| 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 | 46 | Very low | 43.2 | Very low | 222 Ų | 222 | 138.5 Ų | 138.5 | 100% | 1.094 | 69% | 0.687 | S | S | * | * | 0 | -11.4 | 0 | -74.9 | 175.7 | -169.6 | 0 | 0 | 115 | W3 | M1-W3 VanDerWaalsContact C-N 3.31Å; M1-W3 PolarHBondContact O-N 3.12Å | |||
| 2 | K | 42.3 | Very low | 43.5 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 86% | 0.857 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -7.2 | 178.9 | -147.4 | 164.7 | -177.6 | 180 | 0 | 115 | ||
| 3 | W | 30.7 | Very low | 43.7 | Very low | 218 Ų | 218 | 137.6 Ų | 137.6 | 83% | 0.826 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -16 | 178.6 | -80.9 | 101 | 0 | 0 | 0 | 114.6 | M1 V6 | M1-W3 VanDerWaalsContact C-N 3.31Å; M1-W3 PolarHBondContact O-N 3.12Å; W3-V6 HydrophobicContact CE3-CG1 4.13Å; W3-V6 HydrophobicContact CZ3-CG1 4.5Å |
| 4 | L | 40.8 | Very low | 43.8 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 67% | 0.665 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -28.3 | 178.3 | -70.3 | 170.3 | 0 | 0 | 0 | 112.2 | S7 E8 | L4-S7 PolarHBondContact O-N 3.45Å; L4-E8 PolarHBondContact O-N 3.35Å |
| 5 | A | 46.3 | Very low | 43.6 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 61% | 0.612 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -71.8 | -30.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | S7 | A5-S7 PolarHBondContact O-N 2.89Å |
| 6 | V | 46 | Very low | 43.6 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 59% | 0.588 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.4 | -17.5 | 173.8 | 91.4 | 0 | 0 | 0 | 0 | 112.2 | W3 | W3-V6 HydrophobicContact CE3-CG1 4.13Å; W3-V6 HydrophobicContact CZ3-CG1 4.5Å |
| 7 | S | 42.7 | Very low | 43.3 | Very low | 73 Ų | 73 | 124.7 Ų | 124.7 | 51% | 0.51 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -89.2 | -19.4 | 178.6 | -170.5 | 0 | 0 | 0 | 0 | 113.1 | L4 A5 | L4-S7 PolarHBondContact O-N 3.45Å; A5-S7 PolarHBondContact O-N 2.89Å |
| 8 | E | 47 | Very low | 43.2 | Very low | 140 Ų | 140 | 125.1 Ų | 125.1 | 65% | 0.654 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -83.5 | -28.5 | 175.6 | -108.5 | 173.8 | 92.8 | 0 | 0 | 112.9 | L4 S10 R11 | L4-E8 PolarHBondContact O-N 3.35Å; E8-S10 VanDerWaalsContact C-N 3.26Å; E8-S10 PolarHBondContact O-N 3.11Å; E8-R11 PolarHBondContact O-N 2.94Å; E8-R11 VanDerWaalsContact O-N 3.11Å |
| 9 | E | 45.4 | Very low | 43.1 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 54% | 0.537 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -58.4 | -41.5 | 167.6 | -168.4 | 80 | 77.3 | 0 | 0 | 110.7 | R11 R12 | E9-R11 PolarHBondContact O-N 3.21Å; E9-R12 PolarHBondContact O-N 3.23Å; E9-R12 IonicContact OE2-CZ 3.48Å; E9-R12 IonicContact OE2-NE 3.6Å; E9-R12 IonicContact OE2-NH2 2.63Å; E9-R12 PolarHBondContact OE2-NH2 3.35Å |
| 10 | S | 43.2 | Very low | 42.9 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 52% | 0.517 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.1 | -9.1 | 177 | -170.8 | 0 | 0 | 0 | 0 | 114.4 | E8 | E8-S10 VanDerWaalsContact C-N 3.26Å; E8-S10 PolarHBondContact O-N 3.11Å |
| 11 | R | 45 | Very low | 42.8 | Very low | 186 Ų | 186 | 124.4 Ų | 124.4 | 70% | 0.702 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -9.1 | 178.3 | -141.5 | -163.7 | -81.1 | -169.3 | -1.3 | 113.2 | E8 E9 L14 | E8-R11 PolarHBondContact O-N 2.94Å; E8-R11 VanDerWaalsContact O-N 3.11Å; E9-R11 PolarHBondContact O-N 3.21Å; R11-L14 HydrophobicContact CG-CD1 3.86Å |
| 12 | R | 46.2 | Very low | 42.6 | Very low | 194 Ų | 194 | 115.3 Ų | 115.3 | 73% | 0.732 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -10.1 | 165.6 | -72.1 | -163.4 | -70.7 | 164 | -8.5 | 113.2 | E9 L14 | E9-R12 PolarHBondContact O-N 3.23Å; E9-R12 IonicContact OE2-CZ 3.48Å; E9-R12 IonicContact OE2-NE 3.6Å; E9-R12 IonicContact OE2-NH2 2.63Å; E9-R12 PolarHBondContact OE2-NH2 3.35Å; R12-L14 VanDerWaalsContact C-N 3.33Å; R12-L14 PolarHBondContact O-N 3.33Å |
| 13 | D | 46.8 | Very low | 42.6 | Very low | 72 Ų | 72 | 109 Ų | 109 | 39% | 0.385 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.6 | -16.6 | 173.5 | -77.6 | -81.9 | 0 | 0 | 0 | 114.4 | G16 H17 | D13-G16 CarbonylContact O-C 3.6Å; D13-G16 PolarHBondContact O-N 3.4Å; D13-H17 PolarHBondContact O-CD2 3.23Å; D13-H17 PolarHBondContact O-N 2.97Å; D13-H17 VanDerWaalsContact O-N 3.16Å |
| 14 | L | 45.5 | Very low | 43.3 | Very low | 117 Ų | 117 | 101.2 Ų | 101.2 | 61% | 0.613 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -22.4 | -168.6 | -86.3 | 136.3 | 0 | 0 | 0 | 115.7 | R11 R12 G16 | R11-L14 HydrophobicContact CG-CD1 3.86Å; R12-L14 VanDerWaalsContact C-N 3.33Å; R12-L14 PolarHBondContact O-N 3.33Å; L14-G16 VanDerWaalsContact C-N 3.32Å |
| 15 | G | 40.6 | Very low | 43.8 | Very low | 79 Ų | 79 | 101 Ų | 101 | 81% | 0.814 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -14.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 16 | G | 43.8 | Very low | 44.2 | Very low | 13 Ų | 13 | 99.1 Ų | 99.1 | 13% | 0.134 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -9.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D13 L14 T18 R19 F20 | D13-G16 CarbonylContact O-C 3.6Å; D13-G16 PolarHBondContact O-N 3.4Å; L14-G16 VanDerWaalsContact C-N 3.32Å; G16-T18 VanDerWaalsContact C-N 3.28Å; G16-T18 PolarHBondContact O-N 3.2Å; G16-T18 VanDerWaalsContact O-N 3.09Å; G16-R19 CarbonylContact O-C 3.57Å; G16-R19 PolarHBondContact O-N 3.46Å; G16-F20 VanDerWaalsContact O-CB 3.29Å; G16-F20 WeakPolarHBondContact O-CB 3.41Å; G16-F20 WeakPolarHBondContact O-CD2 3.4Å; G16-F20 PolarHBondContact O-N 2.76Å |
| 17 | H | 37.7 | Very low | 44.7 | Very low | 122 Ų | 122 | 99 Ų | 99 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.4 | -27 | -167.4 | -124.9 | -92.1 | 0 | 0 | 0 | 115.3 | D13 A21 | D13-H17 PolarHBondContact O-CD2 3.23Å; D13-H17 PolarHBondContact O-N 2.97Å; D13-H17 VanDerWaalsContact O-N 3.16Å; H17-A21 WeakPolarHBondContact O-CB 2.68Å; H17-A21 PolarHBondContact O-N 3.11Å |
| 18 | T | 42 | Very low | 45.6 | Very low | 132 Ų | 132 | 104.5 Ų | 104.5 | 81% | 0.81 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -86.2 | -26.5 | 173.8 | 32.4 | 0 | 0 | 0 | 0 | 113.9 | G16 | G16-T18 VanDerWaalsContact C-N 3.28Å; G16-T18 PolarHBondContact O-N 3.2Å; G16-T18 VanDerWaalsContact O-N 3.09Å |
| 19 | R | 41.6 | Very low | 46.6 | Very low | 196 Ų | 196 | 99 Ų | 99 | 74% | 0.74 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -87.4 | -34.9 | 172.8 | -84.6 | -167.7 | 164.2 | -156.4 | -3.8 | 113.2 | G16 G22 V23 | G16-R19 CarbonylContact O-C 3.57Å; G16-R19 PolarHBondContact O-N 3.46Å; R19-G22 PolarHBondContact O-N 3.46Å; R19-V23 VanDerWaalsContact O-CG2 3.29Å; R19-V23 WeakPolarHBondContact O-CG2 3.39Å; R19-V23 PolarHBondContact O-N 3.12Å |
| 20 | F | 39.2 | Very low | 48 | Very low | 118 Ų | 118 | 96.9 Ų | 96.9 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -74.4 | -28.9 | 175 | -86.4 | -91.5 | 0 | 0 | 0 | 112.5 | G16 C24 | G16-F20 VanDerWaalsContact O-CB 3.29Å; G16-F20 WeakPolarHBondContact O-CB 3.41Å; G16-F20 WeakPolarHBondContact O-CD2 3.4Å; G16-F20 PolarHBondContact O-N 2.76Å; F20-C24 WeakPolarHBondContact O-CB 3.3Å; F20-C24 PolarHBondContact O-N 3.49Å; F20-C24 PolarHBondContact O-SG 2.97Å |
| 21 | A | 39.8 | Very low | 49.8 | Very low | 47 Ų | 47 | 98 Ų | 98 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | H17 I25 | H17-A21 WeakPolarHBondContact O-CB 2.68Å; H17-A21 PolarHBondContact O-N 3.11Å; A21-I25 VanDerWaalsContact O-CD1 3.24Å; A21-I25 WeakPolarHBondContact O-CD1 3.31Å; A21-I25 WeakPolarHBondContact O-CG1 3.21Å; A21-I25 PolarHBondContact O-N 3.42Å |
