1-CG2 3.49Å; T200-I231 HydrophobicContact CG2-CD1 3.64Å; T200-I231 HydrophobicContact CG2-CG1 3.66Å; T200-I231 HydrophobicContact CG2-CG2 4.37Å; V227-I231 HydrophobicContact CG1-CD1 4.09Å; V227-I231 WeakPolarHBondContact O-CG1 3.31Å; V227-I231 PolarHBondContact O-N 3.47Å; E228-I231 WeakPolarHBondContact O-CB 3.38Å; E228-I231 PolarHBondContact O-N 3.49Å; I231-L233 VanDerWaalsContact C-N 3.33Å; I231-L233 PolarHBondContact O-N 3.44Å; I231-G234 CarbonylContact O-C 3.59Å; I231-G234 WeakPolarHBondContact O-CA 3.49Å; I231-G234 PolarHBondContact O-N 2.92Å; I231-L235 HydrophobicContact CG2-CD1 4.03Å; I231-L235 HydrophobicContact CG2-CG 4.26Å; I231-L235 WeakPolarHBondContact O-CG 3.49Å; I231-L235 PolarHBondContact O-N 3.29Å |
| 232 | Y | 92.9 | Very high | 89.7 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60 | -39.4 | 179 | -65.2 | -41.9 | 0 | 0 | 0 | 113.5 | A93 T97 W129 E228 L229 G234 A236 | A93-Y232 VanDerWaalsContact CB-OH 3.24Å; A93-Y232 WeakPolarHBondContact CB-OH 3.36Å; T97-Y232 HydrophobicContact CG2-CD1 4.17Å; T97-Y232 HydrophobicContact CG2-CE1 3.72Å; W129-Y232 HydrophobicContact CH2-CD1 4.02Å; W129-Y232 AromaticContact CH2-CD2 3.98Å; W129-Y232 HydrophobicContact CH2-CD2 3.98Å; W129-Y232 HydrophobicContact CH2-CE1 4.33Å; W129-Y232 HydrophobicContact CH2-CE2 4.31Å; W129-Y232 AromaticContact CH2-CG 3.84Å; W129-Y232 HydrophobicContact CH2-CG 3.84Å; W129-Y232 AromaticContact CZ3-CD1 3.72Å; W129-Y232 HydrophobicContact CZ3-CD1 3.72Å; W129-Y232 AromaticContact CZ3-CE1 3.96Å; W129-Y232 HydrophobicContact CZ3-CE1 3.96Å; W129-Y232 HydrophobicContact CZ3-CG 4.02Å; E228-Y232 HydrophobicContact CG-CD2 4.36Å; E228-Y232 HydrophobicContact CG-CE2 3.66Å; E228-Y232 WeakPolarHBondContact O-CD2 3.37Å; E228-Y232 PolarHBondContact O-N 3.08Å; E228-Y232 WeakPolarHBondContact OE1-CE1 3.32Å; E228-Y232 PolarHBondContact OE1-OH 3.02Å; E228-Y232 VanDerWaalsContact OE1-OH 3.04Å; L229-Y232 PolarHBondContact O-N 3Å; Y232-G234 VanDerWaalsContact C-N 3.32Å; Y232-A236 WeakPolarHBondContact O-CB 3.28Å; Y232-A236 PolarHBondContact O-N 2.89Å |
| 233 | L | 92.7 | Very high | 89.2 | Confident | 72 Ų | 72 | 46 Ų | 46 | 38% | 0.377 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.9 | -38.5 | 175 | -69.4 | 171.8 | 0 | 0 | 0 | 111.6 | F137 L229 W230 I231 A236 W237 | F137-L233 HydrophobicContact CE2-CD2 4.05Å; F137-L233 HydrophobicContact CZ-CD2 3.58Å; L229-L233 HydrophobicContact CD1-CD1 4.49Å; L229-L233 HydrophobicContact CG-CD1 4.22Å; L229-L233 VanDerWaalsContact O-CG 3.25Å; L229-L233 WeakPolarHBondContact O-CG 3.3Å; L229-L233 PolarHBondContact O-N 3.44Å; W230-L233 PolarHBondContact O-N 2.84Å; I231-L233 VanDerWaalsContact C-N 3.33Å; I231-L233 PolarHBondContact O-N 3.44Å; L233-A236 PolarHBondContact O-N 2.91Å; L233-W237 WeakPolarHBondContact O-CB 3.47Å; L233-W237 PolarHBondContact O-N 3.37Å |
| 234 | G | 93 | Very high | 88.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65 | -46.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | H174 W230 I231 Y232 W237 L238 | H174-G234 WeakPolarHBondContact CD2-CA 3.31Å; H174-G234 WeakPolarHBondContact NE2-CA 3.31Å; H174-G234 PolarHBondContact NE2-N 3.45Å; W230-G234 PolarHBondContact O-N 3.16Å; I231-G234 CarbonylContact O-C 3.59Å; I231-G234 WeakPolarHBondContact O-CA 3.49Å; I231-G234 PolarHBondContact O-N 2.92Å; Y232-G234 VanDerWaalsContact C-N 3.32Å; G234-W237 WeakPolarHBondContact O-CB 3.44Å; G234-W237 PolarHBondContact O-N 3.35Å; G234-L238 WeakPolarHBondContact O-CB 3.48Å; G234-L238 PolarHBondContact O-N 3.49Å |
| 235 | L | 92 | Very high | 87.9 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.5 | -39.4 | 175.2 | -63.5 | 179.6 | 0 | 0 | 0 | 111.6 | T97 I99 I130 T203 I231 W237 L238 S239 | T97-L235 HydrophobicContact CG2-CD1 3.75Å; I99-L235 HydrophobicContact CD1-CD1 4.39Å; I130-L235 HydrophobicContact CD1-CB 4.11Å; I130-L235 HydrophobicContact CD1-CD1 4.12Å; I130-L235 HydrophobicContact CG2-CB 4.41Å; T203-L235 HydrophobicContact CG2-CD2 3.42Å; T203-L235 VanDerWaalsContact CG2-CD2 3.42Å; I231-L235 HydrophobicContact CG2-CD1 4.03Å; I231-L235 HydrophobicContact CG2-CG 4.26Å; I231-L235 WeakPolarHBondContact O-CG 3.49Å; I231-L235 PolarHBondContact O-N 3.29Å; L235-W237 PolarHBondContact O-N 2.93Å; L235-L238 PolarHBondContact O-N 2.85Å; L235-S239 WeakPolarHBondContact O-CB 3.33Å; L235-S239 PolarHBondContact O-N 2.92Å |
| 236 | A | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L133 F137 Y232 L233 S239 L240 | L133-A236 HydrophobicContact CB-CB 3.88Å; F137-A236 HydrophobicContact CD2-CB 4.22Å; F137-A236 HydrophobicContact CE2-CB 4.17Å; Y232-A236 WeakPolarHBondContact O-CB 3.28Å; Y232-A236 PolarHBondContact O-N 2.89Å; L233-A236 PolarHBondContact O-N 2.91Å; A236-S239 PolarHBondContact O-OG 3.1Å; A236-L240 PolarHBondContact O-N 2.94Å |
| 237 | W | 89.7 | Confident | 86.4 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 173.3 | 173.3 | 87.7 | 0 | 0 | 0 | 112.5 | F166 V171 L233 G234 L235 S239 L240 F241 | F166-W237 AromaticContact CD1-NE1 3.87Å; F166-W237 AromaticContact CE1-CD1 3.31Å; F166-W237 HydrophobicContact CE1-CG 4.34Å; F166-W237 AromaticContact CE1-NE1 3.53Å; F166-W237 AromaticContact CZ-CD1 3.37Å; F166-W237 HydrophobicContact CZ-CG 4.35Å; F166-W237 PolarHBondContact O-NE1 3.46Å; V171-W237 HydrophobicContact CG2-CH2 4.15Å; V171-W237 HydrophobicContact CG2-CZ2 4.28Å; L233-W237 WeakPolarHBondContact O-CB 3.47Å; L233-W237 PolarHBondContact O-N 3.37Å; G234-W237 WeakPolarHBondContact O-CB 3.44Å; G234-W237 PolarHBondContact O-N 3.35Å; L235-W237 PolarHBondContact O-N 2.93Å; W237-S239 VanDerWaalsContact C-N 3.34Å; W237-S239 PolarHBondContact O-N 3.26Å; W237-L240 WeakPolarHBondContact O-CB 3.33Å; W237-L240 PolarHBondContact O-N 3.45Å; W237-L240 VanDerWaalsContact O-N 3.16Å; W237-F241 PolarHBondContact O-N 3.08Å |
| 238 | L | 88 | Confident | 85.6 | Confident | 46 Ų | 46 | 51.4 Ų | 51.4 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 178.1 | -178.4 | 61.9 | 0 | 0 | 0 | 111.1 | I201 G234 L235 L240 F241 V242 | I201-L238 WeakPolarHBondContact O-CD2 3.25Å; G234-L238 WeakPolarHBondContact O-CB 3.48Å; G234-L238 PolarHBondContact O-N 3.49Å; L235-L238 PolarHBondContact O-N 2.85Å; L238-L240 VanDerWaalsContact C-N 3.26Å; L238-L240 PolarHBondContact O-N 3.22Å; L238-F241 HydrophobicContact CD1-CD1 4.36Å; L238-F241 WeakPolarHBondContact O-CB 3.44Å; L238-F241 PolarHBondContact O-N 3.09Å; L238-F241 VanDerWaalsContact O-N 3.08Å; L238-V242 HydrophobicContact CD1-CG2 4.45Å; L238-V242 HydrophobicContact CG-CG2 4.5Å; L238-V242 WeakPolarHBondContact O-CG2 3.4Å; L238-V242 PolarHBondContact O-N 3.34Å |
| 239 | S | 84.7 | Confident | 85.1 | Confident | 21 Ų | 21 | 57 Ų | 57 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -38 | 175.8 | 83.9 | 0 | 0 | 0 | 0 | 112.2 | L235 A236 W237 N243 | L235-S239 WeakPolarHBondContact O-CB 3.33Å; L235-S239 PolarHBondContact O-N 2.92Å; A236-S239 PolarHBondContact O-OG 3.1Å; W237-S239 VanDerWaalsContact C-N 3.34Å; W237-S239 PolarHBondContact O-N 3.26Å; S239-N243 WeakPolarHBondContact O-CB 3.4Å; S239-N243 PolarHBondContact O-N 3.37Å; S239-N243 PolarHBondContact O-ND2 3.48Å |
| 240 | L | 81.6 | Confident | 84.5 | Confident | 30 Ų | 30 | 55.8 Ų | 55.8 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 174.3 | -90.2 | 176.5 | 0 | 0 | 0 | 112 | G134 F137 F166 A236 W237 L238 N243 W244 | G134-L240 VanDerWaalsContact O-CD1 3.25Å; G134-L240 WeakPolarHBondContact O-CD1 3.29Å; G134-L240 VanDerWaalsContact O-CD2 3.25Å; G134-L240 WeakPolarHBondContact O-CD2 3.4Å; G134-L240 VanDerWaalsContact O-CG 3.3Å; G134-L240 WeakPolarHBondContact O-CG 3.45Å; F137-L240 HydrophobicContact CB-CD1 3.67Å; F166-L240 HydrophobicContact CE1-CB 4.07Å; F166-L240 HydrophobicContact CE1-CD1 3.78Å; F166-L240 HydrophobicContact CE2-CD1 4.26Å; F166-L240 HydrophobicContact CZ-CB 4.4Å; F166-L240 HydrophobicContact CZ-CD1 3.36Å; A236-L240 PolarHBondContact O-N 2.94Å; W237-L240 WeakPolarHBondContact O-CB 3.33Å; W237-L240 PolarHBondContact O-N 3.45Å; W237-L240 VanDerWaalsContact O-N 3.16Å; L238-L240 VanDerWaalsContact C-N 3.26Å; L238-L240 PolarHBondContact O-N 3.22Å; L240-N243 PolarHBondContact O-N 3.38Å; L240-W244 VanDerWaalsContact O-CB 3.29Å; L240-W244 WeakPolarHBondContact O-CB 3.33Å; L240-W244 PolarHBondContact O-N 2.96Å |
| 241 | F | 80.8 | Confident | 83.8 | Confident | 71 Ų | 71 | 60.2 Ų | 60.2 | 31% | 0.311 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 176.9 | 177.7 | -103.1 | 0 | 0 | 0 | 111.7 | I167 W237 L238 W244 K245 | I167-F241 HydrophobicContact CD1-CD2 4.37Å; I167-F241 HydrophobicContact CD1-CE2 4.33Å; I167-F241 HydrophobicContact CG1-CD2 4.34Å; W237-F241 PolarHBondContact O-N 3.08Å; L238-F241 HydrophobicContact CD1-CD1 4.36Å; L238-F241 WeakPolarHBondContact O-CB 3.44Å; L238-F241 PolarHBondContact O-N 3.09Å; L238-F241 VanDerWaalsContact O-N 3.08Å; F241-W244 PolarHBondContact O-N 2.9Å; F241-K245 VanDerWaalsContact O-CB 3.28Å; F241-K245 WeakPolarHBondContact O-CB 3.25Å; F241-K245 PolarHBondContact O-N 3Å |
| 242 | V | 80.5 | Confident | 83.2 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.1 | -50.4 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | L238 W244 K245 V246 | L238-V242 HydrophobicContact CD1-CG2 4.45Å; L238-V242 HydrophobicContact CG-CG2 4.5Å; L238-V242 WeakPolarHBondContact O-CG2 3.4Å; L238-V242 PolarHBondContact O-N 3.34Å; V242-W244 VanDerWaalsContact C-N 3.29Å; V242-W244 PolarHBondContact O-N 3.47Å; V242-K245 PolarHBondContact O-N 3.37Å; V242-V246 WeakPolarHBondContact O-CG2 3.28Å; V242-V246 PolarHBondContact O-N 3.32Å |
| 243 | N | 75.7 | Confident | 82.7 | Confident | 87 Ų | 87 | 64.8 Ų | 64.8 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59 | -39.6 | 177.2 | -80.3 | -61.3 | 0 | 0 | 0 | 112.4 | S239 L240 S247 | S239-N243 WeakPolarHBondContact O-CB 3.4Å; S239-N243 PolarHBondContact O-N 3.37Å; S239-N243 PolarHBondContact O-ND2 3.48Å; L240-N243 PolarHBondContact O-N 3.38Å; N243-S247 PolarHBondContact O-N 3.19Å; N243-S247 PolarHBondContact O-OG 3.16Å |
| 244 | W | 76.3 | Confident | 82.5 | Confident | 91 Ų | 91 | 68.1 Ų | 68.1 | 35% | 0.345 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.9 | -42.9 | 176.6 | -178.3 | 71.5 | 0 | 0 | 0 | 112.5 | T163 I167 L240 F241 V242 V246 S247 M248 | T163-W244 HydrophobicContact CG2-CD2 3.83Å; T163-W244 HydrophobicContact CG2-CE3 4.12Å; T163-W244 HydrophobicContact CG2-CG 4.47Å; T163-W244 HydrophobicContact CG2-CH2 3.85Å; T163-W244 HydrophobicContact CG2-CZ2 3.56Å; T163-W244 HydrophobicContact CG2-CZ3 4.13Å; I167-W244 HydrophobicContact CD1-CE3 4.12Å; I167-W244 HydrophobicContact CD1-CH2 4.23Å; I167-W244 HydrophobicContact CD1-CZ3 3.65Å; L240-W244 VanDerWaalsContact O-CB 3.29Å; L240-W244 WeakPolarHBondContact O-CB 3.33Å; L240-W244 PolarHBondContact O-N 2.96Å; F241-W244 PolarHBondContact O-N 2.9Å; V242-W244 VanDerWaalsContact C-N 3.29Å; V242-W244 PolarHBondContact O-N 3.47Å; W244-V246 VanDerWaalsContact C-N 3.33Å; W244-V246 PolarHBondContact O-N 3.49Å; W244-S247 WeakPolarHBondContact O-CB 3.24Å; W244-S247 PolarHBondContact O-N 3.1Å; W244-S247 VanDerWaalsContact O-N 3.15Å; W244-M248 HydrophobicContact CH2-CE 4.48Å; W244-M248 HydrophobicContact CH2-CG 4.39Å; W244-M248 HydrophobicContact CH2-SD 3.35Å; W244-M248 WeakPolarHBondContact CH2-SD 3.41Å; W244-M248 HydrophobicContact CZ2-CB 4.26Å; W244-M248 HydrophobicContact CZ2-CG 4.18Å; W244-M248 HydrophobicContact CZ2-SD 3.69Å; W244-M248 HydrophobicContact CZ3-SD 3.96Å; W244-M248 WeakPolarHBondContact O-CB 3.45Å; W244-M248 PolarHBondContact O-N 3.05Å |