| 22 | G | 41.6 | Very low | 51.5 | Low | 31 Ų | 31 | 92.8 Ų | 92.8 | 32% | 0.32 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R19 I25 Q26 | R19-G22 PolarHBondContact O-N 3.46Å; G22-I25 PolarHBondContact O-N 2.94Å; G22-Q26 WeakPolarHBondContact O-CB 3.05Å; G22-Q26 PolarHBondContact O-N 3.19Å |
| 23 | V | 42.4 | Very low | 53.1 | Low | 65 Ų | 65 | 85.1 Ų | 85.1 | 39% | 0.394 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 176.6 | 174.7 | 0 | 0 | 0 | 0 | 111.7 | R19 I25 Q26 E27 | R19-V23 VanDerWaalsContact O-CG2 3.29Å; R19-V23 WeakPolarHBondContact O-CG2 3.39Å; R19-V23 PolarHBondContact O-N 3.12Å; V23-I25 VanDerWaalsContact C-N 3.29Å; V23-I25 PolarHBondContact O-N 3.33Å; V23-Q26 CarbonylContact O-C 3.59Å; V23-Q26 PolarHBondContact O-N 3.23Å; V23-Q26 VanDerWaalsContact O-N 3.13Å; V23-E27 HydrophobicContact CG1-CG 4.06Å; V23-E27 WeakPolarHBondContact CG1-OE1 3.07Å; V23-E27 WeakPolarHBondContact O-CB 3.1Å; V23-E27 WeakPolarHBondContact O-CG 3.42Å; V23-E27 PolarHBondContact O-N 3.1Å |
| 24 | C | 46.6 | Very low | 54.8 | Low | 53 Ų | 53 | 85.6 Ų | 85.6 | 36% | 0.358 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -35.7 | 173.9 | -84.9 | 0 | 0 | 0 | 0 | 112.9 | F20 R28 | F20-C24 WeakPolarHBondContact O-CB 3.3Å; F20-C24 PolarHBondContact O-N 3.49Å; F20-C24 PolarHBondContact O-SG 2.97Å; C24-R28 WeakPolarHBondContact O-CG 3.25Å; C24-R28 PolarHBondContact O-N 3.42Å |
| 25 | I | 50.4 | Low | 56.8 | Low | 123 Ų | 123 | 86.7 Ų | 86.7 | 63% | 0.631 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -70.8 | -41.7 | 176.2 | -66 | 160.6 | 0 | 0 | 0 | 109.6 | A21 G22 V23 R28 A29 | A21-I25 VanDerWaalsContact O-CD1 3.24Å; A21-I25 WeakPolarHBondContact O-CD1 3.31Å; A21-I25 WeakPolarHBondContact O-CG1 3.21Å; A21-I25 PolarHBondContact O-N 3.42Å; G22-I25 PolarHBondContact O-N 2.94Å; V23-I25 VanDerWaalsContact C-N 3.29Å; V23-I25 PolarHBondContact O-N 3.33Å; I25-R28 PolarHBondContact O-N 3.4Å; I25-A29 PolarHBondContact O-N 3Å |
| 26 | Q | 54.2 | Low | 59 | Low | 34 Ų | 34 | 83.7 Ų | 83.7 | 16% | 0.159 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -73 | -34.6 | -179.2 | -156.2 | 164 | 15.8 | 0 | 0 | 113 | G22 V23 R28 A29 L30 V142 N146 | G22-Q26 WeakPolarHBondContact O-CB 3.05Å; G22-Q26 PolarHBondContact O-N 3.19Å; V23-Q26 CarbonylContact O-C 3.59Å; V23-Q26 PolarHBondContact O-N 3.23Å; V23-Q26 VanDerWaalsContact O-N 3.13Å; Q26-R28 VanDerWaalsContact C-N 3.34Å; Q26-R28 PolarHBondContact O-N 3.03Å; Q26-A29 PolarHBondContact O-N 2.8Å; Q26-L30 HydrophobicContact CG-CD1 4.21Å; Q26-L30 WeakPolarHBondContact O-CB 3.33Å; Q26-L30 WeakPolarHBondContact O-CD1 3.36Å; Q26-L30 VanDerWaalsContact O-CG 3.23Å; Q26-L30 WeakPolarHBondContact O-CG 3.49Å; Q26-L30 PolarHBondContact O-N 3.44Å; Q26-V142 HydrophobicContact CG-CG1 3.84Å; Q26-N146 VanDerWaalsContact NE2-CG 3.28Å; Q26-N146 PolarHBondContact NE2-ND2 3.08Å; Q26-N146 PolarHBondContact OE1-OD1 3.48Å; Q26-N146 VanDerWaalsContact OE1-OD1 3.13Å |
| 27 | E | 57.3 | Low | 61 | Low | 94 Ų | 94 | 83.7 Ų | 83.7 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57 | -47.2 | 172.4 | -77.9 | 172.5 | 178.5 | 0 | 0 | 111 | V23 A29 L30 I31 | V23-E27 HydrophobicContact CG1-CG 4.06Å; V23-E27 WeakPolarHBondContact CG1-OE1 3.07Å; V23-E27 WeakPolarHBondContact O-CB 3.1Å; V23-E27 WeakPolarHBondContact O-CG 3.42Å; V23-E27 PolarHBondContact O-N 3.1Å; E27-A29 VanDerWaalsContact C-N 3.35Å; E27-A29 PolarHBondContact O-N 3.44Å; E27-L30 PolarHBondContact O-N 3.12Å; E27-I31 WeakPolarHBondContact O-CB 3.06Å; E27-I31 VanDerWaalsContact O-CD1 3.3Å; E27-I31 WeakPolarHBondContact O-CD1 3.28Å; E27-I31 WeakPolarHBondContact O-CG1 3.19Å; E27-I31 PolarHBondContact O-N 2.81Å |
| 28 | R | 60.7 | Low | 63.3 | Low | 189 Ų | 189 | 80.6 Ų | 80.6 | 71% | 0.713 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.9 | -39 | 179.4 | -67.4 | -179.1 | -169 | -84.4 | -1.5 | 111.9 | C24 I25 Q26 S32 | C24-R28 WeakPolarHBondContact O-CG 3.25Å; C24-R28 PolarHBondContact O-N 3.42Å; I25-R28 PolarHBondContact O-N 3.4Å; Q26-R28 VanDerWaalsContact C-N 3.34Å; Q26-R28 PolarHBondContact O-N 3.03Å; R28-S32 PolarHBondContact O-N 3.42Å; R28-S32 VanDerWaalsContact O-N 3.08Å |
| 29 | A | 68.6 | Low | 65.6 | Low | 25 Ų | 25 | 78.4 Ų | 78.4 | 21% | 0.207 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.7 | -49.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I25 Q26 E27 I31 S32 L33 V142 | I25-A29 PolarHBondContact O-N 3Å; Q26-A29 PolarHBondContact O-N 2.8Å; E27-A29 VanDerWaalsContact C-N 3.35Å; E27-A29 PolarHBondContact O-N 3.44Å; A29-I31 VanDerWaalsContact C-N 3.35Å; A29-I31 PolarHBondContact O-N 2.97Å; A29-S32 PolarHBondContact O-N 3.41Å; A29-S32 PolarHBondContact O-OG 3.47Å; A29-L33 WeakPolarHBondContact O-CB 3.39Å; A29-L33 PolarHBondContact O-N 3.33Å; A29-V142 HydrophobicContact CB-CG1 4.44Å; A29-V142 HydrophobicContact CB-CG2 3.78Å |
| 30 | L | 73.8 | Confident | 67.8 | Low | 70 Ų | 70 | 69.1 Ų | 69.1 | 37% | 0.366 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 177.5 | -73.2 | 163.2 | 0 | 0 | 0 | 112.6 | Q26 E27 L33 S34 F139 F143 | Q26-L30 HydrophobicContact CG-CD1 4.21Å; Q26-L30 WeakPolarHBondContact O-CB 3.33Å; Q26-L30 WeakPolarHBondContact O-CD1 3.36Å; Q26-L30 VanDerWaalsContact O-CG 3.23Å; Q26-L30 WeakPolarHBondContact O-CG 3.49Å; Q26-L30 PolarHBondContact O-N 3.44Å; E27-L30 PolarHBondContact O-N 3.12Å; L30-L33 WeakPolarHBondContact O-CB 3.24Å; L30-L33 PolarHBondContact O-N 3.17Å; L30-S34 PolarHBondContact O-N 3.48Å; L30-F139 HydrophobicContact CD2-CE2 4.39Å; L30-F143 HydrophobicContact CD2-CE2 3.82Å; L30-F143 HydrophobicContact CD2-CZ 3.97Å |
| 31 | I | 82.2 | Confident | 69.8 | Low | 98 Ų | 98 | 67.5 Ų | 67.5 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.3 | -50.6 | 176.3 | -67.8 | 160.2 | 0 | 0 | 0 | 110 | E27 A29 L33 S34 F35 | E27-I31 WeakPolarHBondContact O-CB 3.06Å; E27-I31 VanDerWaalsContact O-CD1 3.3Å; E27-I31 WeakPolarHBondContact O-CD1 3.28Å; E27-I31 WeakPolarHBondContact O-CG1 3.19Å; E27-I31 PolarHBondContact O-N 2.81Å; A29-I31 VanDerWaalsContact C-N 3.35Å; A29-I31 PolarHBondContact O-N 2.97Å; I31-L33 PolarHBondContact O-N 3.16Å; I31-S34 PolarHBondContact O-N 3.32Å; I31-F35 HydrophobicContact CG2-CD2 3.94Å; I31-F35 HydrophobicContact CG2-CE2 3.93Å; I31-F35 WeakPolarHBondContact O-CD2 3.31Å; I31-F35 PolarHBondContact O-N 3.07Å; I31-F35 VanDerWaalsContact O-N 3.1Å |
| 32 | S | 80.8 | Confident | 72.1 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 54% | 0.538 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.3 | -34.7 | 179.1 | 72.5 | 0 | 0 | 0 | 0 | 112.8 | R28 A29 F35 G36 | R28-S32 PolarHBondContact O-N 3.42Å; R28-S32 VanDerWaalsContact O-N 3.08Å; A29-S32 PolarHBondContact O-N 3.41Å; A29-S32 PolarHBondContact O-OG 3.47Å; S32-F35 PolarHBondContact O-N 3.45Å; S32-G36 PolarHBondContact O-N 3.46Å |
| 33 | L | 80.2 | Confident | 74 | Confident | 32 Ų | 32 | 73.7 Ų | 73.7 | 17% | 0.168 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.6 | -41.7 | -179.8 | -145.6 | 121.6 | 0 | 0 | 0 | 111.7 | A29 L30 I31 G36 G37 T135 F139 | A29-L33 WeakPolarHBondContact O-CB 3.39Å; A29-L33 PolarHBondContact O-N 3.33Å; L30-L33 WeakPolarHBondContact O-CB 3.24Å; L30-L33 PolarHBondContact O-N 3.17Å; I31-L33 PolarHBondContact O-N 3.16Å; L33-G36 PolarHBondContact O-N 3.01Å; L33-G37 PolarHBondContact O-N 3.37Å; L33-T135 HydrophobicContact CD2-CG2 3.39Å; L33-T135 WeakPolarHBondContact CD2-O 3.49Å; L33-T135 HydrophobicContact CG-CG2 3.7Å; L33-T135 WeakPolarHBondContact O-CG2 3.15Å; L33-F139 HydrophobicContact CD1-CB 4.4Å; L33-F139 VanDerWaalsContact CD1-N 3.32Å; L33-F139 HydrophobicContact CD2-CB 3.81Å; L33-F139 HydrophobicContact CD2-CD2 4.18Å |
| 34 | S | 82 | Confident | 75.8 | Confident | 83 Ų | 83 | 71.2 Ų | 71.2 | 58% | 0.58 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.5 | -42.6 | 174.3 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | L30 I31 G37 A38 | L30-S34 PolarHBondContact O-N 3.48Å; I31-S34 PolarHBondContact O-N 3.32Å; S34-G37 PolarHBondContact O-N 2.96Å; S34-A38 WeakPolarHBondContact O-CB 3.38Å; S34-A38 PolarHBondContact O-N 3.2Å |
| 35 | F | 86.3 | Confident | 77.4 | Confident | 139 Ų | 139 | 75.1 Ų | 75.1 | 61% | 0.61 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 173.4 | -87.9 | -81.8 | 0 | 0 | 0 | 112 | I31 S32 A38 I39 | I31-F35 HydrophobicContact CG2-CD2 3.94Å; I31-F35 HydrophobicContact CG2-CE2 3.93Å; I31-F35 WeakPolarHBondContact O-CD2 3.31Å; I31-F35 PolarHBondContact O-N 3.07Å; I31-F35 VanDerWaalsContact O-N 3.1Å; S32-F35 PolarHBondContact O-N 3.45Å; F35-A38 PolarHBondContact O-N 3.03Å; F35-I39 WeakPolarHBondContact O-CB 3.49Å; F35-I39 WeakPolarHBondContact O-CD1 3.43Å; F35-I39 WeakPolarHBondContact O-CG1 3.34Å; F35-I39 PolarHBondContact O-N 3.46Å |
| 36 | G | 87.4 | Confident | 78.8 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 17% | 0.165 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.9 | -47 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S32 L33 A38 I39 G40 V131 | S32-G36 PolarHBondContact O-N 3.46Å; L33-G36 PolarHBondContact O-N 3.01Å; G36-A38 PolarHBondContact O-N 2.88Å; G36-I39 PolarHBondContact O-N 3.32Å; G36-G40 PolarHBondContact O-N 3.5Å; G36-V131 WeakPolarHBondContact O-CG1 3.3Å |
| 37 | G | 85.6 | Confident | 79.8 | Confident | 14 Ų | 14 | 72.7 Ų | 72.7 | 14% | 0.144 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | L33 S34 G40 L41 | L33-G37 PolarHBondContact O-N 3.37Å; S34-G37 PolarHBondContact O-N 2.96Å; G37-G40 PolarHBondContact O-N 3.34Å; G37-L41 WeakPolarHBondContact O-CB 3.46Å; G37-L41 WeakPolarHBondContact O-CG 3.21Å; G37-L41 PolarHBondContact O-N 3.28Å |
| 38 | A | 87.1 | Confident | 80.3 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 47% | 0.471 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S34 F35 G36 L41 M42 | S34-A38 WeakPolarHBondContact O-CB 3.38Å; S34-A38 PolarHBondContact O-N 3.2Å; F35-A38 PolarHBondContact O-N 3.03Å; G36-A38 PolarHBondContact O-N 2.88Å; A38-L41 PolarHBondContact O-N 3.07Å; A38-M42 WeakPolarHBondContact O-CB 3.21Å; A38-M42 PolarHBondContact O-N 3.49Å |
| 39 | I | 89.7 | Confident | 80.5 | Confident | 86 Ų | 86 | 65.5 Ų | 65.5 | 44% | 0.441 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 176.4 | -68.8 | 164.6 | 0 | 0 | 0 | 110.4 | F35 G36 L41 M42 F43 | F35-I39 WeakPolarHBondContact O-CB 3.49Å; F35-I39 WeakPolarHBondContact O-CD1 3.43Å; F35-I39 WeakPolarHBondContact O-CG1 3.34Å; F35-I39 PolarHBondContact O-N 3.46Å; G36-I39 PolarHBondContact O-N 3.32Å; I39-L41 PolarHBondContact O-N 3.34Å; I39-M42 PolarHBondContact O-N 2.95Å; I39-F43 HydrophobicContact CG2-CD2 3.64Å; I39-F43 HydrophobicContact CG2-CE2 3.45Å; I39-F43 VanDerWaalsContact CG2-CE2 3.45Å; I39-F43 WeakPolarHBondContact O-CD2 3.49Å; I39-F43 PolarHBondContact O-N 3.44Å |
| 40 | G | 86.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | G36 G37 F43 L44 | G36-G40 PolarHBondContact O-N 3.5Å; G37-G40 PolarHBondContact O-N 3.34Å; G40-F43 PolarHBondContact O-N 3.01Å; G40-L44 PolarHBondContact O-N 3.04Å |
| 41 | L | 82.8 | Confident | 79.1 | Confident | 84 Ų | 84 | 70.7 Ų | 70.7 | 44% | 0.44 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 176.2 | -70.9 | 173.6 | 0 | 0 | 0 | 112.4 | G37 A38 I39 L44 M45 L62 I132 | G37-L41 WeakPolarHBondContact O-CB 3.46Å; G37-L41 WeakPolarHBondContact O-CG 3.21Å; G37-L41 PolarHBondContact O-N 3.28Å; A38-L41 PolarHBondContact O-N 3.07Å; I39-L41 PolarHBondContact O-N 3.34Å; L41-L44 WeakPolarHBondContact O-CB 3.4Å; L41-L44 PolarHBondContact O-N 3.18Å; L41-M45 PolarHBondContact O-N 3.33Å; L41-L62 HydrophobicContact CD2-CD1 4.15Å; L41-I132 HydrophobicContact CD2-CD1 4Å; L41-I132 HydrophobicContact CG-CD1 4.42Å |
| 42 | M | 88.5 | Confident | 77.7 | Confident | 129 Ų | 129 | 71.7 Ų | 71.7 | 64% | 0.635 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.8 | -47.2 | 177 | -157.9 | -159.9 | -180 | 0 | 0 | 110.9 | A38 I39 L44 M45 L46 | A38-M42 WeakPolarHBondContact O-CB 3.21Å; A38-M42 PolarHBondContact O-N 3.49Å; I39-M42 PolarHBondContact O-N 2.95Å; M42-L44 VanDerWaalsContact C-N 3.27Å; M42-L44 PolarHBondContact O-N 2.77Å; M42-M45 PolarHBondContact O-N 3.38Å; M42-L46 HydrophobicContact CE-CD1 4.13Å; M42-L46 HydrophobicContact CG-CD1 3.89Å; M42-L46 WeakPolarHBondContact O-CD1 3.14Å; M42-L46 PolarHBondContact O-N 3.48Å; M42-L46 HydrophobicContact SD-CD1 4.46Å |
| 43 | F | 81.4 | Confident | 76.2 | Confident | 79 Ų | 79 | 71.6 Ų | 71.6 | 35% | 0.346 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.7 | -39 | 174.6 | -81.2 | -62.7 | 0 | 0 | 0 | 112.2 | I39 G40 L46 G47 L124 | I39-F43 HydrophobicContact CG2-CD2 3.64Å; I39-F43 HydrophobicContact CG2-CE2 3.45Å; I39-F43 VanDerWaalsContact CG2-CE2 3.45Å; I39-F43 WeakPolarHBondContact O-CD2 3.49Å; I39-F43 PolarHBondContact O-N 3.44Å; G40-F43 PolarHBondContact O-N 3.01Å; F43-L46 PolarHBondContact O-N 3.23Å; F43-G47 PolarHBondContact O-N 2.98Å; F43-L124 HydrophobicContact CB-CG 4.42Å; F43-L124 HydrophobicContact CD1-CD1 3.74Å; F43-L124 HydrophobicContact CD1-CD2 4.03Å; F43-L124 HydrophobicContact CD1-CG 3.69Å; F43-L124 HydrophobicContact CE1-CD1 4.02Å; F43-L124 HydrophobicContact CE1-CG 4.47Å; F43-L124 HydrophobicContact CG-CG 4.49Å; F43-L124 VanDerWaalsContact O-CD2 3.31Å; F43-L124 WeakPolarHBondContact O-CD2 3.1Å |
| 44 | L | 80 | Confident | 74.4 | Confident | 14 Ų | 14 | 75.8 Ų | 75.8 | 7% | 0.073 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 176.4 | -154.4 | 78.3 | 0 | 0 | 0 | 112.2 | G40 L41 M42 G47 C48 L62 V125 N129 | G40-L44 PolarHBondContact O-N 3.04Å; L41-L44 WeakPolarHBondContact O-CB 3.4Å; L41-L44 PolarHBondContact O-N 3.18Å; M42-L44 VanDerWaalsContact C-N 3.27Å; M42-L44 PolarHBondContact O-N 2.77Å; L44-G47 PolarHBondContact O-N 2.93Å; L44-C48 PolarHBondContact O-N 3.18Å; L44-C48 PolarHBondContact O-SG 2.84Å; L44-L62 HydrophobicContact CD2-CD1 3.74Å; L44-V125 HydrophobicContact CD1-CG1 3.94Å; L44-N129 WeakPolarHBondContact CD1-OD1 3.36Å |
| 45 | M | 80.3 | Confident | 73 | Confident | 134 Ų | 134 | 78 Ų | 78 | 66% | 0.66 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.5 | -41 | 175.5 | -88.1 | -66.9 | 165.7 | 0 | 0 | 112.2 | L41 M42 G47 C48 A49 | L41-M45 PolarHBondContact O-N 3.33Å; M42-M45 PolarHBondContact O-N 3.38Å; M45-G47 VanDerWaalsContact C-N 3.29Å; M45-G47 PolarHBondContact O-N 2.93Å; M45-C48 PolarHBondContact O-N 2.96Å; M45-A49 WeakPolarHBondContact O-CB 3.26Å; M45-A49 PolarHBondContact O-N 3.37Å |
| 46 | L | 79.7 | Confident | 71.3 | Confident | 94 Ų | 94 | 79 Ų | 79 | 49% | 0.492 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 173.7 | -89.4 | 80.1 | 0 | 0 | 0 | 111.8 | M42 F43 C48 L124 | M42-L46 HydrophobicContact CE-CD1 4.13Å; M42-L46 HydrophobicContact CG-CD1 3.89Å; M42-L46 WeakPolarHBondContact O-CD1 3.14Å; M42-L46 PolarHBondContact O-N 3.48Å; M42-L46 HydrophobicContact SD-CD1 4.46Å; F43-L46 PolarHBondContact O-N 3.23Å; L46-C48 VanDerWaalsContact C-N 3.33Å; L46-L124 HydrophobicContact CB-CD2 3.56Å |
| 47 | G | 75.1 | Confident | 69.5 | Low | 12 Ų | 12 | 85.5 Ų | 85.5 | 12% | 0.124 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -66.6 | -31.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F43 L44 M45 | F43-G47 PolarHBondContact O-N 2.98Å; L44-G47 PolarHBondContact O-N 2.93Å; M45-G47 VanDerWaalsContact C-N 3.29Å; M45-G47 PolarHBondContact O-N 2.93Å |