| 245 | K | 75.5 | Confident | 82.1 | Confident | 124 Ų | 124 | 71 Ų | 71 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.7 | -45.8 | 175.5 | 174 | -174.5 | 169 | -176.4 | 0 | 111.3 | F241 V242 S247 M248 F249 | F241-K245 VanDerWaalsContact O-CB 3.28Å; F241-K245 WeakPolarHBondContact O-CB 3.25Å; F241-K245 PolarHBondContact O-N 3Å; V242-K245 PolarHBondContact O-N 3.37Å; K245-S247 VanDerWaalsContact C-N 3.35Å; K245-S247 PolarHBondContact O-N 3.1Å; K245-M248 PolarHBondContact O-N 2.89Å; K245-F249 VanDerWaalsContact O-CB 3.25Å; K245-F249 WeakPolarHBondContact O-CB 3.34Å; K245-F249 PolarHBondContact O-N 3.04Å |
| 246 | V | 77.9 | Confident | 81.8 | Confident | 90 Ų | 90 | 75.3 Ų | 75.3 | 55% | 0.545 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 177 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | V242 W244 F249 V250 | V242-V246 WeakPolarHBondContact O-CG2 3.28Å; V242-V246 PolarHBondContact O-N 3.32Å; W244-V246 VanDerWaalsContact C-N 3.33Å; W244-V246 PolarHBondContact O-N 3.49Å; V246-F249 PolarHBondContact O-N 3.22Å; V246-V250 WeakPolarHBondContact O-CG2 3.47Å; V246-V250 PolarHBondContact O-N 3.5Å; V246-V250 VanDerWaalsContact O-N 3.17Å |
| 247 | S | 74.9 | Confident | 81.7 | Confident | 66 Ų | 66 | 83 Ų | 83 | 46% | 0.462 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 178.1 | -57.1 | 0 | 0 | 0 | 0 | 112 | N243 W244 K245 F249 V250 E251 | N243-S247 PolarHBondContact O-N 3.19Å; N243-S247 PolarHBondContact O-OG 3.16Å; W244-S247 WeakPolarHBondContact O-CB 3.24Å; W244-S247 PolarHBondContact O-N 3.1Å; W244-S247 VanDerWaalsContact O-N 3.15Å; K245-S247 VanDerWaalsContact C-N 3.35Å; K245-S247 PolarHBondContact O-N 3.1Å; S247-F249 PolarHBondContact O-N 2.94Å; S247-V250 PolarHBondContact O-N 2.85Å; S247-E251 PolarHBondContact O-N 3.07Å |
| 248 | M | 76.6 | Confident | 81.8 | Confident | 77 Ų | 77 | 88.1 Ų | 88.1 | 38% | 0.379 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 178.7 | -170.6 | -167.9 | 71.2 | 0 | 0 | 111.8 | W244 K245 V250 E251 V252 | W244-M248 HydrophobicContact CH2-CE 4.48Å; W244-M248 HydrophobicContact CH2-CG 4.39Å; W244-M248 HydrophobicContact CH2-SD 3.35Å; W244-M248 WeakPolarHBondContact CH2-SD 3.41Å; W244-M248 HydrophobicContact CZ2-CB 4.26Å; W244-M248 HydrophobicContact CZ2-CG 4.18Å; W244-M248 HydrophobicContact CZ2-SD 3.69Å; W244-M248 HydrophobicContact CZ3-SD 3.96Å; W244-M248 WeakPolarHBondContact O-CB 3.45Å; W244-M248 PolarHBondContact O-N 3.05Å; K245-M248 PolarHBondContact O-N 2.89Å; M248-V250 VanDerWaalsContact C-N 3.32Å; M248-V250 PolarHBondContact O-N 2.81Å; M248-E251 PolarHBondContact O-N 3.44Å; M248-V252 HydrophobicContact CG-CG2 4.04Å; M248-V252 WeakPolarHBondContact O-CB 3.3Å; M248-V252 VanDerWaalsContact O-CG2 3.3Å; M248-V252 WeakPolarHBondContact O-CG2 3.16Å; M248-V252 PolarHBondContact O-N 3.49Å |
| 249 | F | 79.8 | Confident | 81.7 | Confident | 138 Ų | 138 | 94 Ų | 94 | 61% | 0.605 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.9 | -41.9 | 178.4 | -176.2 | -99.4 | 0 | 0 | 0 | 111.6 | K245 V246 S247 H253 | K245-F249 VanDerWaalsContact O-CB 3.25Å; K245-F249 WeakPolarHBondContact O-CB 3.34Å; K245-F249 PolarHBondContact O-N 3.04Å; V246-F249 PolarHBondContact O-N 3.22Å; S247-F249 PolarHBondContact O-N 2.94Å; F249-H253 WeakPolarHBondContact O-CB 3.24Å; F249-H253 PolarHBondContact O-N 3.33Å |
| 250 | V | 81.9 | Confident | 81.8 | Confident | 65 Ų | 65 | 102.6 Ų | 102.6 | 39% | 0.394 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 174.2 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | V246 S247 M248 K254 | V246-V250 WeakPolarHBondContact O-CG2 3.47Å; V246-V250 PolarHBondContact O-N 3.5Å; V246-V250 VanDerWaalsContact O-N 3.17Å; S247-V250 PolarHBondContact O-N 2.85Å; M248-V250 VanDerWaalsContact C-N 3.32Å; M248-V250 PolarHBondContact O-N 2.81Å; V250-K254 HydrophobicContact CG1-CD 4.04Å; V250-K254 WeakPolarHBondContact O-CB 3.32Å; V250-K254 VanDerWaalsContact O-CG 3.22Å; V250-K254 WeakPolarHBondContact O-CG 3.33Å; V250-K254 PolarHBondContact O-N 3.35Å |
| 251 | E | 81.6 | Confident | 82.1 | Confident | 128 Ų | 128 | 109.3 Ų | 109.3 | 60% | 0.598 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.4 | -46.6 | 177 | -72.8 | -173.5 | 177 | 0 | 0 | 112.9 | S247 M248 K254 A255 | S247-E251 PolarHBondContact O-N 3.07Å; M248-E251 PolarHBondContact O-N 3.44Å; E251-K254 WeakPolarHBondContact O-CB 3.29Å; E251-K254 PolarHBondContact O-N 2.9Å; E251-A255 WeakPolarHBondContact O-CB 3.33Å; E251-A255 PolarHBondContact O-N 3.04Å |
| 252 | V | 82.3 | Confident | 82.4 | Confident | 68 Ų | 68 | 113.6 Ų | 113.6 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 177.6 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | M248 K254 A255 I256 | M248-V252 HydrophobicContact CG-CG2 4.04Å; M248-V252 WeakPolarHBondContact O-CB 3.3Å; M248-V252 VanDerWaalsContact O-CG2 3.3Å; M248-V252 WeakPolarHBondContact O-CG2 3.16Å; M248-V252 PolarHBondContact O-N 3.49Å; V252-K254 PolarHBondContact O-N 2.96Å; V252-A255 PolarHBondContact O-N 3.4Å; V252-A255 VanDerWaalsContact O-N 3.17Å; V252-I256 HydrophobicContact CG1-CD1 3.7Å; V252-I256 HydrophobicContact CG1-CG1 4.33Å; V252-I256 WeakPolarHBondContact O-CB 3.19Å; V252-I256 VanDerWaalsContact O-CG1 3.31Å; V252-I256 WeakPolarHBondContact O-CG1 3.48Å; V252-I256 PolarHBondContact O-N 3.27Å |
| 253 | H | 81.8 | Confident | 82.5 | Confident | 80 Ų | 80 | 117.9 Ų | 117.9 | 37% | 0.37 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -38.5 | 176.8 | -171.3 | -149.5 | 0 | 0 | 0 | 111.8 | F249 K257 | F249-H253 WeakPolarHBondContact O-CB 3.24Å; F249-H253 PolarHBondContact O-N 3.33Å; H253-K257 VanDerWaalsContact O-CB 3.32Å; H253-K257 WeakPolarHBondContact O-CB 3.44Å; H253-K257 PolarHBondContact O-N 2.81Å |
| 254 | K | 87.6 | Confident | 82.9 | Confident | 143 Ų | 143 | 120 Ų | 120 | 62% | 0.622 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 170.3 | -75.6 | 168.3 | -179.3 | 173 | 0 | 111.7 | V250 E251 V252 K257 K258 | V250-K254 HydrophobicContact CG1-CD 4.04Å; V250-K254 WeakPolarHBondContact O-CB 3.32Å; V250-K254 VanDerWaalsContact O-CG 3.22Å; V250-K254 WeakPolarHBondContact O-CG 3.33Å; V250-K254 PolarHBondContact O-N 3.35Å; E251-K254 WeakPolarHBondContact O-CB 3.29Å; E251-K254 PolarHBondContact O-N 2.9Å; V252-K254 PolarHBondContact O-N 2.96Å; K254-K257 PolarHBondContact O-N 3.15Å; K254-K258 WeakPolarHBondContact O-CB 3.35Å; K254-K258 PolarHBondContact O-N 3.39Å |
| 255 | A | 86.2 | Confident | 83.3 | Confident | 59 Ų | 59 | 119.5 Ų | 119.5 | 49% | 0.488 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E251 V252 K258 R259 | E251-A255 WeakPolarHBondContact O-CB 3.33Å; E251-A255 PolarHBondContact O-N 3.04Å; V252-A255 PolarHBondContact O-N 3.4Å; V252-A255 VanDerWaalsContact O-N 3.17Å; A255-K258 WeakPolarHBondContact O-CB 3.45Å; A255-K258 PolarHBondContact O-N 3Å; A255-R259 PolarHBondContact O-N 3.44Å |
| 256 | I | 85.6 | Confident | 83.6 | Confident | 101 Ų | 101 | 117 Ų | 117 | 52% | 0.518 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 174.4 | -68.9 | 168.7 | 0 | 0 | 0 | 110.4 | V252 K258 R259 R260 | V252-I256 HydrophobicContact CG1-CD1 3.7Å; V252-I256 HydrophobicContact CG1-CG1 4.33Å; V252-I256 WeakPolarHBondContact O-CB 3.19Å; V252-I256 VanDerWaalsContact O-CG1 3.31Å; V252-I256 WeakPolarHBondContact O-CG1 3.48Å; V252-I256 PolarHBondContact O-N 3.27Å; I256-K258 VanDerWaalsContact C-N 3.31Å; I256-K258 PolarHBondContact O-N 3.4Å; I256-R259 PolarHBondContact O-N 3.14Å; I256-R259 VanDerWaalsContact O-N 3.16Å; I256-R260 WeakPolarHBondContact O-CB 3.47Å; I256-R260 PolarHBondContact O-N 2.79Å |
| 257 | K | 87.7 | Confident | 83.4 | Confident | 161 Ų | 161 | 120.1 Ų | 120.1 | 70% | 0.7 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.2 | -41.9 | 175.7 | -170.7 | 175.1 | -177.3 | 178.2 | 0 | 111.5 | H253 K254 R260 R261 | H253-K257 VanDerWaalsContact O-CB 3.32Å; H253-K257 WeakPolarHBondContact O-CB 3.44Å; H253-K257 PolarHBondContact O-N 2.81Å; K254-K257 PolarHBondContact O-N 3.15Å; K257-R260 PolarHBondContact O-N 2.78Å; K257-R261 WeakPolarHBondContact O-CB 3.26Å; K257-R261 PolarHBondContact O-N 3.03Å |
| 258 | K | 90 | Very high | 83.3 | Confident | 131 Ų | 131 | 122.3 Ų | 122.3 | 57% | 0.57 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.6 | -42.1 | 174.1 | -173 | 176.6 | -178.1 | 176.2 | 0 | 112.3 | K254 A255 I256 R261 R262 | K254-K258 WeakPolarHBondContact O-CB 3.35Å; K254-K258 PolarHBondContact O-N 3.39Å; A255-K258 WeakPolarHBondContact O-CB 3.45Å; A255-K258 PolarHBondContact O-N 3Å; I256-K258 VanDerWaalsContact C-N 3.31Å; I256-K258 PolarHBondContact O-N 3.4Å; K258-R261 PolarHBondContact O-N 2.88Å; K258-R262 WeakPolarHBondContact O-CG 3.25Å; K258-R262 PolarHBondContact O-N 3.35Å |
| 259 | R | 87.9 | Confident | 82.8 | Confident | 169 Ų | 169 | 122.9 Ų | 122.9 | 64% | 0.638 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.8 | -41.4 | 176.8 | -164.8 | 177.8 | -171.2 | -173.4 | 3.1 | 111.9 | A255 I256 R262 R263 | A255-R259 PolarHBondContact O-N 3.44Å; I256-R259 PolarHBondContact O-N 3.14Å; I256-R259 VanDerWaalsContact O-N 3.16Å; R259-R262 PolarHBondContact O-N 3.3Å; R259-R263 WeakPolarHBondContact O-CG 3.18Å; R259-R263 PolarHBondContact O-N 3.04Å |
| 260 | R | 86.8 | Confident | 81.7 | Confident | 201 Ų | 201 | 118.8 Ų | 118.8 | 76% | 0.758 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.9 | -41.7 | 175.7 | -169.2 | 176.2 | -176.8 | -177.8 | 1.2 | 111.7 | I256 K257 R263 K264 | I256-R260 WeakPolarHBondContact O-CB 3.47Å; I256-R260 PolarHBondContact O-N 2.79Å; K257-R260 PolarHBondContact O-N 2.78Å; R260-R263 PolarHBondContact O-N 2.98Å; R260-K264 PolarHBondContact O-N 3.01Å; R260-K264 VanDerWaalsContact O-N 3.08Å |
| 261 | R | 87.1 | Confident | 80.5 | Confident | 171 Ų | 171 | 120.8 Ų | 120.8 | 65% | 0.645 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.8 | -50.3 | 174 | -179.1 | 174.8 | 168.7 | 176.4 | -1.8 | 111.6 | K257 K258 R263 K264 E265 | K257-R261 WeakPolarHBondContact O-CB 3.26Å; K257-R261 PolarHBondContact O-N 3.03Å; K258-R261 PolarHBondContact O-N 2.88Å; R261-R263 VanDerWaalsContact C-N 3.32Å; R261-R263 PolarHBondContact O-N 3.43Å; R261-K264 PolarHBondContact O-N 2.92Å; R261-E265 HydrophobicContact CG-CG 4.43Å; R261-E265 IonicContact CZ-OE1 3.96Å; R261-E265 VanDerWaalsContact CZ-OE1 3.25Å; R261-E265 IonicContact NE-OE1 3.17Å; R261-E265 PolarHBondContact NE-OE1 2.99Å; R261-E265 IonicContact NE-OE2 3.25Å; R261-E265 IonicContact NH2-OE1 2.71Å; R261-E265 PolarHBondContact NH2-OE1 3.3Å; R261-E265 WeakPolarHBondContact O-CG 3.39Å; R261-E265 PolarHBondContact O-N 3.05Å |