| 48 | C | 66.7 | Low | 68.1 | Low | 57 Ų | 57 | 86.5 Ų | 86.5 | 39% | 0.385 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -91.2 | -18.4 | -179.9 | -61.6 | 0 | 0 | 0 | 0 | 114 | L44 M45 L46 L50 P58 | L44-C48 PolarHBondContact O-N 3.18Å; L44-C48 PolarHBondContact O-SG 2.84Å; M45-C48 PolarHBondContact O-N 2.96Å; L46-C48 VanDerWaalsContact C-N 3.33Å; C48-L50 VanDerWaalsContact C-N 3.29Å; C48-L50 PolarHBondContact O-N 2.81Å; C48-P58 VanDerWaalsContact SG-CG 3.58Å |
| 49 | A | 66.1 | Low | 66.7 | Low | 75 Ų | 75 | 88.5 Ų | 88.5 | 62% | 0.62 | 45% | 0.453 | S | S | * | . | trans | -80.1 | -3.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | M45 P51 | M45-A49 WeakPolarHBondContact O-CB 3.26Å; M45-A49 PolarHBondContact O-N 3.37Å; A49-P51 WeakPolarHBondContact O-CD 3.03Å | ||
| 50 | L | 61.7 | Low | 65.2 | Low | 81 Ų | 81 | 90.5 Ų | 90.5 | 42% | 0.424 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -71.6 | 114 | 176.3 | -156 | 70 | 0 | 0 | 0 | 109.1 | C48 I52 Y53 | C48-L50 VanDerWaalsContact C-N 3.29Å; C48-L50 PolarHBondContact O-N 2.81Å; L50-I52 PolarHBondContact O-N 3.38Å; L50-Y53 PolarHBondContact O-N 3.36Å |
| 51 | P | 50.1 | Low | 64 | Low | 123 Ų | 123 | 91.4 Ų | 91.4 | 80% | 0.799 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 9.6 | -158.4 | 26.6 | -35.9 | 0 | 0 | 0 | 116.1 | A49 | A49-P51 WeakPolarHBondContact O-CD 3.03Š|
| 52 | I | 54.2 | Low | 63.1 | Low | 119 Ų | 119 | 90.1 Ų | 90.1 | 61% | 0.61 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -17.7 | -179.9 | -56.2 | 172.5 | 0 | 0 | 0 | 111 | L50 | L50-I52 PolarHBondContact O-N 3.38Š|
| 53 | Y | 48.3 | Very low | 61.8 | Low | 75 Ų | 75 | 89.7 Ų | 89.7 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | trans | -125.3 | 88 | -171.9 | -61.4 | -71.8 | 0 | 0 | 0 | 113.1 | L50 K55 L116 | L50-Y53 PolarHBondContact O-N 3.36Å; Y53-K55 PolarHBondContact O-N 3.08Å; Y53-L116 HydrophobicContact CD1-CB 4.13Å; Y53-L116 HydrophobicContact CD1-CD2 4.03Å; Y53-L116 WeakPolarHBondContact CD1-O 3.45Å; Y53-L116 WeakPolarHBondContact CD2-O 3.5Å; Y53-L116 HydrophobicContact CE1-CB 3.68Å; Y53-L116 HydrophobicContact CE1-CD2 3.36Å; Y53-L116 HydrophobicContact CE1-CG 4.1Å; Y53-L116 WeakPolarHBondContact CE1-O 3.45Å; Y53-L116 WeakPolarHBondContact CE2-O 3.41Å; Y53-L116 VanDerWaalsContact OH-C 3.31Å; Y53-L116 VanDerWaalsContact OH-CA 3.3Å; Y53-L116 WeakPolarHBondContact OH-CA 3.22Å; Y53-L116 PolarHBondContact OH-O 3.04Å | ||
| 54 | N | 43.4 | Very low | 60.5 | Low | 121 Ų | 121 | 89.8 Ų | 89.8 | 65% | 0.647 | 45% | 0.452 | S | S | * | . | trans | -66.5 | 55.3 | 165.1 | -142.5 | -75 | 0 | 0 | 0 | 110.8 | Y56 | N54-Y56 PolarHBondContact OD1-OH 3.4Š| ||
| 55 | K | 51.7 | Low | 59.5 | Low | 128 Ų | 128 | 91.3 Ų | 91.3 | 56% | 0.557 | 46% | 0.457 | S | S | * | . | trans | -136 | 91 | -173.6 | -63.8 | -65.2 | 176.9 | -172.8 | 0 | 110.1 | Y53 W57 P58 | Y53-K55 PolarHBondContact O-N 3.08Å; K55-W57 PolarHBondContact O-N 3.23Å; K55-P58 WeakPolarHBondContact O-CD 3.39Å | ||
| 56 | Y | 49.8 | Very low | 58.4 | Low | 162 Ų | 162 | 90.3 Ų | 90.3 | 64% | 0.635 | 45% | 0.453 | S | S | * | . | trans | -62.6 | 15.7 | 171.7 | -34.8 | -86.4 | 0 | 0 | 0 | 114.2 | N54 L59 | N54-Y56 PolarHBondContact OD1-OH 3.4Å; Y56-L59 WeakPolarHBondContact O-CB 3.46Å; Y56-L59 PolarHBondContact O-N 2.96Å; Y56-L59 VanDerWaalsContact O-N 3.16Å | ||
| 57 | W | 50.8 | Low | 57.1 | Low | 151 Ų | 151 | 88.6 Ų | 88.6 | 57% | 0.572 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -38.8 | -177.9 | -97.4 | 68.5 | 0 | 0 | 0 | 115.1 | K55 L59 F60 L107 F111 | K55-W57 PolarHBondContact O-N 3.23Å; W57-L59 PolarHBondContact O-N 3.25Å; W57-F60 WeakPolarHBondContact O-CB 3.45Å; W57-F60 PolarHBondContact O-N 3.21Å; W57-F60 VanDerWaalsContact O-N 3.14Å; W57-L107 HydrophobicContact CB-CD2 4.34Å; W57-L107 HydrophobicContact CE3-CD1 3.88Å; W57-L107 HydrophobicContact CE3-CD2 3.97Å; W57-L107 HydrophobicContact CE3-CG 4.19Å; W57-L107 HydrophobicContact CZ3-CD1 4.18Å; W57-F111 HydrophobicContact CB-CE2 3.89Å; W57-F111 HydrophobicContact CB-CZ 4.02Å; W57-F111 HydrophobicContact CD2-CZ 4.34Å; W57-F111 HydrophobicContact CG-CE2 4.42Å; W57-F111 HydrophobicContact CG-CZ 4.11Å |
| 58 | P | 55.2 | Low | 56.1 | Low | 35 Ų | 35 | 89.3 Ų | 89.3 | 23% | 0.227 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.9 | -17.4 | 174.6 | 23.7 | -30.2 | 0 | 0 | 0 | 113.4 | C48 K55 F60 V61 L62 | C48-P58 VanDerWaalsContact SG-CG 3.58Å; K55-P58 WeakPolarHBondContact O-CD 3.39Å; P58-F60 PolarHBondContact O-N 3.02Å; P58-V61 WeakPolarHBondContact O-CB 3.3Å; P58-V61 PolarHBondContact O-N 2.85Å; P58-L62 PolarHBondContact O-N 3.35Å |
| 59 | L | 58.2 | Low | 55.5 | Low | 100 Ų | 100 | 89.8 Ų | 89.8 | 52% | 0.524 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.3 | -24 | 173.2 | -117.6 | 172.6 | 0 | 0 | 0 | 112.1 | Y56 W57 V61 L62 F63 | Y56-L59 WeakPolarHBondContact O-CB 3.46Å; Y56-L59 PolarHBondContact O-N 2.96Å; Y56-L59 VanDerWaalsContact O-N 3.16Å; W57-L59 PolarHBondContact O-N 3.25Å; L59-V61 VanDerWaalsContact C-N 3.35Å; L59-L62 HydrophobicContact CD2-CB 4.21Å; L59-L62 VanDerWaalsContact O-CB 3.3Å; L59-L62 WeakPolarHBondContact O-CB 3.43Å; L59-L62 PolarHBondContact O-N 3.22Å; L59-F63 PolarHBondContact O-N 3.03Å |
| 60 | F | 59.1 | Low | 55 | Low | 127 Ų | 127 | 90.4 Ų | 90.4 | 56% | 0.557 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -67.6 | -34.6 | 174.6 | -163.9 | -106.6 | 0 | 0 | 0 | 112.2 | W57 P58 L62 F63 F64 | W57-F60 WeakPolarHBondContact O-CB 3.45Å; W57-F60 PolarHBondContact O-N 3.21Å; W57-F60 VanDerWaalsContact O-N 3.14Å; P58-F60 PolarHBondContact O-N 3.02Å; F60-L62 VanDerWaalsContact C-N 3.29Å; F60-L62 PolarHBondContact O-N 2.77Å; F60-F63 WeakPolarHBondContact O-CB 3.21Å; F60-F63 PolarHBondContact O-N 3.42Å; F60-F64 HydrophobicContact CD1-CD2 4.08Å; F60-F64 AromaticContact CD1-CE2 3.96Å; F60-F64 HydrophobicContact CD1-CE2 3.96Å; F60-F64 AromaticContact CE1-CD2 3.93Å; F60-F64 HydrophobicContact CE1-CD2 3.93Å; F60-F64 AromaticContact CE1-CE2 3.33Å; F60-F64 HydrophobicContact CE1-CE2 3.33Å; F60-F64 HydrophobicContact CE1-CZ 4.36Å; F60-F64 HydrophobicContact CE2-CE2 4.49Å; F60-F64 HydrophobicContact CZ-CD2 4.44Å; F60-F64 AromaticContact CZ-CE2 3.64Å; F60-F64 HydrophobicContact CZ-CE2 3.64Å; F60-F64 WeakPolarHBondContact O-CD2 3.32Å; F60-F64 PolarHBondContact O-N 2.83Å; F60-F64 VanDerWaalsContact O-N 3.17Å |
| 61 | V | 61.3 | Low | 54.4 | Low | 20 Ų | 20 | 87.8 Ų | 87.8 | 12% | 0.121 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 172.7 | 176 | 0 | 0 | 0 | 0 | 110.6 | P58 L59 F63 F64 Y65 A104 L107 | P58-V61 WeakPolarHBondContact O-CB 3.3Å; P58-V61 PolarHBondContact O-N 2.85Å; L59-V61 VanDerWaalsContact C-N 3.35Å; V61-F63 VanDerWaalsContact C-N 3.31Å; V61-F63 PolarHBondContact O-N 3.43Å; V61-F64 PolarHBondContact O-N 2.96Å; V61-Y65 PolarHBondContact O-N 3Å; V61-A104 HydrophobicContact CG1-CB 3.69Å; V61-L107 HydrophobicContact CG2-CD1 4.45Å |
| 62 | L | 62.9 | Low | 54.7 | Low | 56 Ų | 56 | 85.3 Ų | 85.3 | 29% | 0.293 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.2 | -34.8 | 176.1 | -137.8 | 134.7 | 0 | 0 | 0 | 111.9 | L41 L44 P58 L59 F60 Y65 I66 | L41-L62 HydrophobicContact CD2-CD1 4.15Å; L44-L62 HydrophobicContact CD2-CD1 3.74Å; P58-L62 PolarHBondContact O-N 3.35Å; L59-L62 HydrophobicContact CD2-CB 4.21Å; L59-L62 VanDerWaalsContact O-CB 3.3Å; L59-L62 WeakPolarHBondContact O-CB 3.43Å; L59-L62 PolarHBondContact O-N 3.22Å; F60-L62 VanDerWaalsContact C-N 3.29Å; F60-L62 PolarHBondContact O-N 2.77Å; L62-Y65 WeakPolarHBondContact O-CB 3.5Å; L62-Y65 PolarHBondContact O-N 2.78Å; L62-I66 WeakPolarHBondContact O-CG1 3.47Å; L62-I66 PolarHBondContact O-N 3.34Å; L62-I66 VanDerWaalsContact O-N 3.08Å |
| 63 | F | 61.7 | Low | 54.6 | Low | 121 Ų | 121 | 83.5 Ų | 83.5 | 53% | 0.531 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 172.5 | -167.8 | -93.2 | 0 | 0 | 0 | 112.3 | L59 F60 V61 Y65 I66 L67 | L59-F63 PolarHBondContact O-N 3.03Å; F60-F63 WeakPolarHBondContact O-CB 3.21Å; F60-F63 PolarHBondContact O-N 3.42Å; V61-F63 VanDerWaalsContact C-N 3.31Å; V61-F63 PolarHBondContact O-N 3.43Å; F63-Y65 PolarHBondContact O-N 3.04Å; F63-I66 CarbonylContact O-C 3.57Å; F63-I66 PolarHBondContact O-N 3.05Å; F63-I66 VanDerWaalsContact O-N 3.15Å; F63-L67 HydrophobicContact CD1-CD1 3.87Å; F63-L67 HydrophobicContact CE1-CD1 3.58Å; F63-L67 HydrophobicContact CZ-CD1 4.24Å; F63-L67 WeakPolarHBondContact O-CD1 3.34Å; F63-L67 PolarHBondContact O-N 3.22Å |
| 64 | F | 55.1 | Low | 54.9 | Low | 80 Ų | 80 | 83.2 Ų | 83.2 | 35% | 0.351 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.1 | -29.3 | 172.3 | -89.4 | -90 | 0 | 0 | 0 | 112.9 | F60 V61 L67 S68 I100 | F60-F64 HydrophobicContact CD1-CD2 4.08Å; F60-F64 AromaticContact CD1-CE2 3.96Å; F60-F64 HydrophobicContact CD1-CE2 3.96Å; F60-F64 AromaticContact CE1-CD2 3.93Å; F60-F64 HydrophobicContact CE1-CD2 3.93Å; F60-F64 AromaticContact CE1-CE2 3.33Å; F60-F64 HydrophobicContact CE1-CE2 3.33Å; F60-F64 HydrophobicContact CE1-CZ 4.36Å; F60-F64 HydrophobicContact CE2-CE2 4.49Å; F60-F64 HydrophobicContact CZ-CD2 4.44Å; F60-F64 AromaticContact CZ-CE2 3.64Å; F60-F64 HydrophobicContact CZ-CE2 3.64Å; F60-F64 WeakPolarHBondContact O-CD2 3.32Å; F60-F64 PolarHBondContact O-N 2.83Å; F60-F64 VanDerWaalsContact O-N 3.17Å; V61-F64 PolarHBondContact O-N 2.96Å; F64-L67 CarbonylContact O-C 3.59Å; F64-L67 WeakPolarHBondContact O-CB 3.35Å; F64-L67 PolarHBondContact O-N 3.33Å; F64-S68 PolarHBondContact O-N 2.98Å; F64-S68 VanDerWaalsContact O-N 3.12Å; F64-I100 HydrophobicContact CB-CG1 4.37Å; F64-I100 HydrophobicContact CD1-CG1 4.34Å |
| 65 | Y | 57.7 | Low | 55.2 | Low | 47 Ų | 47 | 79.8 Ų | 79.8 | 18% | 0.184 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 170.9 | -128.1 | -100.5 | 0 | 0 | 0 | 112.5 | V61 L62 F63 L67 S68 I132 F133 I136 | V61-Y65 PolarHBondContact O-N 3Å; L62-Y65 WeakPolarHBondContact O-CB 3.5Å; L62-Y65 PolarHBondContact O-N 2.78Å; F63-Y65 PolarHBondContact O-N 3.04Å; Y65-L67 VanDerWaalsContact C-N 3.25Å; Y65-L67 PolarHBondContact O-N 3.38Å; Y65-S68 WeakPolarHBondContact O-CB 3.45Å; Y65-S68 PolarHBondContact O-N 3.48Å; Y65-S68 VanDerWaalsContact O-N 3.14Å; Y65-I132 HydrophobicContact CD1-CG2 4.03Å; Y65-I132 HydrophobicContact CE1-CB 4.36Å; Y65-I132 HydrophobicContact CE1-CG2 3.11Å; Y65-I132 HydrophobicContact CE2-CG2 4.16Å; Y65-I132 VanDerWaalsContact OH-CG2 3.23Å; Y65-I132 WeakPolarHBondContact OH-CG2 3.38Å; Y65-I132 PolarHBondContact OH-O 3.5Å; Y65-F133 AromaticContact CE2-CD1 3.94Å; Y65-F133 HydrophobicContact CE2-CD1 3.94Å; Y65-F133 AromaticContact CE2-CE1 3.61Å; Y65-F133 HydrophobicContact CE2-CE1 3.61Å; Y65-F133 HydrophobicContact CE2-CZ 4.03Å; Y65-F133 WeakPolarHBondContact OH-CA 3.34Å; Y65-F133 WeakPolarHBondContact OH-CD1 3.37Å; Y65-F133 PolarHBondContact OH-N 3.33Å; Y65-I136 HydrophobicContact CD1-CD1 3.81Å; Y65-I136 HydrophobicContact CE1-CD1 3.08Å; Y65-I136 HydrophobicContact CE1-CG1 3.5Å; Y65-I136 HydrophobicContact CE2-CD1 3.91Å; Y65-I136 HydrophobicContact CG-CD1 4.46Å; Y65-I136 WeakPolarHBondContact OH-CD1 3.43Å; Y65-I136 VanDerWaalsContact OH-CG1 3.32Å; Y65-I136 WeakPolarHBondContact OH-CG1 3.27Å |
| 66 | I | 57.7 | Low | 55.2 | Low | 112 Ų | 112 | 83.2 Ų | 83.2 | 57% | 0.574 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -74.5 | -15 | 173.5 | -64.9 | 170.2 | 0 | 0 | 0 | 112 | L62 F63 P69 | L62-I66 WeakPolarHBondContact O-CG1 3.47Å; L62-I66 PolarHBondContact O-N 3.34Å; L62-I66 VanDerWaalsContact O-N 3.08Å; F63-I66 CarbonylContact O-C 3.57Å; F63-I66 PolarHBondContact O-N 3.05Å; F63-I66 VanDerWaalsContact O-N 3.15Å; I66-P69 WeakPolarHBondContact O-CD 3.49Å; I66-P69 VanDerWaalsContact O-CG 3.24Å; I66-P69 WeakPolarHBondContact O-CG 3.32Å |
| 67 | L | 52.2 | Low | 55.2 | Low | 59 Ų | 59 | 86 Ų | 86 | 31% | 0.309 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -84.2 | -17.1 | 166.2 | -99.1 | 75.6 | 0 | 0 | 0 | 113 | F63 F64 Y65 P69 I70 P71 | F63-L67 HydrophobicContact CD1-CD1 3.87Å; F63-L67 HydrophobicContact CE1-CD1 3.58Å; F63-L67 HydrophobicContact CZ-CD1 4.24Å; F63-L67 WeakPolarHBondContact O-CD1 3.34Å; F63-L67 PolarHBondContact O-N 3.22Å; F64-L67 CarbonylContact O-C 3.59Å; F64-L67 WeakPolarHBondContact O-CB 3.35Å; F64-L67 PolarHBondContact O-N 3.33Å; Y65-L67 VanDerWaalsContact C-N 3.25Å; Y65-L67 PolarHBondContact O-N 3.38Å; L67-P69 VanDerWaalsContact C-N 3.29Å; L67-P69 WeakPolarHBondContact O-CD 3.36Å; L67-I70 HydrophobicContact CB-CD1 4.16Å; L67-I70 HydrophobicContact CD2-CD1 4.06Å; L67-I70 HydrophobicContact CG-CD1 3.62Å; L67-I70 WeakPolarHBondContact O-CB 3.45Å; L67-I70 VanDerWaalsContact O-CG1 3.27Å; L67-I70 WeakPolarHBondContact O-CG1 3.31Å; L67-I70 PolarHBondContact O-N 3.27Å; L67-P71 WeakPolarHBondContact O-CD 3.29Å |
| 68 | S | 55.2 | Low | 55.1 | Low | 27 Ų | 27 | 81.3 Ų | 81.3 | 19% | 0.189 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -21.7 | 171.1 | -167.4 | 0 | 0 | 0 | 0 | 116.5 | F64 Y65 I70 P71 | F64-S68 PolarHBondContact O-N 2.98Å; F64-S68 VanDerWaalsContact O-N 3.12Å; Y65-S68 WeakPolarHBondContact O-CB 3.45Å; Y65-S68 PolarHBondContact O-N 3.48Å; Y65-S68 VanDerWaalsContact O-N 3.14Å; S68-I70 PolarHBondContact O-N 2.73Å; S68-P71 WeakPolarHBondContact O-CD 3.5Å; S68-P71 VanDerWaalsContact O-CG 3.24Å; S68-P71 WeakPolarHBondContact O-CG 3.28Å |
| 69 | P | 52.5 | Low | 54.7 | Low | 66 Ų | 66 | 85.1 Ų | 85.1 | 43% | 0.429 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.7 | -14 | 168.6 | -5.7 | 21.2 | 0 | 0 | 0 | 112.9 | I66 L67 Y72 C73 | I66-P69 WeakPolarHBondContact O-CD 3.49Å; I66-P69 VanDerWaalsContact O-CG 3.24Å; I66-P69 WeakPolarHBondContact O-CG 3.32Å; L67-P69 VanDerWaalsContact C-N 3.29Å; L67-P69 WeakPolarHBondContact O-CD 3.36Å; P69-Y72 PolarHBondContact O-N 2.99Å; P69-C73 VanDerWaalsContact O-CB 3.3Å; P69-C73 WeakPolarHBondContact O-CB 3.45Å; P69-C73 PolarHBondContact O-N 3.33Å |
| 70 | I | 55.6 | Low | 54.3 | Low | 88 Ų | 88 | 87.1 Ų | 87.1 | 45% | 0.451 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.2 | -51.6 | 176.9 | -63.9 | 179.3 | 0 | 0 | 0 | 111.5 | L67 S68 Y72 C73 I74 | L67-I70 HydrophobicContact CB-CD1 4.16Å; L67-I70 HydrophobicContact CD2-CD1 4.06Å; L67-I70 HydrophobicContact CG-CD1 3.62Å; L67-I70 WeakPolarHBondContact O-CB 3.45Å; L67-I70 VanDerWaalsContact O-CG1 3.27Å; L67-I70 WeakPolarHBondContact O-CG1 3.31Å; L67-I70 PolarHBondContact O-N 3.27Å; S68-I70 PolarHBondContact O-N 2.73Å; I70-Y72 VanDerWaalsContact C-N 3.27Å; I70-Y72 PolarHBondContact O-N 3.24Å; I70-C73 PolarHBondContact O-N 3.4Å; I70-I74 HydrophobicContact CG2-CD1 3.71Å; I70-I74 WeakPolarHBondContact O-CB 3.22Å; I70-I74 WeakPolarHBondContact O-CD1 3.29Å; I70-I74 WeakPolarHBondContact O-CG1 3.26Å; I70-I74 PolarHBondContact O-N 3.35Å |
| 71 | P | 50.3 | Low | 53.7 | Low | 27 Ų | 27 | 86.8 Ų | 86.8 | 18% | 0.175 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.8 | -29.7 | 175.1 | 20.1 | -30.7 | 0 | 0 | 0 | 113.4 | L67 S68 A75 A93 | L67-P71 WeakPolarHBondContact O-CD 3.29Å; S68-P71 WeakPolarHBondContact O-CD 3.5Å; S68-P71 VanDerWaalsContact O-CG 3.24Å; S68-P71 WeakPolarHBondContact O-CG 3.28Å; P71-A75 WeakPolarHBondContact O-CB 3.48Å; P71-A75 PolarHBondContact O-N 3.48Å; P71-A93 HydrophobicContact CB-CB 3.98Å |