| 262 | R | 86.1 | Confident | 79 | Confident | 162 Ų | 162 | 122 Ų | 122 | 61% | 0.611 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.5 | -39.9 | 176.7 | -74.6 | -177.8 | 175.1 | -149.6 | -6.9 | 113.1 | K258 R259 K264 E265 S266 | K258-R262 WeakPolarHBondContact O-CG 3.25Å; K258-R262 PolarHBondContact O-N 3.35Å; R259-R262 PolarHBondContact O-N 3.3Å; R262-K264 VanDerWaalsContact C-N 3.34Å; R262-E265 PolarHBondContact O-N 2.89Å; R262-S266 WeakPolarHBondContact O-CB 3.36Å; R262-S266 PolarHBondContact O-N 3.34Å; R262-S266 PolarHBondContact O-OG 2.94Å; R262-S266 VanDerWaalsContact O-OG 3.12Å |
| 263 | R | 83.8 | Confident | 77.5 | Confident | 164 Ų | 164 | 121.5 Ų | 121.5 | 62% | 0.619 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.2 | -36.2 | 174.5 | -78.5 | -178.4 | 173.3 | 178.2 | -3.6 | 113 | R259 R260 R261 S266 F267 | R259-R263 WeakPolarHBondContact O-CG 3.18Å; R259-R263 PolarHBondContact O-N 3.04Å; R260-R263 PolarHBondContact O-N 2.98Å; R261-R263 VanDerWaalsContact C-N 3.32Å; R261-R263 PolarHBondContact O-N 3.43Å; R263-S266 WeakPolarHBondContact CA-OG 3.33Å; R263-S266 PolarHBondContact O-OG 3.28Å; R263-F267 WeakPolarHBondContact O-CB 3.23Å; R263-F267 PolarHBondContact O-N 3.36Å |
| 264 | K | 84.8 | Confident | 75.8 | Confident | 132 Ų | 132 | 127.6 Ų | 127.6 | 57% | 0.574 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.6 | -45.7 | 175.5 | -162.2 | -177 | -168.5 | -108.2 | 0 | 111.1 | R260 R261 R262 S266 F267 E268 | R260-K264 PolarHBondContact O-N 3.01Å; R260-K264 VanDerWaalsContact O-N 3.08Å; R261-K264 PolarHBondContact O-N 2.92Å; R262-K264 VanDerWaalsContact C-N 3.34Å; K264-S266 VanDerWaalsContact C-N 3.33Å; K264-S266 PolarHBondContact O-N 3.44Å; K264-F267 PolarHBondContact O-N 2.96Å; K264-F267 VanDerWaalsContact O-N 3.1Å; K264-E268 VanDerWaalsContact CE-OE1 3.32Å; K264-E268 WeakPolarHBondContact CE-OE1 3.25Å; K264-E268 IonicContact NZ-OE1 3.94Å; K264-E268 PolarHBondContact NZ-OE1 3.16Å; K264-E268 PolarHBondContact O-N 2.84Å |
| 265 | E | 84.7 | Confident | 73.8 | Confident | 79 Ų | 79 | 128.4 Ų | 128.4 | 37% | 0.369 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.3 | -41.9 | 176.4 | -70.3 | 166.4 | 161.8 | 0 | 0 | 111.3 | R261 R262 F267 E268 S269 | R261-E265 HydrophobicContact CG-CG 4.43Å; R261-E265 IonicContact CZ-OE1 3.96Å; R261-E265 VanDerWaalsContact CZ-OE1 3.25Å; R261-E265 IonicContact NE-OE1 3.17Å; R261-E265 PolarHBondContact NE-OE1 2.99Å; R261-E265 IonicContact NE-OE2 3.25Å; R261-E265 IonicContact NH2-OE1 2.71Å; R261-E265 PolarHBondContact NH2-OE1 3.3Å; R261-E265 WeakPolarHBondContact O-CG 3.39Å; R261-E265 PolarHBondContact O-N 3.05Å; R262-E265 PolarHBondContact O-N 2.89Å; E265-F267 VanDerWaalsContact C-N 3.32Å; E265-F267 PolarHBondContact O-N 2.86Å; E265-E268 PolarHBondContact O-N 3.32Å; E265-S269 WeakPolarHBondContact O-CB 3.44Å; E265-S269 PolarHBondContact O-N 3.46Å; E265-S269 PolarHBondContact O-OG 2.93Å |
| 266 | S | 79.9 | Confident | 71.9 | Confident | 72 Ų | 72 | 129.8 Ų | 129.8 | 50% | 0.503 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.6 | -23.8 | 175.5 | 60 | 0 | 0 | 0 | 0 | 114.7 | R262 R263 K264 S269 | R262-S266 WeakPolarHBondContact O-CB 3.36Å; R262-S266 PolarHBondContact O-N 3.34Å; R262-S266 PolarHBondContact O-OG 2.94Å; R262-S266 VanDerWaalsContact O-OG 3.12Å; R263-S266 WeakPolarHBondContact CA-OG 3.33Å; R263-S266 PolarHBondContact O-OG 3.28Å; K264-S266 VanDerWaalsContact C-N 3.33Å; K264-S266 PolarHBondContact O-N 3.44Å; S266-S269 WeakPolarHBondContact CA-OG 3.3Å; S266-S269 PolarHBondContact O-OG 3.38Å |
| 267 | F | 75.1 | Confident | 70.2 | Confident | 156 Ų | 156 | 132.6 Ų | 132.6 | 68% | 0.684 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -80 | -43 | 175.7 | -175.6 | -96.2 | 0 | 0 | 0 | 110.8 | R263 K264 E265 S269 S270 | R263-F267 WeakPolarHBondContact O-CB 3.23Å; R263-F267 PolarHBondContact O-N 3.36Å; K264-F267 PolarHBondContact O-N 2.96Å; K264-F267 VanDerWaalsContact O-N 3.1Å; E265-F267 VanDerWaalsContact C-N 3.32Å; E265-F267 PolarHBondContact O-N 2.86Å; F267-S269 VanDerWaalsContact C-N 3.3Å; F267-S269 PolarHBondContact O-N 3.39Å; F267-S270 WeakPolarHBondContact O-CB 3.43Å; F267-S270 PolarHBondContact O-N 3.4Å |
| 268 | E | 72.7 | Confident | 68 | Low | 112 Ų | 112 | 133.1 Ų | 133.1 | 52% | 0.523 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.6 | -27.4 | 174.9 | -71.8 | 172.8 | -171.6 | 0 | 0 | 112.6 | K264 E265 S270 | K264-E268 VanDerWaalsContact CE-OE1 3.32Å; K264-E268 WeakPolarHBondContact CE-OE1 3.25Å; K264-E268 IonicContact NZ-OE1 3.94Å; K264-E268 PolarHBondContact NZ-OE1 3.16Å; K264-E268 PolarHBondContact O-N 2.84Å; E265-E268 PolarHBondContact O-N 3.32Å; E268-S270 VanDerWaalsContact C-N 3.33Å |
| 269 | S | 65.1 | Low | 66 | Low | 89 Ų | 89 | 132.8 Ų | 132.8 | 62% | 0.622 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -1.1 | 174.3 | 72.9 | 0 | 0 | 0 | 0 | 114.8 | E265 S266 F267 | E265-S269 WeakPolarHBondContact O-CB 3.44Å; E265-S269 PolarHBondContact O-N 3.46Å; E265-S269 PolarHBondContact O-OG 2.93Å; S266-S269 WeakPolarHBondContact CA-OG 3.3Å; S266-S269 PolarHBondContact O-OG 3.38Å; F267-S269 VanDerWaalsContact C-N 3.3Å; F267-S269 PolarHBondContact O-N 3.39Å |
| 270 | S | 56.4 | Low | 63.7 | Low | 52 Ų | 52 | 135 Ų | 135 | 36% | 0.364 | 65% | 0.648 | S | S | . | * | trans | -76 | 124.1 | 177.9 | -177.5 | 0 | 0 | 0 | 0 | 111 | F267 E268 H272 S273 | F267-S270 WeakPolarHBondContact O-CB 3.43Å; F267-S270 PolarHBondContact O-N 3.4Å; E268-S270 VanDerWaalsContact C-N 3.33Å; S270-H272 PolarHBondContact O-N 3.48Å; S270-S273 PolarHBondContact O-N 3.16Å | ||
| 271 | P | 56.9 | Low | 61.4 | Low | 107 Ų | 107 | 129.4 Ų | 129.4 | 70% | 0.695 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -18.2 | -175.5 | -25.3 | 34.7 | 0 | 0 | 0 | 115.4 | ||
| 272 | H | 51.6 | Low | 59 | Low | 152 Ų | 152 | 127.1 Ų | 127.1 | 70% | 0.704 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -77.1 | -23.5 | -174.2 | -81.2 | -75.2 | 0 | 0 | 0 | 114.9 | S270 R274 | S270-H272 PolarHBondContact O-N 3.48Å; H272-R274 PolarHBondContact O-N 3.31Å |
| 273 | S | 49.1 | Very low | 56.7 | Low | 59 Ų | 59 | 123.9 Ų | 123.9 | 41% | 0.413 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -71.4 | -29.4 | -179.2 | 69.4 | 0 | 0 | 0 | 0 | 113.1 | S270 | S270-S273 PolarHBondContact O-N 3.16Å |
| 274 | R | 47.7 | Very low | 55 | Low | 208 Ų | 208 | 121.5 Ų | 121.5 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -74.2 | -30.3 | 178 | -83.1 | -175.8 | 167 | 136.3 | -3.1 | 113.9 | H272 | H272-R274 PolarHBondContact O-N 3.31Å |
| 275 | K | 45 | Very low | 52.6 | Low | 160 Ų | 160 | 119.7 Ų | 119.7 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -72.8 | -29.5 | 178.8 | -82.9 | -171.9 | 171.9 | -176.3 | 0 | 113.3 | L277 | K275-L277 PolarHBondContact O-N 3.28Å |
| 276 | A | 46 | Very low | 50.8 | Low | 87 Ų | 87 | 125.8 Ų | 125.8 | 72% | 0.719 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -15.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 277 | L | 49.3 | Very low | 48.9 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 3.1 | -176.2 | -105.4 | 151.8 | 0 | 0 | 0 | 114.1 | K275 | K275-L277 PolarHBondContact O-N 3.28Š|
| 278 | Q | 42.9 | Very low | 47.9 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -110.4 | 0.2 | 177.2 | -105.1 | -179.1 | -8.6 | 0 | 0 | 114.3 | ||
| 279 | V | 46.8 | Very low | 46.8 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -123.2 | 66 | -179.2 | -167.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 280 | K | 39.5 | Very low | 46.3 | Very low | 214 Ų | 214 | 129.7 Ų | 129.7 | 93% | 0.93 | 74% | 0.738 | S | S | * | * | trans | -171.5 | 89.3 | 144.4 | -111.2 | -178.9 | 178.3 | -174.7 | 0 | 109.6 | ||||
| 281 | G | 38.5 | Very low | 45.6 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | -135.4 | 43.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 282 | S | 38.2 | Very low | 45.2 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -175.2 | 96.9 | 156 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 283 | A | 36.7 | Very low | 44.9 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | 176.9 | 131 | 152.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 284 | A | 47.6 | Very low | 44.7 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 93% | 0.934 | 76% | 0.76 | S | S | * | * | trans | -74.3 | 133 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 285 | S | 35.4 | Very low | 44.7 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | -142 | 133.8 | 155.6 | 45 | 0 | 0 | 0 | 0 | 108.9 | D287 | S285-D287 PolarHBondContact O-N 3.37Š| ||
| 286 | K | 46.6 | Very low | 44.7 | Very low | 207 Ų | 207 | 133.3 Ų | 133.3 | 90% | 0.9 | 76% | 0.759 | S | S | * | * | trans | -89.5 | 73.1 | 176.5 | -80.1 | -178.1 | 173.2 | 177.1 | 0 | 109.6 | V288 | K286-V288 PolarHBondContact O-N 3.07Š| ||
| 287 | D | 41 | Very low | 44.8 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | trans | -85 | 96.2 | 172.9 | -70.4 | -44.9 | 0 | 0 | 0 | 110.7 | S285 N289 | S285-D287 PolarHBondContact O-N 3.37Å; D287-N289 PolarHBondContact O-N 2.85Å; D287-N289 VanDerWaalsContact O-N 3.12Å | ||
| 288 | V | 53.9 | Low | 44.7 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | -71.2 | 103.4 | 174.9 | 179.5 | 0 | 0 | 0 | 0 | 109 | K286 I290 | K286-V288 PolarHBondContact O-N 3.07Å; V288-I290 PolarHBondContact O-N 3.27Å | ||
| 289 | N | 49.2 | Very low | 45.2 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | trans | -70.4 | 96.5 | 175.1 | -93.1 | -89.3 | 0 | 0 | 0 | 110.9 | D287 F291 S292 | D287-N289 PolarHBondContact O-N 2.85Å; D287-N289 VanDerWaalsContact O-N 3.12Å; N289-F291 PolarHBondContact O-N 3.06Å; N289-F291 VanDerWaalsContact O-N 3.14Å; N289-S292 VanDerWaalsContact O-CB 3.28Å; N289-S292 WeakPolarHBondContact O-CB 3.47Å; N289-S292 PolarHBondContact O-N 3.41Å; N289-S292 PolarHBondContact O-OG 2.92Å | ||
| 290 | I | 53.6 | Low | 45.7 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -58 | -26 | 178.8 | -161.7 | 164.7 | 0 | 0 | 0 | 113.3 | V288 | V288-I290 PolarHBondContact O-N 3.27Š|
| 291 | F | 42.8 | Very low | 46.1 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 64% | 0.64 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -87.3 | 4.6 | 177.1 | -61.2 | -65.9 | 0 | 0 | 0 | 115 | N289 F293 L294 | N289-F291 PolarHBondContact O-N 3.06Å; N289-F291 VanDerWaalsContact O-N 3.14Å; F291-F293 PolarHBondContact O-N 2.87Å; F291-F293 VanDerWaalsContact O-N 3.16Å; F291-L294 HydrophobicContact CD1-CD1 4.03Å; F291-L294 PolarHBondContact O-N 2.95Å |