| 72 | Y | 55.5 | Low | 53.2 | Low | 70 Ų | 70 | 90.4 Ų | 90.4 | 28% | 0.275 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.4 | -41 | 175.9 | -167.2 | -98.4 | 0 | 0 | 0 | 112.8 | P69 I70 I74 A75 R76 F139 F140 | P69-Y72 PolarHBondContact O-N 2.99Å; I70-Y72 VanDerWaalsContact C-N 3.27Å; I70-Y72 PolarHBondContact O-N 3.24Å; Y72-I74 VanDerWaalsContact C-N 3.31Å; Y72-I74 PolarHBondContact O-N 3.27Å; Y72-A75 PolarHBondContact O-N 3.46Å; Y72-R76 PolarHBondContact O-N 3.28Å; Y72-R76 VanDerWaalsContact O-N 3.1Å; Y72-F139 HydrophobicContact CE2-CE1 4.47Å; Y72-F140 HydrophobicContact CD2-CD2 4.28Å; Y72-F140 AromaticContact CD2-CE2 3.97Å; Y72-F140 HydrophobicContact CD2-CE2 3.97Å; Y72-F140 HydrophobicContact CE2-CD2 4.44Å; Y72-F140 HydrophobicContact CE2-CE2 4.28Å |
| 73 | C | 53.2 | Low | 53 | Low | 81 Ų | 81 | 94.5 Ų | 94.5 | 55% | 0.547 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -34.2 | 173.9 | -86.1 | 0 | 0 | 0 | 0 | 112.2 | P69 I70 R77 | P69-C73 VanDerWaalsContact O-CB 3.3Å; P69-C73 WeakPolarHBondContact O-CB 3.45Å; P69-C73 PolarHBondContact O-N 3.33Å; I70-C73 PolarHBondContact O-N 3.4Å; C73-R77 WeakPolarHBondContact O-CG 3.22Å; C73-R77 PolarHBondContact O-N 2.92Å |
| 74 | I | 53.3 | Low | 52.7 | Low | 69 Ų | 69 | 92.3 Ų | 92.3 | 35% | 0.354 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.7 | -47.7 | 175.5 | -66 | 167.2 | 0 | 0 | 0 | 109.6 | I70 Y72 R76 R77 L78 C89 | I70-I74 HydrophobicContact CG2-CD1 3.71Å; I70-I74 WeakPolarHBondContact O-CB 3.22Å; I70-I74 WeakPolarHBondContact O-CD1 3.29Å; I70-I74 WeakPolarHBondContact O-CG1 3.26Å; I70-I74 PolarHBondContact O-N 3.35Å; Y72-I74 VanDerWaalsContact C-N 3.31Å; Y72-I74 PolarHBondContact O-N 3.27Å; I74-R76 VanDerWaalsContact C-N 3.25Å; I74-R76 PolarHBondContact O-N 3.08Å; I74-R77 PolarHBondContact O-N 3.16Å; I74-R77 VanDerWaalsContact O-N 3.08Å; I74-L78 HydrophobicContact CG2-CD1 3.66Å; I74-L78 HydrophobicContact CG2-CD2 4.13Å; I74-L78 HydrophobicContact CG2-CG 4.45Å; I74-L78 WeakPolarHBondContact O-CB 3.39Å; I74-L78 WeakPolarHBondContact O-CD1 3.38Å; I74-L78 PolarHBondContact O-N 2.87Å; I74-C89 VanDerWaalsContact CG2-SG 3.54Å |
| 75 | A | 50.3 | Low | 52.7 | Low | 50 Ų | 50 | 93.9 Ų | 93.9 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56 | -37.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | P71 Y72 | P71-A75 WeakPolarHBondContact O-CB 3.48Å; P71-A75 PolarHBondContact O-N 3.48Å; Y72-A75 PolarHBondContact O-N 3.46Å |
| 76 | R | 51.1 | Low | 52.8 | Low | 200 Ų | 200 | 95 Ų | 95 | 76% | 0.755 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -80.1 | -20.7 | 179.7 | -153.3 | 176.2 | -178.1 | -172.8 | 1.9 | 114.2 | Y72 I74 | Y72-R76 PolarHBondContact O-N 3.28Å; Y72-R76 VanDerWaalsContact O-N 3.1Å; I74-R76 VanDerWaalsContact C-N 3.25Å; I74-R76 PolarHBondContact O-N 3.08Å |
| 77 | R | 49.8 | Very low | 53.1 | Low | 220 Ų | 220 | 94.7 Ų | 94.7 | 83% | 0.83 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -91.5 | -16.3 | 173.6 | -74.2 | -127.8 | -177.3 | -172.9 | 1.1 | 113.4 | C73 I74 | C73-R77 WeakPolarHBondContact O-CG 3.22Å; C73-R77 PolarHBondContact O-N 2.92Å; I74-R77 PolarHBondContact O-N 3.16Å; I74-R77 VanDerWaalsContact O-N 3.08Å |
| 78 | L | 48.4 | Very low | 53.7 | Low | 52 Ų | 52 | 94.5 Ų | 94.5 | 27% | 0.272 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -99.1 | 1.7 | -174.9 | -97.9 | 75.5 | 0 | 0 | 0 | 115.2 | I74 D80 M85 | I74-L78 HydrophobicContact CG2-CD1 3.66Å; I74-L78 HydrophobicContact CG2-CD2 4.13Å; I74-L78 HydrophobicContact CG2-CG 4.45Å; I74-L78 WeakPolarHBondContact O-CB 3.39Å; I74-L78 WeakPolarHBondContact O-CD1 3.38Å; I74-L78 PolarHBondContact O-N 2.87Å; L78-D80 PolarHBondContact O-N 3.46Å; L78-M85 HydrophobicContact CD2-CB 4.15Å; L78-M85 HydrophobicContact CD2-CG 3.35Å |
| 79 | V | 48.4 | Very low | 54.2 | Low | 115 Ų | 115 | 94.3 Ų | 94.3 | 70% | 0.697 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.8 | 170.8 | 161.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 80 | D | 48.7 | Very low | 54.7 | Low | 143 Ų | 143 | 97.7 Ų | 97.7 | 77% | 0.765 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -21.7 | -176.3 | -138.2 | -129.1 | 0 | 0 | 0 | 114.1 | L78 | L78-D80 PolarHBondContact O-N 3.46Š|
| 81 | D | 47 | Very low | 55.6 | Low | 119 Ų | 119 | 100.4 Ų | 100.4 | 64% | 0.636 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -147.1 | 108 | -174.2 | -79.7 | -68.6 | 0 | 0 | 0 | 113.8 | ||
| 82 | T | 50.9 | Low | 56.6 | Low | 97 Ų | 97 | 104.4 Ų | 104.4 | 60% | 0.595 | 55% | 0.552 | S | S | * | * | trans | 86.7 | 109.1 | 156 | -43.3 | 0 | 0 | 0 | 0 | 118.9 | A84 M85 | T82-A84 HydrophobicContact CG2-CB 4.1Å; T82-A84 PolarHBondContact O-N 3.26Å; T82-A84 VanDerWaalsContact O-N 3.11Å; T82-M85 PolarHBondContact O-N 3.44Å; T82-M85 VanDerWaalsContact O-N 3.07Å | ||
| 83 | D | 57.8 | Low | 57.3 | Low | 142 Ų | 142 | 102.2 Ų | 102.2 | 76% | 0.759 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -54.3 | -28.1 | 175.5 | -59.5 | -79.8 | 0 | 0 | 0 | 115.3 | N87 | D83-N87 PolarHBondContact O-ND2 2.91Å |
| 84 | A | 56.9 | Low | 58.3 | Low | 75 Ų | 75 | 103 Ų | 103 | 62% | 0.62 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -72.5 | -32.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | T82 | T82-A84 HydrophobicContact CG2-CB 4.1Å; T82-A84 PolarHBondContact O-N 3.26Å; T82-A84 VanDerWaalsContact O-N 3.11Å |
| 85 | M | 53.4 | Low | 59.7 | Low | 113 Ų | 113 | 107.8 Ų | 107.8 | 56% | 0.557 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -78.4 | -32.3 | -179.5 | -170.2 | 68.7 | 92.2 | 0 | 0 | 111.6 | L78 T82 A88 C89 | L78-M85 HydrophobicContact CD2-CB 4.15Å; L78-M85 HydrophobicContact CD2-CG 3.35Å; T82-M85 PolarHBondContact O-N 3.44Å; T82-M85 VanDerWaalsContact O-N 3.07Å; M85-A88 PolarHBondContact O-N 2.92Å; M85-C89 VanDerWaalsContact O-CB 3.31Å; M85-C89 WeakPolarHBondContact O-CB 3.15Å; M85-C89 PolarHBondContact O-N 2.68Å |
| 86 | S | 60.5 | Low | 60.9 | Low | 69 Ų | 69 | 108.6 Ų | 108.6 | 48% | 0.483 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.2 | -41.6 | 177.1 | -167.4 | 0 | 0 | 0 | 0 | 112.4 | C89 K90 | S86-C89 PolarHBondContact O-N 2.65Å; S86-K90 VanDerWaalsContact O-CB 3.3Å; S86-K90 WeakPolarHBondContact O-CB 3.23Å; S86-K90 PolarHBondContact O-N 3.38Å |
| 87 | N | 63.2 | Low | 61.9 | Low | 106 Ų | 106 | 101.7 Ų | 101.7 | 57% | 0.567 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.6 | -44.3 | 176.5 | -72.6 | -56.1 | 0 | 0 | 0 | 112.2 | D83 K90 E91 | D83-N87 PolarHBondContact O-ND2 2.91Å; N87-K90 PolarHBondContact O-N 2.97Å; N87-E91 WeakPolarHBondContact O-CG 3.14Å; N87-E91 PolarHBondContact O-N 3.1Å |
| 88 | A | 66.3 | Low | 63.5 | Low | 55 Ų | 55 | 95 Ų | 95 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M85 E91 L92 | M85-A88 PolarHBondContact O-N 2.92Å; A88-E91 PolarHBondContact O-N 2.92Å; A88-L92 WeakPolarHBondContact O-CB 3.48Å; A88-L92 PolarHBondContact O-N 3.24Å |
| 89 | C | 64.1 | Low | 65.1 | Low | 24 Ų | 24 | 94.1 Ų | 94.1 | 16% | 0.162 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 177.2 | -170.8 | 0 | 0 | 0 | 0 | 112.1 | I74 M85 S86 A93 | I74-C89 VanDerWaalsContact CG2-SG 3.54Å; M85-C89 VanDerWaalsContact O-CB 3.31Å; M85-C89 WeakPolarHBondContact O-CB 3.15Å; M85-C89 PolarHBondContact O-N 2.68Å; S86-C89 PolarHBondContact O-N 2.65Å; C89-A93 VanDerWaalsContact O-CB 3.27Å; C89-A93 WeakPolarHBondContact O-CB 3.32Å; C89-A93 PolarHBondContact O-N 2.99Å |
| 90 | K | 64.4 | Low | 66.5 | Low | 137 Ų | 137 | 89.3 Ų | 89.3 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.2 | -46.3 | 174.5 | -177.9 | 177.3 | 176.2 | 179.1 | 0 | 111.4 | S86 N87 A93 I94 | S86-K90 VanDerWaalsContact O-CB 3.3Å; S86-K90 WeakPolarHBondContact O-CB 3.23Å; S86-K90 PolarHBondContact O-N 3.38Å; N87-K90 PolarHBondContact O-N 2.97Å; K90-A93 PolarHBondContact O-N 3.41Å; K90-I94 HydrophobicContact CG-CD1 4.13Å; K90-I94 VanDerWaalsContact O-CG1 3.29Å; K90-I94 WeakPolarHBondContact O-CG1 3.24Å; K90-I94 PolarHBondContact O-N 3.32Å |