| 292 | S | 48.2 | Very low | 46.9 | Very low | 60 Ų | 60 | 132.7 Ų | 132.7 | 42% | 0.42 | 71% | 0.71 | S | S | . | * | G | 310 helix | trans | -58.6 | -26.5 | 176.4 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | N289 L294 S295 | N289-S292 VanDerWaalsContact O-CB 3.28Å; N289-S292 WeakPolarHBondContact O-CB 3.47Å; N289-S292 PolarHBondContact O-N 3.41Å; N289-S292 PolarHBondContact O-OG 2.92Å; S292-L294 VanDerWaalsContact C-N 3.33Å; S292-L294 PolarHBondContact O-N 3.02Å; S292-S295 PolarHBondContact O-N 3.44Å; S292-S295 PolarHBondContact O-OG 3.29Å; S292-S295 VanDerWaalsContact O-OG 3.14Å |
| 293 | F | 45.8 | Very low | 48.5 | Very low | 181 Ų | 181 | 129.4 Ų | 129.4 | 79% | 0.794 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -67 | -27.6 | 173.4 | -80.7 | -87.8 | 0 | 0 | 0 | 114 | F291 | F291-F293 PolarHBondContact O-N 2.87Å; F291-F293 VanDerWaalsContact O-N 3.16Å |
| 294 | L | 44 | Very low | 50.1 | Low | 149 Ų | 149 | 128.5 Ų | 128.5 | 78% | 0.78 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -85.4 | -13.4 | 177.3 | -65.6 | 179 | 0 | 0 | 0 | 113.4 | F291 S292 | F291-L294 HydrophobicContact CD1-CD1 4.03Å; F291-L294 PolarHBondContact O-N 2.95Å; S292-L294 VanDerWaalsContact C-N 3.33Å; S292-L294 PolarHBondContact O-N 3.02Å |
| 295 | S | 46.7 | Very low | 50.9 | Low | 92 Ų | 92 | 127.4 Ų | 127.4 | 64% | 0.643 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -93.5 | -0.5 | 178.3 | 69.3 | 0 | 0 | 0 | 0 | 114.2 | S292 K297 | S292-S295 PolarHBondContact O-N 3.44Å; S292-S295 PolarHBondContact O-OG 3.29Å; S292-S295 VanDerWaalsContact O-OG 3.14Å; S295-K297 PolarHBondContact O-N 3.12Å |
| 296 | K | 45.2 | Very low | 52.4 | Low | 186 Ų | 186 | 128.9 Ų | 128.9 | 81% | 0.809 | 64% | 0.637 | S | S | * | * | trans | -77 | 72.5 | -179.5 | -142.5 | 180 | -171.9 | -174.8 | 0 | 110.1 | E298 | K296-E298 PolarHBondContact O-N 3.43Å; K296-E298 VanDerWaalsContact O-N 3.08Å | ||
| 297 | K | 48.4 | Very low | 53.7 | Low | 149 Ų | 149 | 124.2 Ų | 124.2 | 65% | 0.648 | 62% | 0.618 | S | S | * | * | trans | -53.5 | 114.1 | 172.1 | -177 | -166.3 | 173.7 | -123.6 | 0 | 108.3 | S295 E299 D303 | S295-K297 PolarHBondContact O-N 3.12Å; K297-E299 PolarHBondContact O-N 3.45Å; K297-D303 IonicContact NZ-OD2 3.09Å; K297-D303 PolarHBondContact NZ-OD2 3.43Å; K297-D303 VanDerWaalsContact NZ-OD2 3.09Å | ||
| 298 | E | 47.5 | Very low | 55.1 | Low | 173 Ų | 173 | 123.7 Ų | 123.7 | 81% | 0.808 | 61% | 0.614 | S | S | * | * | trans | -58.5 | 119.3 | -179.8 | -162.1 | 166.5 | -141 | 0 | 0 | 110 | K296 T300 | K296-E298 PolarHBondContact O-N 3.43Å; K296-E298 VanDerWaalsContact O-N 3.08Å; E298-T300 PolarHBondContact O-N 2.87Å | ||
| 299 | E | 52.7 | Low | 55.7 | Low | 126 Ų | 126 | 119 Ų | 119 | 59% | 0.589 | 59% | 0.593 | S | S | * | * | trans | -74.5 | 92.5 | -176.7 | -68.7 | -164.5 | 154.2 | 0 | 0 | 109.7 | K297 | K297-E299 PolarHBondContact O-N 3.45Š| ||
| 300 | T | 57.3 | Low | 56.6 | Low | 92 Ų | 92 | 121.6 Ų | 121.6 | 56% | 0.564 | 60% | 0.599 | S | S | * | * | trans | -59.6 | 144.3 | 176.6 | -31.1 | 0 | 0 | 0 | 0 | 110.3 | E298 N302 D303 | E298-T300 PolarHBondContact O-N 2.87Å; T300-N302 PolarHBondContact O-N 3Å; T300-D303 PolarHBondContact O-N 3.27Å | ||
| 301 | Y | 48.3 | Very low | 57.2 | Low | 185 Ų | 185 | 122.6 Ų | 122.6 | 73% | 0.725 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -43.9 | -33.6 | -176.8 | -156.2 | -99.1 | 0 | 0 | 0 | 115.1 | D303 L304 I305 | Y301-D303 PolarHBondContact O-N 3.25Å; Y301-L304 PolarHBondContact O-N 3.39Å; Y301-I305 HydrophobicContact CD1-CD1 3.72Å; Y301-I305 HydrophobicContact CD1-CG1 4.38Å; Y301-I305 HydrophobicContact CE1-CD1 3.91Å; Y301-I305 HydrophobicContact CE1-CG1 4.48Å; Y301-I305 WeakPolarHBondContact O-CG1 3.35Å; Y301-I305 PolarHBondContact O-N 3.46Å |
| 302 | N | 55.6 | Low | 57.9 | Low | 105 Ų | 105 | 118.5 Ų | 118.5 | 56% | 0.561 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.9 | -25.8 | 175.8 | -87.6 | -65.7 | 0 | 0 | 0 | 115.7 | T300 K306 | T300-N302 PolarHBondContact O-N 3Å; N302-K306 WeakPolarHBondContact O-CE 3.47Å; N302-K306 WeakPolarHBondContact O-CG 3.49Å; N302-K306 PolarHBondContact O-N 3.47Å |
| 303 | D | 71.7 | Confident | 58.1 | Low | 54 Ų | 54 | 123.3 Ų | 123.3 | 29% | 0.289 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -83.5 | -33.6 | 177.9 | -75.8 | -16.5 | 0 | 0 | 0 | 111 | K297 T300 Y301 K306 Q307 | K297-D303 IonicContact NZ-OD2 3.09Å; K297-D303 PolarHBondContact NZ-OD2 3.43Å; K297-D303 VanDerWaalsContact NZ-OD2 3.09Å; T300-D303 PolarHBondContact O-N 3.27Å; Y301-D303 PolarHBondContact O-N 3.25Å; D303-K306 PolarHBondContact O-N 3.5Å; D303-K306 IonicContact OD1-NZ 2.88Å; D303-K306 PolarHBondContact OD1-NZ 3.13Å; D303-Q307 PolarHBondContact O-N 2.83Å |
| 304 | L | 69.7 | Low | 58.3 | Low | 75 Ų | 75 | 123.4 Ų | 123.4 | 39% | 0.393 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -58.5 | -49.3 | 168.1 | -85.7 | 148.5 | 0 | 0 | 0 | 112.1 | Y301 K306 Q307 I308 | Y301-L304 PolarHBondContact O-N 3.39Å; L304-K306 VanDerWaalsContact C-N 3.29Å; L304-K306 PolarHBondContact O-N 3.08Å; L304-Q307 WeakPolarHBondContact O-CB 3.44Å; L304-Q307 PolarHBondContact O-N 3.37Å; L304-I308 WeakPolarHBondContact O-CG1 3.43Å; L304-I308 PolarHBondContact O-N 2.83Å |
| 305 | I | 65.1 | Low | 58.6 | Low | 91 Ų | 91 | 122.3 Ų | 122.3 | 47% | 0.467 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -56.4 | -43 | 177.1 | -68.3 | 168.2 | 0 | 0 | 0 | 111.4 | Y301 Q307 I308 G309 | Y301-I305 HydrophobicContact CD1-CD1 3.72Å; Y301-I305 HydrophobicContact CD1-CG1 4.38Å; Y301-I305 HydrophobicContact CE1-CD1 3.91Å; Y301-I305 HydrophobicContact CE1-CG1 4.48Å; Y301-I305 WeakPolarHBondContact O-CG1 3.35Å; Y301-I305 PolarHBondContact O-N 3.46Å; I305-Q307 VanDerWaalsContact C-N 3.33Å; I305-Q307 PolarHBondContact O-N 3.41Å; I305-I308 PolarHBondContact O-N 3.04Å; I305-G309 PolarHBondContact O-N 2.88Å; I305-G309 VanDerWaalsContact O-N 3.08Å |
| 306 | K | 67.9 | Low | 58.8 | Low | 126 Ų | 126 | 123.1 Ų | 123.1 | 55% | 0.548 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.6 | -36.1 | 176.1 | -69.6 | 169.6 | -156.4 | 150.7 | 0 | 112.3 | N302 D303 L304 K310 | N302-K306 WeakPolarHBondContact O-CE 3.47Å; N302-K306 WeakPolarHBondContact O-CG 3.49Å; N302-K306 PolarHBondContact O-N 3.47Å; D303-K306 PolarHBondContact O-N 3.5Å; D303-K306 IonicContact OD1-NZ 2.88Å; D303-K306 PolarHBondContact OD1-NZ 3.13Å; L304-K306 VanDerWaalsContact C-N 3.29Å; L304-K306 PolarHBondContact O-N 3.08Å; K306-K310 WeakPolarHBondContact O-CB 3.37Å; K306-K310 PolarHBondContact O-N 2.96Å |
| 307 | Q | 73.3 | Confident | 58.8 | Low | 108 Ų | 108 | 117.5 Ų | 117.5 | 51% | 0.505 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.9 | -41.2 | 179.8 | -139.1 | -173.4 | 43.8 | 0 | 0 | 111.3 | D303 L304 I305 K310 K311 | D303-Q307 PolarHBondContact O-N 2.83Å; L304-Q307 WeakPolarHBondContact O-CB 3.44Å; L304-Q307 PolarHBondContact O-N 3.37Å; I305-Q307 VanDerWaalsContact C-N 3.33Å; I305-Q307 PolarHBondContact O-N 3.41Å; Q307-K310 PolarHBondContact O-N 2.99Å; Q307-K311 PolarHBondContact O-N 3.2Å |
| 308 | I | 70.5 | Confident | 58.2 | Low | 116 Ų | 116 | 114.4 Ų | 114.4 | 60% | 0.595 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.1 | -50.8 | 174 | -65.5 | 165.1 | 0 | 0 | 0 | 110.3 | L304 I305 K310 K311 A312 | L304-I308 WeakPolarHBondContact O-CG1 3.43Å; L304-I308 PolarHBondContact O-N 2.83Å; I305-I308 PolarHBondContact O-N 3.04Å; I308-K310 VanDerWaalsContact C-N 3.27Å; I308-K310 PolarHBondContact O-N 3.38Å; I308-K311 PolarHBondContact O-N 3.04Å; I308-K311 VanDerWaalsContact O-N 3.11Å; I308-A312 PolarHBondContact O-N 3.15Å |
| 309 | G | 66.8 | Low | 57.8 | Low | 36 Ų | 36 | 109.8 Ų | 109.8 | 37% | 0.371 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -58.5 | -36.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I305 M313 | I305-G309 PolarHBondContact O-N 2.88Å; I305-G309 VanDerWaalsContact O-N 3.08Å; G309-M313 PolarHBondContact O-N 2.75Å; G309-M313 VanDerWaalsContact O-N 3.16Å |
| 310 | K | 68.4 | Low | 56.9 | Low | 168 Ų | 168 | 113.6 Ų | 113.6 | 73% | 0.73 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.1 | -33.2 | 176.1 | -124.1 | 178.3 | -178.9 | -178.8 | 0 | 113.6 | K306 Q307 I308 K314 | K306-K310 WeakPolarHBondContact O-CB 3.37Å; K306-K310 PolarHBondContact O-N 2.96Å; Q307-K310 PolarHBondContact O-N 2.99Å; I308-K310 VanDerWaalsContact C-N 3.27Å; I308-K310 PolarHBondContact O-N 3.38Å; K310-K314 PolarHBondContact O-N 3.15Å |
| 311 | K | 65.8 | Low | 55.8 | Low | 157 Ų | 157 | 116.2 Ų | 116.2 | 68% | 0.683 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.6 | -48 | 173.2 | -90.3 | -175.1 | 172.8 | 179.7 | 0 | 110.9 | Q307 I308 M313 K314 T315 | Q307-K311 PolarHBondContact O-N 3.2Å; I308-K311 PolarHBondContact O-N 3.04Å; I308-K311 VanDerWaalsContact O-N 3.11Å; K311-M313 VanDerWaalsContact C-N 3.3Å; K311-M313 PolarHBondContact O-N 3.47Å; K311-K314 PolarHBondContact O-N 3.43Å; K311-T315 PolarHBondContact O-N 2.72Å; K311-T315 PolarHBondContact O-OG1 2.9Å |
| 312 | A | 57.5 | Low | 54.8 | Low | 60 Ų | 60 | 110.8 Ų | 110.8 | 50% | 0.496 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -58.8 | -38 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I308 K314 T315 | I308-A312 PolarHBondContact O-N 3.15Å; A312-K314 VanDerWaalsContact C-N 3.31Å; A312-K314 PolarHBondContact O-N 2.96Å; A312-T315 PolarHBondContact O-OG1 3.35Å; A312-T315 VanDerWaalsContact O-OG1 3.07Å |
| 313 | M | 51.4 | Low | 54 | Low | 161 Ų | 161 | 112.2 Ų | 112.2 | 79% | 0.793 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.2 | -23.7 | 173.9 | -74.8 | -175.3 | 168.1 | 0 | 0 | 113.8 | G309 K311 | G309-M313 PolarHBondContact O-N 2.75Å; G309-M313 VanDerWaalsContact O-N 3.16Å; K311-M313 VanDerWaalsContact C-N 3.3Å; K311-M313 PolarHBondContact O-N 3.47Å |
| 314 | K | 50.9 | Low | 52 | Low | 182 Ų | 182 | 113 Ų | 113 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -84.9 | -23.2 | -177.6 | -132 | -176.1 | -179.4 | -164.6 | 0 | 113.3 | K310 K311 A312 S316 | K310-K314 PolarHBondContact O-N 3.15Å; K311-K314 PolarHBondContact O-N 3.43Å; A312-K314 VanDerWaalsContact C-N 3.31Å; A312-K314 PolarHBondContact O-N 2.96Å; K314-S316 VanDerWaalsContact C-N 3.33Å |
| 315 | T | 50.8 | Low | 50.4 | Low | 126 Ų | 126 | 116 Ų | 116 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -4.3 | 174.6 | 42.8 | 0 | 0 | 0 | 0 | 114 | K311 A312 | K311-T315 PolarHBondContact O-N 2.72Å; K311-T315 PolarHBondContact O-OG1 2.9Å; A312-T315 PolarHBondContact O-OG1 3.35Å; A312-T315 VanDerWaalsContact O-OG1 3.07Å |
| 316 | S | 49.4 | Very low | 48.7 | Very low | 110 Ų | 110 | 115 Ų | 115 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 13 | -176.9 | -151.6 | 0 | 0 | 0 | 0 | 113.8 | K314 | K314-S316 VanDerWaalsContact C-N 3.33Š|