| 91 | E | 74.4 | Confident | 68 | Low | 144 Ų | 144 | 84.3 Ų | 84.3 | 67% | 0.673 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 176.6 | -68.9 | -152 | 155.5 | 0 | 0 | 112.3 | N87 A88 I94 F95 | N87-E91 WeakPolarHBondContact O-CG 3.14Å; N87-E91 PolarHBondContact O-N 3.1Å; A88-E91 PolarHBondContact O-N 2.92Å; E91-I94 PolarHBondContact O-N 2.72Å; E91-F95 WeakPolarHBondContact O-CB 3.12Å; E91-F95 PolarHBondContact O-N 2.94Å |
| 92 | L | 71.1 | Confident | 69.8 | Low | 111 Ų | 111 | 83.3 Ų | 83.3 | 58% | 0.581 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 175.8 | -156.9 | 177.8 | 0 | 0 | 0 | 111.1 | A88 I94 F95 L96 | A88-L92 WeakPolarHBondContact O-CB 3.48Å; A88-L92 PolarHBondContact O-N 3.24Å; L92-I94 PolarHBondContact O-N 3.48Å; L92-F95 WeakPolarHBondContact O-CB 3.48Å; L92-F95 PolarHBondContact O-N 3.31Å; L92-L96 HydrophobicContact CD2-CB 4.41Å; L92-L96 HydrophobicContact CD2-CD1 4.42Å; L92-L96 WeakPolarHBondContact O-CB 3.4Å; L92-L96 PolarHBondContact O-N 2.93Å |
| 93 | A | 69.9 | Low | 71.2 | Confident | 25 Ų | 25 | 82 Ų | 82 | 21% | 0.207 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | P71 C89 K90 F95 L96 T97 | P71-A93 HydrophobicContact CB-CB 3.98Å; C89-A93 VanDerWaalsContact O-CB 3.27Å; C89-A93 WeakPolarHBondContact O-CB 3.32Å; C89-A93 PolarHBondContact O-N 2.99Å; K90-A93 PolarHBondContact O-N 3.41Å; A93-F95 PolarHBondContact O-N 3.4Å; A93-L96 PolarHBondContact O-N 3.31Å; A93-T97 WeakPolarHBondContact O-CB 3.34Å; A93-T97 PolarHBondContact O-N 3.05Å; A93-T97 PolarHBondContact O-OG1 2.9Å |
| 94 | I | 75.1 | Confident | 72 | Confident | 98 Ų | 98 | 75.2 Ų | 75.2 | 50% | 0.503 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.7 | -66.3 | 164.4 | 0 | 0 | 0 | 110.5 | K90 E91 L92 L96 T97 T98 | K90-I94 HydrophobicContact CG-CD1 4.13Å; K90-I94 VanDerWaalsContact O-CG1 3.29Å; K90-I94 WeakPolarHBondContact O-CG1 3.24Å; K90-I94 PolarHBondContact O-N 3.32Å; E91-I94 PolarHBondContact O-N 2.72Å; L92-I94 PolarHBondContact O-N 3.48Å; I94-L96 VanDerWaalsContact C-N 3.35Å; I94-L96 PolarHBondContact O-N 3.21Å; I94-T97 PolarHBondContact O-N 2.84Å; I94-T98 WeakPolarHBondContact O-CB 3.16Å; I94-T98 PolarHBondContact O-N 3.17Å; I94-T98 PolarHBondContact O-OG1 3.49Å |
| 95 | F | 81.6 | Confident | 73.2 | Confident | 168 Ų | 168 | 74.4 Ų | 74.4 | 74% | 0.737 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -58.9 | -46.2 | 176.5 | -117.8 | -84.9 | 0 | 0 | 0 | 112.1 | E91 L92 A93 T98 G99 | E91-F95 WeakPolarHBondContact O-CB 3.12Å; E91-F95 PolarHBondContact O-N 2.94Å; L92-F95 WeakPolarHBondContact O-CB 3.48Å; L92-F95 PolarHBondContact O-N 3.31Å; A93-F95 PolarHBondContact O-N 3.4Å; F95-T98 PolarHBondContact O-N 2.93Å; F95-G99 PolarHBondContact O-N 2.96Å |
| 96 | L | 75.6 | Confident | 74.4 | Confident | 68 Ų | 68 | 70.4 Ų | 70.4 | 36% | 0.356 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.9 | -45.5 | -178.1 | -164.9 | 113.6 | 0 | 0 | 0 | 111.3 | L92 A93 I94 T98 G99 I100 | L92-L96 HydrophobicContact CD2-CB 4.41Å; L92-L96 HydrophobicContact CD2-CD1 4.42Å; L92-L96 WeakPolarHBondContact O-CB 3.4Å; L92-L96 PolarHBondContact O-N 2.93Å; A93-L96 PolarHBondContact O-N 3.31Å; I94-L96 VanDerWaalsContact C-N 3.35Å; I94-L96 PolarHBondContact O-N 3.21Å; L96-T98 VanDerWaalsContact C-N 3.29Å; L96-T98 PolarHBondContact O-N 3.43Å; L96-G99 PolarHBondContact O-N 2.97Å; L96-I100 HydrophobicContact CD2-CD1 3.64Å; L96-I100 HydrophobicContact CG-CD1 4.12Å; L96-I100 VanDerWaalsContact O-CG1 3.22Å; L96-I100 WeakPolarHBondContact O-CG1 3.3Å; L96-I100 PolarHBondContact O-N 2.93Å |
| 97 | T | 73.3 | Confident | 74.9 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 33% | 0.331 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 175.4 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | A93 I94 I100 V101 | A93-T97 WeakPolarHBondContact O-CB 3.34Å; A93-T97 PolarHBondContact O-N 3.05Å; A93-T97 PolarHBondContact O-OG1 2.9Å; I94-T97 PolarHBondContact O-N 2.84Å; T97-I100 PolarHBondContact O-N 3.36Å; T97-V101 VanDerWaalsContact O-CG2 3.22Å; T97-V101 WeakPolarHBondContact O-CG2 3.2Å; T97-V101 PolarHBondContact O-N 3.49Å |
| 98 | T | 81.5 | Confident | 75.2 | Confident | 79 Ų | 79 | 64.4 Ų | 64.4 | 49% | 0.485 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 178.9 | -42 | 0 | 0 | 0 | 0 | 111.6 | I94 F95 L96 I100 V101 V102 | I94-T98 WeakPolarHBondContact O-CB 3.16Å; I94-T98 PolarHBondContact O-N 3.17Å; I94-T98 PolarHBondContact O-OG1 3.49Å; F95-T98 PolarHBondContact O-N 2.93Å; L96-T98 VanDerWaalsContact C-N 3.29Å; L96-T98 PolarHBondContact O-N 3.43Å; T98-I100 VanDerWaalsContact C-N 3.35Å; T98-I100 PolarHBondContact O-N 3.36Å; T98-V101 PolarHBondContact O-N 3.29Å; T98-V102 WeakPolarHBondContact O-CB 3.46Å; T98-V102 VanDerWaalsContact O-CG2 3.31Å; T98-V102 WeakPolarHBondContact O-CG2 3.15Å; T98-V102 PolarHBondContact O-N 3.22Å |
| 99 | G | 81.9 | Confident | 75.6 | Confident | 35 Ų | 35 | 66.4 Ų | 66.4 | 36% | 0.361 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F95 L96 S103 | F95-G99 PolarHBondContact O-N 2.96Å; L96-G99 PolarHBondContact O-N 2.97Å; G99-S103 VanDerWaalsContact O-CB 3.28Å; G99-S103 WeakPolarHBondContact O-CB 3.15Å; G99-S103 PolarHBondContact O-N 3.25Å; G99-S103 PolarHBondContact O-OG 3.47Å |
| 100 | I | 78.1 | Confident | 76.1 | Confident | 13 Ų | 13 | 70 Ų | 70 | 7% | 0.067 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 175.1 | -67.4 | 166 | 0 | 0 | 0 | 110.6 | F64 L96 T97 T98 S103 A104 F133 | F64-I100 HydrophobicContact CB-CG1 4.37Å; F64-I100 HydrophobicContact CD1-CG1 4.34Å; L96-I100 HydrophobicContact CD2-CD1 3.64Å; L96-I100 HydrophobicContact CG-CD1 4.12Å; L96-I100 VanDerWaalsContact O-CG1 3.22Å; L96-I100 WeakPolarHBondContact O-CG1 3.3Å; L96-I100 PolarHBondContact O-N 2.93Å; T97-I100 PolarHBondContact O-N 3.36Å; T98-I100 VanDerWaalsContact C-N 3.35Å; T98-I100 PolarHBondContact O-N 3.36Å; I100-S103 PolarHBondContact O-N 3.25Å; I100-A104 VanDerWaalsContact O-CB 3.3Å; I100-A104 WeakPolarHBondContact O-CB 3.43Å; I100-A104 PolarHBondContact O-N 3.26Å; I100-F133 HydrophobicContact CG2-CE1 4.06Å; I100-F133 HydrophobicContact CG2-CZ 4.08Å |
| 101 | V | 81.3 | Confident | 76.2 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 24% | 0.236 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60 | -49.9 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 111 | T97 T98 S103 A104 F105 F133 | T97-V101 VanDerWaalsContact O-CG2 3.22Å; T97-V101 WeakPolarHBondContact O-CG2 3.2Å; T97-V101 PolarHBondContact O-N 3.49Å; T98-V101 PolarHBondContact O-N 3.29Å; V101-S103 VanDerWaalsContact C-N 3.31Å; V101-S103 PolarHBondContact O-N 3.14Å; V101-A104 PolarHBondContact O-N 3.47Å; V101-F105 HydrophobicContact CG1-CD2 3.66Å; V101-F105 HydrophobicContact CG1-CE2 3.51Å; V101-F105 WeakPolarHBondContact O-CD2 3.23Å; V101-F105 PolarHBondContact O-N 3.47Å; V101-F105 VanDerWaalsContact O-N 3.08Å; V101-F133 HydrophobicContact CB-CE1 4.33Å; V101-F133 HydrophobicContact CB-CE2 4.38Å; V101-F133 HydrophobicContact CB-CZ 4.1Å; V101-F133 HydrophobicContact CG1-CE2 4.48Å; V101-F133 HydrophobicContact CG2-CD1 3.64Å; V101-F133 HydrophobicContact CG2-CD2 4.23Å; V101-F133 HydrophobicContact CG2-CE1 3.36Å; V101-F133 HydrophobicContact CG2-CE2 4.01Å; V101-F133 HydrophobicContact CG2-CG 4.09Å; V101-F133 HydrophobicContact CG2-CZ 3.59Å |