| 317 | G | 46.9 | Very low | 46.8 | Very low | 67 Ų | 67 | 117.7 Ų | 117.7 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -151.2 | 74.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 318 | G | 33.8 | Very low | 44.6 | Very low | 84 Ų | 84 | 116.1 Ų | 116.1 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | trans | 158.5 | 94.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 319 | G | 39.3 | Very low | 43.7 | Very low | 77 Ų | 77 | 116.2 Ų | 116.2 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -107.6 | -179.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 320 | E | 34 | Very low | 42 | Very low | 205 Ų | 205 | 124.4 Ų | 124.4 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | trans | -152.3 | 143.6 | 171.3 | -121.8 | 164 | -157.9 | 0 | 0 | 112 | ||||
| 321 | T | 33.8 | Very low | 40.1 | Very low | 147 Ų | 147 | 120 Ų | 120 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -104.6 | 133.4 | -178.7 | 43.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 322 | G | 28.2 | Very low | 38.3 | Very low | 71 Ų | 71 | 117 Ų | 117 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -155.4 | 150.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 323 | P | 39 | Very low | 36.9 | Very low | 136 Ų | 136 | 117.6 Ų | 117.6 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -81.5 | 159.9 | -166 | 32.5 | -36 | 0 | 0 | 0 | 114.8 | ||||
| 324 | G | 29.3 | Very low | 35.9 | Very low | 71 Ų | 71 | 118 Ų | 118 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | trans | -72.8 | -171.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 325 | P | 37.1 | Very low | 35.4 | Very low | 137 Ų | 137 | 114.5 Ų | 114.5 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | -147.9 | 165.1 | 62.9 | 40.1 | -22.5 | 0 | 0 | 0 | 118 | |||||
| 326 | G | 27.7 | Very low | 34.7 | Very low | 70 Ų | 70 | 113.4 Ų | 113.4 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | 101.7 | 139.7 | 136.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 327 | L | 29.5 | Very low | 33.9 | Very low | 183 Ų | 183 | 116 Ų | 116 | 96% | 0.958 | 83% | 0.83 | S | S | * | * | trans | 76.7 | 111.2 | 152.2 | -67.6 | 158.1 | 0 | 0 | 0 | 121.7 | ||||
| 328 | G | 27 | Very low | 33.4 | Very low | 74 Ų | 74 | 117.4 Ų | 117.4 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | 96.6 | 128.8 | 117 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 329 | P | 50.9 | Low | 33.6 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -105.6 | 145.1 | -176.5 | 38.6 | -32.8 | 0 | 0 | 0 | 115.7 | ||||
| 330 | Q | 30.7 | Very low | 33.5 | Very low | 207 Ų | 207 | 121 Ų | 121 | 97% | 0.967 | 82% | 0.824 | S | S | * | * | trans | 173.2 | 154.2 | 152.5 | -98.6 | 157.2 | 100.2 | 0 | 0 | 106.7 | ||||
| 331 | G | 28.3 | Very low | 33.8 | Very low | 77 Ų | 77 | 119.2 Ų | 119.2 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | cis | 149.7 | 133.8 | 4.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 332 | G | 28.7 | Very low | 33.7 | Very low | 92 Ų | 92 | 116.3 Ų | 116.3 | 95% | 0.948 | 81% | 0.811 | S | S | * | * | trans | 108.7 | 124.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 333 | G | 28 | Very low | 33.9 | Very low | 73 Ų | 73 | 119.3 Ų | 119.3 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -133.3 | 175 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 334 | L | 31.5 | Very low | 33.7 | Very low | 170 Ų | 170 | 120.4 Ų | 120.4 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -177.5 | 162.4 | 165.7 | -104.8 | 161.5 | 0 | 0 | 0 | 108.4 | ||||
| 335 | P | 40 | Very low | 33.7 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | -106 | 171.1 | -94.5 | 37.1 | -29.4 | 0 | 0 | 0 | 114.5 | |||||
| 336 | A | 35.6 | Very low | 33.3 | Very low | 103 Ų | 103 | 122.4 Ų | 122.4 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71 | 137.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 337 | L | 33.3 | Very low | 33.3 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 153.6 | 164.5 | -94.4 | 95.1 | 0 | 0 | 0 | 111.6 | ||
| 338 | P | 35.3 | Very low | 33.3 | Very low | 96 Ų | 96 | 126 Ų | 126 | 62% | 0.623 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 156.1 | -173.3 | 28.8 | -36.2 | 0 | 0 | 0 | 114.3 | S340 | P338-S340 PolarHBondContact O-N 3.48Š|
| 339 | P | 38.2 | Very low | 33.7 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -81.8 | 76.4 | -176.1 | 34.6 | -36.4 | 0 | 0 | 0 | 112.2 | ||
| 340 | S | 38.5 | Very low | 33.1 | Very low | 97 Ų | 97 | 133 Ų | 133 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | trans | -130.1 | -2.2 | 175.1 | 61.5 | 0 | 0 | 0 | 0 | 115.7 | P338 | P338-S340 PolarHBondContact O-N 3.48Š| ||
| 341 | L | 39.3 | Very low | 33.3 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -134.3 | 77.7 | 178.9 | -74.8 | 171.4 | 0 | 0 | 0 | 112.6 | ||||
| 342 | A | 31.4 | Very low | 33.9 | Very low | 87 Ų | 87 | 136.4 Ų | 136.4 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | -123.1 | 106.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | L344 | A342-L344 PolarHBondContact O-N 3.34Š| ||
| 343 | P | 33.4 | Very low | 34.4 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -76.6 | 92.6 | 178.6 | 29.9 | -33 | 0 | 0 | 0 | 110.9 | V345 | P343-V345 PolarHBondContact O-N 2.95Š| ||
| 344 | L | 34.5 | Very low | 35.2 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -93.8 | 68.9 | -176.1 | -151 | 167.4 | 0 | 0 | 0 | 111.7 | A342 | A342-L344 PolarHBondContact O-N 3.34Š| ||
| 345 | V | 28.6 | Very low | 35.6 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | trans | -138.2 | 102.5 | 166.8 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | P343 Y347 | P343-V345 PolarHBondContact O-N 2.95Å; V345-Y347 HydrophobicContact CG1-CD2 4.01Å; V345-Y347 HydrophobicContact CG1-CE2 4.02Å | ||
| 346 | V | 29.6 | Very low | 35.6 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -83.6 | 116 | 166 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | S348 | V346-S348 PolarHBondContact O-N 2.96Å; V346-S348 VanDerWaalsContact O-N 3.07Å | ||
| 347 | Y | 27.3 | Very low | 36 | Very low | 215 Ų | 215 | 135.5 Ų | 135.5 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -77.2 | 92.3 | 174.4 | -99.6 | -87.6 | 0 | 0 | 0 | 111.5 | V345 K349 | V345-Y347 HydrophobicContact CG1-CD2 4.01Å; V345-Y347 HydrophobicContact CG1-CE2 4.02Å; Y347-K349 PolarHBondContact O-N 3.26Å | ||
| 348 | S | 29.2 | Very low | 36.5 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | trans | -74.6 | 120.4 | 163.8 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | V346 | V346-S348 PolarHBondContact O-N 2.96Å; V346-S348 VanDerWaalsContact O-N 3.07Å | ||
| 349 | K | 36.1 | Very low | 36.8 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -100.8 | 91.3 | -174.9 | -173.7 | -177.5 | -175.5 | 178.3 | 0 | 110.3 | Y347 | Y347-K349 PolarHBondContact O-N 3.26Š| ||
| 350 | N | 38.6 | Very low | 36.9 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 82% | 0.824 | 70% | 0.697 | S | S | * | * | trans | 163.2 | 79.9 | 145.7 | -82.6 | -17.4 | 0 | 0 | 0 | 112.9 | ||||
| 351 | R | 34.2 | Very low | 36.9 | Very low | 219 Ų | 219 | 128.1 Ų | 128.1 | 83% | 0.826 | 69% | 0.691 | S | S | * | * | trans | -160.8 | 143.1 | 150.6 | -127 | 179 | -178.6 | -150.4 | -0.3 | 109.6 | E357 | R351-E357 IonicContact NH1-OE1 2.81Š| ||
| 352 | V | 40 | Very low | 36.9 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | trans | -112.5 | 116.7 | 165.7 | 179 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 353 | P | 39.7 | Very low | 37.2 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 51% | 0.513 | 69% | 0.686 | S | S | . | * | trans | -73.6 | 151.2 | -177.9 | 29.9 | -33.8 | 0 | 0 | 0 | 111.4 | E357 | P353-E357 VanDerWaalsContact CA-OE2 3.31Å; P353-E357 WeakPolarHBondContact CA-OE2 3.47Å; P353-E357 VanDerWaalsContact CB-OE2 3.25Å; P353-E357 WeakPolarHBondContact CB-OE2 3.4Å | ||
| 354 | T | 45.8 | Very low | 37.4 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 55% | 0.552 | 68% | 0.675 | S | S | * | * | trans | -88.2 | 158.9 | 177.6 | 39.3 | 0 | 0 | 0 | 0 | 112.1 | E356 E357 | T354-E356 VanDerWaalsContact C-N 3.28Å; T354-E356 PolarHBondContact O-N 3.17Å; T354-E357 PolarHBondContact N-OE2 3.12Å; T354-E357 PolarHBondContact O-N 3.28Å | ||
| 355 | L | 39 | Very low | 37.5 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 78% | 0.78 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -58.6 | -34.7 | -170.9 | -162.7 | 69.6 | 0 | 0 | 0 | 113.2 | E357 V358 S359 | L355-E357 PolarHBondContact O-N 3.44Å; L355-V358 PolarHBondContact O-N 3.03Å; L355-S359 PolarHBondContact O-N 3.42Å |
| 356 | E | 40.9 | Very low | 37.9 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 63% | 0.631 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -55.1 | -46.5 | 170.8 | -92.2 | 77.8 | -166.5 | 0 | 0 | 113.8 | T354 V358 S359 Q360 | T354-E356 VanDerWaalsContact C-N 3.28Å; T354-E356 PolarHBondContact O-N 3.17Å; E356-V358 VanDerWaalsContact C-N 3.31Å; E356-V358 PolarHBondContact O-N 3.18Å; E356-S359 WeakPolarHBondContact O-CB 3.49Å; E356-S359 PolarHBondContact O-N 3.05Å; E356-S359 VanDerWaalsContact O-N 3.1Å; E356-S359 PolarHBondContact O-OG 3.47Å; E356-Q360 PolarHBondContact O-N 2.9Å |
| 357 | E | 42.8 | Very low | 37.8 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 35% | 0.35 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -63.4 | -38.6 | -175.6 | -68.9 | 179.8 | 134.7 | 0 | 0 | 110.9 | R351 P353 T354 L355 Q360 T361 | R351-E357 IonicContact NH1-OE1 2.81Å; P353-E357 VanDerWaalsContact CA-OE2 3.31Å; P353-E357 WeakPolarHBondContact CA-OE2 3.47Å; P353-E357 VanDerWaalsContact CB-OE2 3.25Å; P353-E357 WeakPolarHBondContact CB-OE2 3.4Å; T354-E357 PolarHBondContact N-OE2 3.12Å; T354-E357 PolarHBondContact O-N 3.28Å; L355-E357 PolarHBondContact O-N 3.44Å; E357-Q360 PolarHBondContact O-N 2.91Å; E357-T361 PolarHBondContact O-N 2.98Å; E357-T361 PolarHBondContact O-OG1 3.39Å |
| 358 | V | 44 | Very low | 37.9 | Very low | 71 Ų | 71 | 128.6 Ų | 128.6 | 43% | 0.43 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -65.6 | -40.7 | 175.2 | -175.9 | 0 | 0 | 0 | 0 | 110.8 | L355 E356 Q360 T361 L362 | L355-V358 PolarHBondContact O-N 3.03Å; E356-V358 VanDerWaalsContact C-N 3.31Å; E356-V358 PolarHBondContact O-N 3.18Å; V358-Q360 PolarHBondContact O-N 2.9Å; V358-T361 PolarHBondContact O-N 2.86Å; V358-L362 HydrophobicContact CG1-CD1 4.43Å; V358-L362 PolarHBondContact O-N 3.11Å |
| 359 | S | 42.5 | Very low | 37.8 | Very low | 49 Ų | 49 | 128.4 Ų | 128.4 | 34% | 0.343 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -66.6 | -34 | 179.5 | 83.8 | 0 | 0 | 0 | 0 | 113.7 | L355 E356 R363 | L355-S359 PolarHBondContact O-N 3.42Å; E356-S359 WeakPolarHBondContact O-CB 3.49Å; E356-S359 PolarHBondContact O-N 3.05Å; E356-S359 VanDerWaalsContact O-N 3.1Å; E356-S359 PolarHBondContact O-OG 3.47Å; S359-R363 PolarHBondContact O-N 3.38Å |
| 360 | Q | 39.3 | Very low | 37.2 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 63% | 0.631 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74.7 | -38.5 | 178.1 | -73 | -177.9 | -16.6 | 0 | 0 | 111.5 | E356 E357 V358 L362 R363 S364 | E356-Q360 PolarHBondContact O-N 2.9Å; E357-Q360 PolarHBondContact O-N 2.91Å; V358-Q360 PolarHBondContact O-N 2.9Å; Q360-L362 VanDerWaalsContact C-N 3.29Å; Q360-L362 PolarHBondContact O-N 3.18Å; Q360-R363 PolarHBondContact O-N 3.19Å; Q360-R363 VanDerWaalsContact O-N 3.1Å; Q360-S364 PolarHBondContact O-N 3Å |
| 361 | T | 39.7 | Very low | 36.9 | Very low | 89 Ų | 89 | 128.6 Ų | 128.6 | 55% | 0.546 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -66.5 | -30.9 | 178.8 | -46 | 0 | 0 | 0 | 0 | 112.5 | E357 V358 S364 | E357-T361 PolarHBondContact O-N 2.98Å; E357-T361 PolarHBondContact O-OG1 3.39Å; V358-T361 PolarHBondContact O-N 2.86Å; T361-S364 PolarHBondContact O-OG 3.17Å |
| 362 | L | 37.9 | Very low | 37.1 | Very low | 136 Ų | 136 | 122.6 Ų | 122.6 | 71% | 0.712 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.2 | -31.8 | 172 | -73.7 | 167.9 | 0 | 0 | 0 | 112.5 | V358 Q360 | V358-L362 HydrophobicContact CG1-CD1 4.43Å; V358-L362 PolarHBondContact O-N 3.11Å; Q360-L362 VanDerWaalsContact C-N 3.29Å; Q360-L362 PolarHBondContact O-N 3.18Å |
| 363 | R | 38.1 | Very low | 36.4 | Very low | 205 Ų | 205 | 123.2 Ų | 123.2 | 77% | 0.774 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77.2 | -20.2 | -177.8 | -143.4 | -178.1 | -62.1 | -160.4 | 2 | 113.6 | S359 Q360 | S359-R363 PolarHBondContact O-N 3.38Å; Q360-R363 PolarHBondContact O-N 3.19Å; Q360-R363 VanDerWaalsContact O-N 3.1Å |
| 364 | S | 37.9 | Very low | 35.9 | Very low | 93 Ų | 93 | 128 Ų | 128 | 65% | 0.65 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -4.3 | -175.6 | 64.4 | 0 | 0 | 0 | 0 | 115.7 | Q360 T361 | Q360-S364 PolarHBondContact O-N 3Å; T361-S364 PolarHBondContact O-OG 3.17Å |
| 365 | K | 37.1 | Very low | 35.1 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 82% | 0.817 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -101.9 | -0.8 | -177.2 | -82.4 | -168.5 | 171.4 | -172.5 | 0 | 115.7 | ||
| 366 | G | 35.3 | Very low | 34.5 | Very low | 57 Ų | 57 | 129.6 Ų | 129.6 | 59% | 0.588 | 69% | 0.689 | S | S | * | * | trans | -103.7 | 63.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 367 | H | 28.8 | Very low | 33.9 | Very low | 191 Ų | 191 | 129.8 Ų | 129.8 | 88% | 0.884 | 70% | 0.699 | S | S | * | * | trans | -152.6 | 121 | 165.1 | -88.7 | -47.9 | 0 | 0 | 0 | 113.9 | ||||
| 368 | V | 28.5 | Very low | 33.3 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 92% | 0.915 | 72% | 0.716 | S | S | * | * | trans | -132.4 | 134.2 | 154.3 | 177.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 369 | S | 27.1 | Very low | 32.5 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | -109.5 | 166 | -176.6 | 57.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 370 | R | 24.5 | Very low | 31.8 | Very low | 229 Ų | 229 | 140.8 Ų | 140.8 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | cis | -157.5 | -162.4 | 12.3 | -130.3 | 179.8 | 163.2 | 150.7 | -6.7 | 105.7 | ||||
| 371 | P | 31.7 | Very low | 32.2 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | cis | -124.4 | -166.3 | -1.7 | 43.3 | -24.5 | 0 | 0 | 0 | 113.4 | ||||
| 372 | P | 37.9 | Very low | 31.7 | Very low | 93 Ų | 93 | 144.5 Ų | 144.5 | 60% | 0.604 | 78% | 0.781 | S | S | * | * | trans | -109.8 | 164.3 | 172.6 | 38.8 | -28.4 | 0 | 0 | 0 | 114.4 | ||||
| 373 | D | 26.6 | Very low | 31.3 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | 161.8 | 150.9 | 125 | -76.5 | -25 | 0 | 0 | 0 | 114.3 | |||||
| 374 | E | 28.2 | Very low | 30.9 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | 59.4 | 124.2 | 157.8 | -68.4 | -179.2 | 157.9 | 0 | 0 | 126.6 | ||||
| 375 | E | 28.5 | Very low | 30.5 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 43.6 | 144.5 | 135.3 | -59.5 | -156.9 | 139.8 | 0 | 0 | 128.1 | ||||
| 376 | A | 27.2 | Very low | 30.3 | Very low | 89 Ų | 89 | 138.4 Ų | 138.4 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | 88.1 | 109.4 | 138.8 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 377 | V | 28.4 | Very low | 30.2 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | 51.2 | 107.5 | 124.3 | -172.9 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 378 | A | 30.6 | Very low | 30.3 | Very low | 85 Ų | 85 | 137 Ų | 137 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | trans | 49.1 | 122.9 | 135.7 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 379 | R | 25.6 | Very low | 30.5 | Very low | 251 Ų | 251 | 138 Ų | 138 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | 171.5 | 171.6 | 121.8 | -94.4 | 177.3 | -161.6 | 161.6 | 7.5 | 112.5 | |||||
| 380 | A | 29.4 | Very low | 30.8 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | -144.2 | 179.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 381 | P | 47.7 | Very low | 31.1 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | cis | -135.3 | -167.8 | -5.7 | 31.4 | -6.9 | 0 | 0 | 0 | 115.2 | ||||
| 382 | E | 28.8 | Very low | 31.1 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 102 | 125.1 | 154.4 | -56.7 | -149 | 149.7 | 0 | 0 | 122.9 | ||||
| 383 | D | 30.5 | Very low | 30.7 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | 46.9 | 125.9 | 157.3 | -96.7 | 2.6 | 0 | 0 | 0 | 124.6 | ||||
| 384 | G | 28.8 | Very low | 31.2 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 147.9 | 123.7 | 171 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 385 | S | 29 | Very low | 31.6 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -77.6 | 170.9 | 173.6 | 52 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 386 | P | 34.3 | Very low | 31.9 | Very low | 124 Ų | 124 | 138 Ų | 138 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | cis | -121 | 171 | -7 | 40.5 | -27.4 | 0 | 0 | 0 | 113.9 | ||||
| 387 | A | 31.8 | Very low | 32.3 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -95 | 141.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 388 | P | 31.5 | Very low | 32.6 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 158.4 | 180 | 34.4 | -35.2 | 0 | 0 | 0 | 113.9 | ||
| 389 | E | 33.3 | Very low | 33 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 129.8 | -171.8 | -58.9 | 173.5 | 124 | 0 | 0 | 114.5 | ||
| 390 | V | 31.9 | Very low | 33.7 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -108.4 | 108.3 | 160.3 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | M392 | V390-M392 PolarHBondContact O-N 3.06Š| ||
| 391 | F | 30.7 | Very low | 33.9 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 80% | 0.803 | 79% | 0.792 | S | S | * | * | trans | -65.9 | 102.5 | 177.6 | -107.7 | -102.7 | 0 | 0 | 0 | 111.1 | ||||
| 392 | M | 31.5 | Very low | 33.3 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -77 | 155.9 | 167.7 | -78.1 | -165.3 | 75.4 | 0 | 0 | 112.1 | V390 | V390-M392 PolarHBondContact O-N 3.06Š| ||
| 393 | N | 30.2 | Very low | 33.5 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | -78.4 | 131.8 | -171.8 | -151.5 | 2.3 | 0 | 0 | 0 | 111.4 | L395 | N393-L395 VanDerWaalsContact C-N 3.29Å; N393-L395 PolarHBondContact O-N 3.27Å | ||
| 394 | Q | 37.7 | Very low | 33.6 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 65.8 | -171.1 | -74.8 | -89.4 | 2.6 | 0 | 0 | 113 | ||
| 395 | L | 36.5 | Very low | 33.9 | Very low | 156 Ų | 156 | 149.5 Ų | 149.5 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.5 | -12.4 | 171.3 | -109.4 | 136.8 | 0 | 0 | 0 | 115.6 | N393 | N393-L395 VanDerWaalsContact C-N 3.29Å; N393-L395 PolarHBondContact O-N 3.27Å |
| 396 | D | 35 | Very low | 34.1 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -94.8 | 8.1 | 175.1 | -75.4 | -38.1 | 0 | 0 | 0 | 113.9 | ||
| 397 | R | 35.7 | Very low | 34.3 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | trans | -109.5 | 47.3 | -171.7 | -157.9 | -165.7 | 155 | -179.7 | -6.6 | 114.5 | E401 | R397-E401 IonicContact NE-OE1 2.67Å; R397-E401 IonicContact NH2-OE1 3.82Å; R397-E401 PolarHBondContact NH2-OE1 3.28Å | ||
| 398 | I | 34 | Very low | 34.6 | Very low | 171 Ų | 171 | 152.9 Ų | 152.9 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -140.8 | 38.3 | 163.7 | -36.7 | 176.9 | 0 | 0 | 0 | 110.4 | ||
| 399 | S | 38.3 | Very low | 34.9 | Very low | 104 Ų | 104 | 154.4 Ų | 154.4 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -118.8 | -20.7 | -177.7 | -54.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 400 | E | 40.7 | Very low | 34.8 | Very low | 186 Ų | 186 | 157.1 Ų | 157.1 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -144 | 85.4 | -176.9 | -67.9 | -174 | 155.5 | 0 | 0 | 110.6 | ||
| 401 | E | 33.2 | Very low | 34.8 | Very low | 157 Ų | 157 | 159.1 Ų | 159.1 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -158.1 | 105.9 | 156.6 | -107.8 | 166.1 | -135.1 | 0 | 0 | 105.9 | R397 | R397-E401 IonicContact NE-OE1 2.67Å; R397-E401 IonicContact NH2-OE1 3.82Å; R397-E401 PolarHBondContact NH2-OE1 3.28Å | ||
| 402 | C | 35.2 | Very low | 34.8 | Very low | 133 Ų | 133 | 155.1 Ų | 155.1 | 90% | 0.899 | 79% | 0.786 | S | S | * | * | trans | -105.6 | 88.5 | -175.9 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 403 | E | 33.6 | Very low | 35.1 | Very low | 161 Ų | 161 | 155.3 Ų | 155.3 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -95 | 147.2 | 170.9 | -76.8 | -66.2 | 142.4 | 0 | 0 | 110.6 | ||||
| 404 | P | 33 | Very low | 35.2 | Very low | 110 Ų | 110 | 154.7 Ų | 154.7 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | trans | -74.4 | 143.3 | -172.6 | 31.2 | -33.2 | 0 | 0 | 0 | 111.7 | D406 | P404-D406 PolarHBondContact O-N 3.26Å; P404-D406 VanDerWaalsContact O-N 3.17Å | ||
| 405 | W | 34.6 | Very low | 35 | Very low | 252 Ų | 252 | 156.8 Ų | 156.8 | 96% | 0.955 | 79% | 0.792 | S | S | * | * | trans | -70.3 | 109.5 | 175.3 | -74.2 | 72.7 | 0 | 0 | 0 | 110.3 | ||||
| 406 | D | 32.8 | Very low | 34.8 | Very low | 146 Ų | 146 | 157.3 Ų | 157.3 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -73.1 | 130.2 | 172.8 | -155.6 | -11.5 | 0 | 0 | 0 | 110.2 | P404 | P404-D406 PolarHBondContact O-N 3.26Å; P404-D406 VanDerWaalsContact O-N 3.17Å | ||
| 407 | A | 39.4 | Very low | 34.8 | Very low | 98 Ų | 98 | 158.5 Ų | 158.5 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -105.4 | 30.8 | -164.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 408 | Q | 38.5 | Very low | 34.7 | Very low | 166 Ų | 166 | 154.3 Ų | 154.3 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -125.7 | 77.1 | 179.6 | -68.3 | -172.3 | -6.2 | 0 | 0 | 111.5 | ||||
| 409 | D | 36.5 | Very low | 34.5 | Very low | 154 Ų | 154 | 152 Ų | 152 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -175.8 | 81.5 | 141.8 | -96.8 | -19.4 | 0 | 0 | 0 | 110.1 | ||||
| 410 | Y | 31.4 | Very low | 34.3 | Very low | 228 Ų | 228 | 153 Ų | 153 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -131.3 | 101 | 168.9 | -122.7 | -89 | 0 | 0 | 0 | 110 | P412 | Y410-P412 WeakPolarHBondContact O-CD 3.46Š| ||
| 411 | H | 32.6 | Very low | 33.7 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -89.7 | 112.1 | 166.2 | -78.6 | -54.4 | 0 | 0 | 0 | 109.6 | L413 | H411-L413 PolarHBondContact O-N 3.48Š| ||
| 412 | P | 31.7 | Very low | 33.6 | Very low | 98 Ų | 98 | 151.6 Ų | 151.6 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | -71.6 | 118.8 | 172.3 | 28.6 | -32.3 | 0 | 0 | 0 | 109.9 | Y410 I414 | Y410-P412 WeakPolarHBondContact O-CD 3.46Å; P412-I414 VanDerWaalsContact C-N 3.33Å; P412-I414 PolarHBondContact O-N 2.97Å | ||
| 413 | L | 36.9 | Very low | 33.4 | Very low | 160 Ų | 160 | 151.7 Ų | 151.7 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -72.3 | 89.6 | 167.6 | -76.2 | 169.3 | 0 | 0 | 0 | 109.3 | H411 F415 | H411-L413 PolarHBondContact O-N 3.48Å; L413-F415 PolarHBondContact O-N 3.05Å | ||
| 414 | I | 32.9 | Very low | 33.4 | Very low | 133 Ų | 133 | 151.9 Ų | 151.9 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | trans | -73.6 | 114.2 | 171.8 | -58.3 | 174.7 | 0 | 0 | 0 | 108.2 | P412 Q416 | P412-I414 VanDerWaalsContact C-N 3.33Å; P412-I414 PolarHBondContact O-N 2.97Å; I414-Q416 HydrophobicContact CG2-CG 4.1Å; I414-Q416 PolarHBondContact O-N 3.49Å | ||
| 415 | F | 31.9 | Very low | 33.6 | Very low | 195 Ų | 195 | 151.1 Ų | 151.1 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -77.7 | 102.6 | 161.7 | -72.1 | -85.4 | 0 | 0 | 0 | 108.4 | L413 | L413-F415 PolarHBondContact O-N 3.05Š| ||
| 416 | Q | 32.6 | Very low | 33.6 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | -74 | 148.5 | 164.6 | -78.8 | 177.2 | -34.5 | 0 | 0 | 110.1 | I414 | I414-Q416 HydrophobicContact CG2-CG 4.1Å; I414-Q416 PolarHBondContact O-N 3.49Å | ||
| 417 | D | 36.3 | Very low | 33.5 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | 63.6 | 73.2 | 171.4 | -57.2 | -16.8 | 0 | 0 | 0 | 117.8 | ||||
| 418 | A | 33.1 | Very low | 32.9 | Very low | 86 Ų | 86 | 145.8 Ų | 145.8 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -118.7 | 94.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | I420 | A418-I420 PolarHBondContact O-N 3.07Š| ||
| 419 | S | 29.9 | Very low | 32.4 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -74 | 92.8 | 177.2 | 45.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 420 | I | 33.3 | Very low | 32 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 64% | 0.636 | 81% | 0.811 | S | S | * | * | trans | -95 | 102 | 175.3 | -57 | 176.8 | 0 | 0 | 0 | 109.2 | A418 F422 | A418-I420 PolarHBondContact O-N 3.07Å; I420-F422 HydrophobicContact CB-CE2 4.28Å; I420-F422 HydrophobicContact CG2-CD2 4.15Å; I420-F422 HydrophobicContact CG2-CE1 4.31Å; I420-F422 HydrophobicContact CG2-CE2 3.67Å; I420-F422 HydrophobicContact CG2-CZ 3.76Å | ||
| 421 | T | 28.8 | Very low | 31.9 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -81.8 | 115.2 | 169.9 | -0.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 422 | F | 29.8 | Very low | 31.8 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 80% | 0.803 | 81% | 0.812 | S | S | * | * | trans | -83.9 | 116.9 | 172.4 | -68 | -90.1 | 0 | 0 | 0 | 109.8 | I420 N424 | I420-F422 HydrophobicContact CB-CE2 4.28Å; I420-F422 HydrophobicContact CG2-CD2 4.15Å; I420-F422 HydrophobicContact CG2-CE1 4.31Å; I420-F422 HydrophobicContact CG2-CE2 3.67Å; I420-F422 HydrophobicContact CG2-CZ 3.76Å; F422-N424 PolarHBondContact O-N 3.28Å | ||
| 423 | V | 32.1 | Very low | 31.6 | Very low | 136 Ų | 136 | 146 Ų | 146 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | trans | -81.9 | 112.2 | 171.6 | 177.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 424 | N | 32.9 | Very low | 31 | Very low | 165 Ų | 165 | 145.2 Ų | 145.2 | 88% | 0.882 | 83% | 0.825 | S | S | * | * | trans | -74.1 | 130.9 | 171.6 | -128 | 8.1 | 0 | 0 | 0 | 109 | F422 | F422-N424 PolarHBondContact O-N 3.28Š| ||
| 425 | A | 37.1 | Very low | 30.6 | Very low | 93 Ų | 93 | 143.5 Ų | 143.5 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -119.1 | 49.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 426 | E | 34.7 | Very low | 30.4 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | trans | -140.3 | 93.8 | 164.1 | -75.7 | -162.8 | 162.1 | 0 | 0 | 110.9 | ||||
| 427 | A | 30.7 | Very low | 30.1 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | 172.4 | 121.7 | 151.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 428 | G | 26.2 | Very low | 29.6 | Very low | 83 Ų | 83 | 139.2 Ų | 139.2 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | 166.2 | 54.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 429 | L | 29.8 | Very low | 29.4 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 94% | 0.937 | 83% | 0.834 | S | S | * | * | trans | -91.6 | 118.2 | 160.8 | -82.1 | 167 | 0 | 0 | 0 | 108.9 | ||||
| 430 | S | 27.9 | Very low | 29.4 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | -171.6 | 139.5 | 143.7 | 51.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 431 | D | 29.3 | Very low | 29.1 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 84% | 0.84 | 83% | 0.834 | S | S | * | * | trans | -62.9 | 141.8 | -174.5 | -43.7 | -77.1 | 0 | 0 | 0 | 115.1 | ||||
| 432 | E | 29.3 | Very low | 29.1 | Very low | 192 Ų | 192 | 145.6 Ų | 145.6 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | trans | -172.4 | 124.4 | 130.3 | -111.8 | -178.3 | 154.3 | 0 | 0 | 111.8 | ||||
| 433 | E | 28.3 | Very low | 29.1 | Very low | 184 Ų | 184 | 144.7 Ų | 144.7 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | 164.3 | 75.7 | 143.8 | -92.5 | -83.3 | 133.2 | 0 | 0 | 109.1 | ||||
| 434 | T | 25 | Very low | 29 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | trans | -93 | 107.9 | 167.7 | -25.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 435 | S | 24.5 | Very low | 28.7 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 68% | 0.678 | 82% | 0.823 | S | S | * | * | trans | -168.6 | 130.6 | 154.6 | -98.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 436 | K | 27.1 | Very low | 28.3 | Very low | 200 Ų | 200 | 142.3 Ų | 142.3 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | trans | 68.7 | 107.3 | 158.1 | -58.1 | 167 | -174.7 | 171.6 | 0 | 115.4 | ||||
| 437 | S | 26 | Very low | 27.9 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | -148.6 | 140.1 | 59.4 | 45.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 438 | S | 26 | Very low | 27.7 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -98.8 | 140.8 | 167.6 | 47.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 439 | L | 28.3 | Very low | 28.6 | Very low | 174 Ų | 174 | 141.7 Ų | 141.7 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -144.8 | 126.6 | 141.3 | -143.2 | 81.2 | 0 | 0 | 0 | 108.2 | ||||
| 440 | E | 30.1 | Very low | 28.5 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | -72.8 | 160.3 | 174.4 | -59.4 | 160.5 | 130.6 | 0 | 0 | 108.1 | ||||
| 441 | D | 27.8 | Very low | 28.5 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | -177.3 | 146.4 | 69.7 | -123.8 | -6.1 | 0 | 0 | 0 | 114 | |||||
| 442 | N | 29.1 | Very low | 28.3 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | trans | 46.7 | 118 | 142.4 | -62.6 | -43.1 | 0 | 0 | 0 | 123.2 | ||||
| 443 | L | 29.3 | Very low | 28.2 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | 166.7 | 110.5 | 104 | -83.3 | 169.1 | 0 | 0 | 0 | 108.1 | |||||
| 444 | A | 29.8 | Very low | 28.3 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | 84.8 | 115.7 | 68.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 445 | G | 26.9 | Very low | 28.4 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | 100.5 | 141.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 446 | E | 29 | Very low | 28.6 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | -157.8 | 156.8 | 1.5 | -108 | 171.4 | 144.9 | 0 | 0 | 111.3 | ||||
| 447 | E | 26.4 | Very low | 28.5 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | 56.2 | 108.1 | 148 | -60.4 | -170.5 | 149.6 | 0 | 0 | 124.4 | ||||
| 448 | S | 26.3 | Very low | 29.5 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | 47.9 | 162.8 | 96.1 | -55.5 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 449 | P | 43.8 | Very low | 29.6 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | cis | -143.8 | -162 | -40.8 | 39.9 | -20.5 | 0 | 0 | 0 | 114.2 | ||||
| 450 | Q | 27.6 | Very low | 29.5 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 77.9 | 148.5 | 157.2 | -71.9 | 173.2 | 1.5 | 0 | 0 | 119.4 | ||||
| 451 | Q | 27.9 | Very low | 29.2 | Very low | 169 Ų | 169 | 132.2 Ų | 132.2 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | cis | -166.1 | 147.5 | -17.1 | -124.1 | 166.3 | -18.6 | 0 | 0 | 111.2 | ||||
| 452 | G | 25.7 | Very low | 29.2 | Very low | 77 Ų | 77 | 129.9 Ų | 129.9 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 64.7 | 163.1 | 138.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 453 | A | 28.3 | Very low | 29 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | cis | -167.4 | 158.2 | -10.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 454 | E | 29.3 | Very low | 28.9 | Very low | 194 Ų | 194 | 133.3 Ų | 133.3 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | trans | 60.2 | 162.5 | 155.6 | -66.4 | -175.9 | 163.9 | 0 | 0 | 121.1 | ||||
| 455 | A | 27.6 | Very low | 29.2 | Very low | 79 Ų | 79 | 134 Ų | 134 | 65% | 0.653 | 78% | 0.778 | S | S | * | * | cis | -171.6 | 158.9 | -36.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 456 | K | 29.1 | Very low | 29.2 | Very low | 209 Ų | 209 | 135.3 Ų | 135.3 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | 74.3 | 133.2 | 156.2 | -70.4 | 169.1 | -179.3 | 171.4 | 0 | 122.1 | ||||
| 457 | A | 25.1 | Very low | 29.1 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -103.5 | -157.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 458 | P | 46.1 | Very low | 29.2 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -137 | -148.7 | -9.1 | 38.5 | -15.3 | 0 | 0 | 0 | 113.2 | ||||
| 459 | L | 27.2 | Very low | 29.2 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 96 | 143.3 | 166.5 | -60.1 | 169.3 | 0 | 0 | 0 | 117.3 | ||||
| 460 | N | 26 | Very low | 28.4 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | cis | -161.2 | 174.7 | -22.7 | -158 | 7.6 | 0 | 0 | 0 | 111 | ||||
| 461 | M | 25.8 | Very low | 28.3 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | trans | -52.4 | 158.1 | 176.3 | -94.1 | -180 | -87.7 | 0 | 0 | 117.6 | ||||
| 462 | G | 26 | Very low | 28.2 | Very low | 80 Ų | 80 | 134.7 Ų | 134.7 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -163.1 | 126.2 | 158 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 463 | E | 25.7 | Very low | 28.3 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -98.7 | 149.5 | -177.7 | -67.8 | 175.8 | 113.7 | 0 | 0 | 113.3 | ||||
| 464 | F | 26.7 | Very low | 28.3 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | 21.6 | 149.3 | 139.8 | -73.7 | -68.9 | 0 | 0 | 0 | 122.1 | ||||
| 465 | P | 36.5 | Very low | 28.2 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | -154.3 | 170.7 | 54.9 | 43.6 | -22.8 | 0 | 0 | 0 | 120.7 | |||||
| 466 | S | 27.1 | Very low | 28.4 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | 46.8 | 145.3 | 140.6 | 62.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 467 | S | 26.8 | Very low | 28.3 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | cis | -163.7 | -166.9 | 3 | 48.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 468 | D | 28.8 | Very low | 28.7 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | 90.2 | 77.6 | 165.1 | -54.2 | 13.5 | 0 | 0 | 0 | 114 | ||||
| 469 | E | 27 | Very low | 28.1 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | 85 | 99.8 | 71.7 | -170.4 | 175.8 | -150.3 | 0 | 0 | 113.8 | |||||
| 470 | S | 26.6 | Very low | 28.4 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | trans | -156.4 | 119.2 | 147.3 | -165.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 471 | T | 25.7 | Very low | 29.3 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | trans | -108 | 123.1 | -174 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | T473 | T471-T473 HydrophobicContact CG2-CG2 4.17Š| ||
| 472 | F | 24.9 | Very low | 30.2 | Very low | 202 Ų | 202 | 133.4 Ų | 133.4 | 89% | 0.886 | 77% | 0.769 | S | S | * | * | trans | -145.6 | 138.9 | 144.6 | -150.4 | -95.8 | 0 | 0 | 0 | 110.8 | ||||
| 473 | T | 28.2 | Very low | 31.1 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 61% | 0.613 | 76% | 0.763 | S | S | * | * | trans | -106.7 | 132.3 | -159.5 | 49.3 | 0 | 0 | 0 | 0 | 113.3 | T471 | T471-T473 HydrophobicContact CG2-CG2 4.17Š| ||
| 474 | S | 27.7 | Very low | 32.5 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | trans | -152 | 99.5 | 152.8 | -66.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 475 | T | 27.7 | Very low | 33.9 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -99.5 | 174.5 | 174.4 | 31.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 476 | E | 31.2 | Very low | 34.7 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | trans | 79.6 | 100.3 | -177.8 | -53.2 | -178.5 | 178.5 | 0 | 0 | 112.4 | ||||
| 477 | S | 28.6 | Very low | 36 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | cis | 66.6 | 76 | 35.7 | 94.2 | 0 | 0 | 0 | 0 | 113.6 | L479 | S477-L479 VanDerWaalsContact C-N 3.34Å; S477-L479 PolarHBondContact O-N 3.02Å | ||
| 478 | E | 33.3 | Very low | 37.5 | Very low | 208 Ų | 208 | 133 Ų | 133 | 97% | 0.972 | 72% | 0.717 | S | S | * | * | trans | -65.9 | 91.5 | 169.4 | -70.3 | -170.4 | 145.8 | 0 | 0 | 110.6 | ||||
| 479 | L | 33.7 | Very low | 38.9 | Very low | 153 Ų | 153 | 133 Ų | 133 | 80% | 0.801 | 71% | 0.713 | S | S | * | * | trans | -78.1 | 122.1 | 167.1 | -167.4 | 75.9 | 0 | 0 | 0 | 108.3 | S477 V481 | S477-L479 VanDerWaalsContact C-N 3.34Å; S477-L479 PolarHBondContact O-N 3.02Å; L479-V481 PolarHBondContact O-N 2.99Å | ||
| 480 | S | 33.5 | Very low | 40.3 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | trans | -65.5 | 104.5 | -179.3 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 481 | V | 42.8 | Very low | 41.4 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 52% | 0.521 | 68% | 0.682 | S | S | . | * | trans | -75.7 | 127.2 | 176.8 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | L479 Q485 | L479-V481 PolarHBondContact O-N 2.99Å; V481-Q485 HydrophobicContact CG1-CB 4.05Å; V481-Q485 HydrophobicContact CG1-CG 4.45Å | ||
| 482 | P | 46.2 | Very low | 42.8 | Very low | 85 Ų | 85 | 133.2 Ų | 133.2 | 55% | 0.552 | 69% | 0.687 | S | S | * | * | trans | -63.7 | 141.3 | 177.8 | -23.4 | 34.7 | 0 | 0 | 0 | 113.3 | E484 Q485 | P482-E484 PolarHBondContact O-N 3.21Å; P482-E484 VanDerWaalsContact O-N 3.1Å; P482-Q485 PolarHBondContact O-N 3.38Å | ||
| 483 | Y | 45.3 | Very low | 44 | Very low | 178 Ų | 178 | 127.4 Ų | 127.4 | 70% | 0.698 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -52.2 | -34.7 | -176.4 | 179.9 | -103.6 | 0 | 0 | 0 | 114.5 | Q485 L486 M487 | Y483-Q485 PolarHBondContact O-N 3.06Å; Y483-L486 PolarHBondContact O-N 3.31Å; Y483-M487 PolarHBondContact O-N 3.01Å; Y483-M487 VanDerWaalsContact O-N 3.14Å |
| 484 | E | 55.1 | Low | 44.8 | Very low | 154 Ų | 154 | 128 Ų | 128 | 72% | 0.72 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -62.2 | -29.5 | 178.9 | -61.9 | -169.1 | 151.7 | 0 | 0 | 113.5 | P482 N488 | P482-E484 PolarHBondContact O-N 3.21Å; P482-E484 VanDerWaalsContact O-N 3.1Å; E484-N488 PolarHBondContact O-N 3.05Å; E484-N488 VanDerWaalsContact O-N 3.09Å; E484-N488 PolarHBondContact O-ND2 3.49Å; E484-N488 VanDerWaalsContact O-ND2 3.17Å |
| 485 | Q | 54.5 | Low | 45.4 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 58% | 0.575 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -75.6 | -39.6 | -178.4 | -165.6 | 164.8 | -11.3 | 0 | 0 | 111.4 | V481 P482 Y483 M487 N488 E489 | V481-Q485 HydrophobicContact CG1-CB 4.05Å; V481-Q485 HydrophobicContact CG1-CG 4.45Å; P482-Q485 PolarHBondContact O-N 3.38Å; Y483-Q485 PolarHBondContact O-N 3.06Å; Q485-M487 VanDerWaalsContact C-N 3.34Å; Q485-N488 PolarHBondContact O-N 3.18Å; Q485-E489 PolarHBondContact O-N 3.1Å |
| 486 | L | 53.9 | Low | 46.2 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 55% | 0.545 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -63.4 | -39.6 | 171.4 | -74.8 | 167.9 | 0 | 0 | 0 | 111.9 | Y483 N488 E489 Y490 | Y483-L486 PolarHBondContact O-N 3.31Å; L486-N488 VanDerWaalsContact C-N 3.33Å; L486-N488 PolarHBondContact O-N 3.46Å; L486-E489 PolarHBondContact O-N 3.19Å; L486-Y490 PolarHBondContact O-N 3.44Å |
| 487 | M | 54.9 | Low | 46.7 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 38% | 0.379 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -69 | -32.8 | 179.4 | -151 | 65.7 | -167.4 | 0 | 0 | 112.3 | Y483 Q485 Y490 N491 | Y483-M487 PolarHBondContact O-N 3.01Å; Y483-M487 VanDerWaalsContact O-N 3.14Å; Q485-M487 VanDerWaalsContact C-N 3.34Å; M487-Y490 HydrophobicContact CE-CD1 4.38Å; M487-N491 WeakPolarHBondContact O-CB 3.25Å; M487-N491 VanDerWaalsContact O-CG 3.28Å; M487-N491 PolarHBondContact O-N 2.73Å; M487-N491 VanDerWaalsContact O-N 3.11Å; M487-N491 PolarHBondContact O-ND2 3.46Å; M487-N491 VanDerWaalsContact O-ND2 3.16Å |
| 488 | N | 57.6 | Low | 47.5 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 60% | 0.599 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.6 | -34.7 | 173.3 | -82 | -39.5 | 0 | 0 | 0 | 113.2 | E484 Q485 L486 K492 | E484-N488 PolarHBondContact O-N 3.05Å; E484-N488 VanDerWaalsContact O-N 3.09Å; E484-N488 PolarHBondContact O-ND2 3.49Å; E484-N488 VanDerWaalsContact O-ND2 3.17Å; Q485-N488 PolarHBondContact O-N 3.18Å; L486-N488 VanDerWaalsContact C-N 3.33Å; L486-N488 PolarHBondContact O-N 3.46Å; N488-K492 WeakPolarHBondContact O-CB 3.31Å; N488-K492 PolarHBondContact O-N 2.77Å |
| 489 | E | 59.2 | Low | 47.7 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 65% | 0.654 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -69.5 | -41.8 | 172.3 | -72 | -162.4 | 139.5 | 0 | 0 | 112.4 | Q485 L486 N491 K492 A493 | Q485-E489 PolarHBondContact O-N 3.1Å; L486-E489 PolarHBondContact O-N 3.19Å; E489-N491 VanDerWaalsContact C-N 3.33Å; E489-N491 PolarHBondContact O-N 3.48Å; E489-K492 WeakPolarHBondContact O-CB 3.5Å; E489-K492 PolarHBondContact O-N 3.36Å; E489-K492 VanDerWaalsContact O-N 3.09Å; E489-A493 PolarHBondContact O-N 3.31Å |
| 490 | Y | 55.1 | Low | 48.4 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 58% | 0.576 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -58 | -44.6 | 176.2 | -171.8 | -95.8 | 0 | 0 | 0 | 112.2 | L486 M487 K492 A493 | L486-Y490 PolarHBondContact O-N 3.44Å; M487-Y490 HydrophobicContact CE-CD1 4.38Å; Y490-K492 VanDerWaalsContact C-N 3.28Å; Y490-K492 PolarHBondContact O-N 3.24Å; Y490-A493 PolarHBondContact O-N 3.24Å |
| 491 | N | 50.7 | Low | 49.2 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 50% | 0.503 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -68.8 | -24.4 | 177.7 | -70.5 | -27.1 | 0 | 0 | 0 | 113.3 | M487 E489 | M487-N491 WeakPolarHBondContact O-CB 3.25Å; M487-N491 VanDerWaalsContact O-CG 3.28Å; M487-N491 PolarHBondContact O-N 2.73Å; M487-N491 VanDerWaalsContact O-N 3.11Å; M487-N491 PolarHBondContact O-ND2 3.46Å; M487-N491 VanDerWaalsContact O-ND2 3.16Å; E489-N491 VanDerWaalsContact C-N 3.33Å; E489-N491 PolarHBondContact O-N 3.48Å |
| 492 | K | 53.8 | Low | 49.5 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 78% | 0.783 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -79.3 | -25 | 178 | -148.4 | 172.6 | -170.9 | 177.4 | 0 | 112.9 | N488 E489 Y490 | N488-K492 WeakPolarHBondContact O-CB 3.31Å; N488-K492 PolarHBondContact O-N 2.77Å; E489-K492 WeakPolarHBondContact O-CB 3.5Å; E489-K492 PolarHBondContact O-N 3.36Å; E489-K492 VanDerWaalsContact O-N 3.09Å; Y490-K492 VanDerWaalsContact C-N 3.28Å; Y490-K492 PolarHBondContact O-N 3.24Å |
| 493 | A | 51.7 | Low | 49.7 | Very low | 81 Ų | 81 | 130.2 Ų | 130.2 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -77.6 | -26.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E489 Y490 | E489-A493 PolarHBondContact O-N 3.31Å; Y490-A493 PolarHBondContact O-N 3.24Å |
| 494 | N | 44.8 | Very low | 50 | Low | 113 Ų | 113 | 127.3 Ų | 127.3 | 60% | 0.604 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 28.5 | -173.2 | -83.2 | -25.3 | 0 | 0 | 0 | 114.8 | ||
| 495 | S | 39.3 | Very low | 49.7 | Very low | 87 Ų | 87 | 125.5 Ų | 125.5 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | trans | -92.7 | 116.3 | 169.6 | -70.5 | 0 | 0 | 0 | 0 | 110.8 | K497 | S495-K497 PolarHBondContact O-N 3.4Š| ||
| 496 | P | 44.3 | Very low | 49.3 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 83% | 0.831 | 69% | 0.691 | S | S | * | * | trans | -68.2 | 124.4 | 176.6 | 27.6 | -33 | 0 | 0 | 0 | 110.3 | G498 | P496-G498 PolarHBondContact O-N 3.1Š| ||
| 497 | K | 42.4 | Very low | 49 | Very low | 211 Ų | 211 | 127.3 Ų | 127.3 | 92% | 0.917 | 70% | 0.702 | S | S | * | * | trans | -68.8 | 115.8 | 172.1 | -72.4 | -177.4 | 177.3 | 178.5 | 0 | 109.3 | S495 | S495-K497 PolarHBondContact O-N 3.4Š| ||
| 498 | G | 44.7 | Very low | 48.5 | Very low | 61 Ų | 61 | 131.5 Ų | 131.5 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | trans | -79.4 | 155.2 | 168 | 0 | 0 | 0 | 0 | 0 | 112 | P496 | P496-G498 PolarHBondContact O-N 3.1Š| ||
| 499 | T | 38.4 | Very low | 47.7 | Very low | 224 Ų | 224 | 133.3 Ų | 133.3 | 100% | 1.374 | 74% | 0.741 | S | S | * | * | trans | 61.4 | 0 | -179.7 | 67.7 | 0 | 0 | 0 | 0 | 116.4 |
Retrieved 499 of 499 residues in 229.7 ms
(Link to these results)