| 102 | V | 84.9 | Confident | 75.9 | Confident | 97 Ų | 97 | 59.1 Ų | 59.1 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.4 | -41 | 178.2 | 171 | 0 | 0 | 0 | 0 | 111 | T98 F105 G106 | T98-V102 WeakPolarHBondContact O-CB 3.46Å; T98-V102 VanDerWaalsContact O-CG2 3.31Å; T98-V102 WeakPolarHBondContact O-CG2 3.15Å; T98-V102 PolarHBondContact O-N 3.22Å; V102-F105 PolarHBondContact O-N 3.17Å; V102-G106 PolarHBondContact O-N 3.06Å |
| 103 | S | 79.8 | Confident | 75.7 | Confident | 69 Ų | 69 | 64.6 Ų | 64.6 | 48% | 0.483 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | 177.3 | -59.7 | 0 | 0 | 0 | 0 | 112 | G99 I100 V101 F105 L107 | G99-S103 VanDerWaalsContact O-CB 3.28Å; G99-S103 WeakPolarHBondContact O-CB 3.15Å; G99-S103 PolarHBondContact O-N 3.25Å; G99-S103 PolarHBondContact O-OG 3.47Å; I100-S103 PolarHBondContact O-N 3.25Å; V101-S103 VanDerWaalsContact C-N 3.31Å; V101-S103 PolarHBondContact O-N 3.14Å; S103-F105 VanDerWaalsContact C-N 3.29Å; S103-F105 PolarHBondContact O-N 3.08Å; S103-L107 WeakPolarHBondContact O-CB 3.34Å; S103-L107 PolarHBondContact O-N 2.76Å |
| 104 | A | 75.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.9 | -29.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V61 I100 V101 P108 N129 F133 | V61-A104 HydrophobicContact CG1-CB 3.69Å; I100-A104 VanDerWaalsContact O-CB 3.3Å; I100-A104 WeakPolarHBondContact O-CB 3.43Å; I100-A104 PolarHBondContact O-N 3.26Å; V101-A104 PolarHBondContact O-N 3.47Å; A104-P108 WeakPolarHBondContact O-CD 3.38Å; A104-P108 VanDerWaalsContact O-CG 3.24Å; A104-P108 WeakPolarHBondContact O-CG 3.3Å; A104-N129 PolarHBondContact O-ND2 3.24Å; A104-F133 HydrophobicContact CB-CE2 3.75Å; A104-F133 HydrophobicContact CB-CZ 3.8Å |
| 105 | F | 80.4 | Confident | 74.8 | Confident | 58 Ų | 58 | 69.4 Ų | 69.4 | 25% | 0.254 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -90.1 | -36.5 | 175.3 | -70.5 | -57.5 | 0 | 0 | 0 | 113.4 | V101 V102 S103 L107 P108 I109 L126 N129 | V101-F105 HydrophobicContact CG1-CD2 3.66Å; V101-F105 HydrophobicContact CG1-CE2 3.51Å; V101-F105 WeakPolarHBondContact O-CD2 3.23Å; V101-F105 PolarHBondContact O-N 3.47Å; V101-F105 VanDerWaalsContact O-N 3.08Å; V102-F105 PolarHBondContact O-N 3.17Å; S103-F105 VanDerWaalsContact C-N 3.29Å; S103-F105 PolarHBondContact O-N 3.08Å; F105-L107 PolarHBondContact O-N 3.07Å; F105-P108 WeakPolarHBondContact O-CD 3.48Å; F105-P108 WeakPolarHBondContact O-CG 3.12Å; F105-I109 VanDerWaalsContact O-CD1 3.28Å; F105-I109 WeakPolarHBondContact O-CD1 3.29Å; F105-I109 VanDerWaalsContact O-CG1 3.25Å; F105-I109 WeakPolarHBondContact O-CG1 3.49Å; F105-I109 PolarHBondContact O-N 3.13Å; F105-L126 HydrophobicContact CD1-CD1 3.46Å; F105-L126 VanDerWaalsContact CD1-CD1 3.46Å; F105-L126 HydrophobicContact CD1-CG 3.98Å; F105-L126 HydrophobicContact CE1-CD1 3.9Å; F105-L126 HydrophobicContact CE1-CG 3.86Å; F105-N129 HydrophobicContact CE1-CB 4.46Å |
| 106 | G | 78.6 | Confident | 73.6 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 31% | 0.309 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | V102 I109 V110 | V102-G106 PolarHBondContact O-N 3.06Å; G106-I109 PolarHBondContact O-N 3.31Å; G106-V110 VanDerWaalsContact O-CG2 3.26Å; G106-V110 WeakPolarHBondContact O-CG2 3.46Å; G106-V110 PolarHBondContact O-N 3.3Å |
| 107 | L | 71.6 | Confident | 72.9 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 19% | 0.194 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65 | -49 | -176.3 | -146.2 | 150.7 | 0 | 0 | 0 | 113.8 | W57 V61 S103 F105 I109 V110 F111 | W57-L107 HydrophobicContact CB-CD2 4.34Å; W57-L107 HydrophobicContact CE3-CD1 3.88Å; W57-L107 HydrophobicContact CE3-CD2 3.97Å; W57-L107 HydrophobicContact CE3-CG 4.19Å; W57-L107 HydrophobicContact CZ3-CD1 4.18Å; V61-L107 HydrophobicContact CG2-CD1 4.45Å; S103-L107 WeakPolarHBondContact O-CB 3.34Å; S103-L107 PolarHBondContact O-N 2.76Å; F105-L107 PolarHBondContact O-N 3.07Å; L107-I109 VanDerWaalsContact C-N 3.34Å; L107-I109 PolarHBondContact O-N 2.98Å; L107-V110 PolarHBondContact O-N 2.76Å; L107-F111 HydrophobicContact CD2-CD2 3.7Å; L107-F111 HydrophobicContact CD2-CE2 3.36Å; L107-F111 HydrophobicContact CD2-CZ 4.36Å; L107-F111 PolarHBondContact O-N 2.87Å |
| 108 | P | 69.3 | Low | 72.9 | Confident | 12 Ų | 12 | 67.3 Ų | 67.3 | 8% | 0.078 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.6 | -34.1 | 173.5 | 20.8 | -29.2 | 0 | 0 | 0 | 113.1 | A104 F105 F111 A112 V125 | A104-P108 WeakPolarHBondContact O-CD 3.38Å; A104-P108 VanDerWaalsContact O-CG 3.24Å; A104-P108 WeakPolarHBondContact O-CG 3.3Å; F105-P108 WeakPolarHBondContact O-CD 3.48Å; F105-P108 WeakPolarHBondContact O-CG 3.12Å; P108-F111 PolarHBondContact O-N 3.22Å; P108-A112 PolarHBondContact O-N 3.44Å; P108-V125 HydrophobicContact CB-CG1 4.3Å; P108-V125 HydrophobicContact CG-CG1 4.48Å |
| 109 | I | 74.7 | Confident | 72.5 | Confident | 96 Ų | 96 | 73.2 Ų | 73.2 | 49% | 0.492 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 176.8 | -70.7 | 169 | 0 | 0 | 0 | 111.6 | F105 G106 L107 F111 A112 R113 | F105-I109 VanDerWaalsContact O-CD1 3.28Å; F105-I109 WeakPolarHBondContact O-CD1 3.29Å; F105-I109 VanDerWaalsContact O-CG1 3.25Å; F105-I109 WeakPolarHBondContact O-CG1 3.49Å; F105-I109 PolarHBondContact O-N 3.13Å; G106-I109 PolarHBondContact O-N 3.31Å; L107-I109 VanDerWaalsContact C-N 3.34Å; L107-I109 PolarHBondContact O-N 2.98Å; I109-F111 VanDerWaalsContact C-N 3.34Å; I109-A112 PolarHBondContact O-N 3.33Å; I109-R113 PolarHBondContact O-N 3.42Å |
| 110 | V | 75.7 | Confident | 72.4 | Confident | 99 Ų | 99 | 74 Ų | 74 | 60% | 0.6 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.5 | -37.5 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 111 | G106 L107 R113 A114 | G106-V110 VanDerWaalsContact O-CG2 3.26Å; G106-V110 WeakPolarHBondContact O-CG2 3.46Å; G106-V110 PolarHBondContact O-N 3.3Å; L107-V110 PolarHBondContact O-N 2.76Å; V110-R113 PolarHBondContact O-N 3.49Å; V110-A114 PolarHBondContact O-N 3.37Å; V110-A114 VanDerWaalsContact O-N 3.12Å |
| 111 | F | 66.4 | Low | 72.3 | Confident | 41 Ų | 41 | 74.2 Ų | 74.2 | 18% | 0.18 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69 | -37.3 | 175.8 | -82.2 | -45.7 | 0 | 0 | 0 | 113.9 | W57 L107 P108 I109 R113 A114 L116 I117 | W57-F111 HydrophobicContact CB-CE2 3.89Å; W57-F111 HydrophobicContact CB-CZ 4.02Å; W57-F111 HydrophobicContact CD2-CZ 4.34Å; W57-F111 HydrophobicContact CG-CE2 4.42Å; W57-F111 HydrophobicContact CG-CZ 4.11Å; L107-F111 HydrophobicContact CD2-CD2 3.7Å; L107-F111 HydrophobicContact CD2-CE2 3.36Å; L107-F111 HydrophobicContact CD2-CZ 4.36Å; L107-F111 PolarHBondContact O-N 2.87Å; P108-F111 PolarHBondContact O-N 3.22Å; I109-F111 VanDerWaalsContact C-N 3.34Å; F111-R113 VanDerWaalsContact C-N 3.27Å; F111-R113 PolarHBondContact O-N 2.89Å; F111-A114 PolarHBondContact O-N 3.32Å; F111-A114 VanDerWaalsContact O-N 3.12Å; F111-L116 HydrophobicContact CD1-CB 4.3Å; F111-L116 HydrophobicContact CD1-CD1 3.51Å; F111-L116 HydrophobicContact CE1-CD1 3.79Å; F111-L116 PolarHBondContact O-N 3.24Å; F111-I117 HydrophobicContact CB-CD1 4.25Å |
| 112 | A | 67.4 | Low | 72 | Confident | 12 Ų | 12 | 73 Ų | 73 | 10% | 0.099 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.5 | -40 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P108 I109 A114 H115 | P108-A112 PolarHBondContact O-N 3.44Å; I109-A112 PolarHBondContact O-N 3.33Å; A112-A114 VanDerWaalsContact C-N 3.33Å; A112-A114 PolarHBondContact O-N 2.86Å; A112-H115 PolarHBondContact O-N 3.49Å |
| 113 | R | 66.9 | Low | 72 | Confident | 226 Ų | 226 | 70.9 Ų | 70.9 | 85% | 0.853 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -68.6 | -27 | 174.7 | -92.9 | -109.8 | -85.4 | -117.8 | -7.7 | 114.3 | I109 V110 F111 H115 | I109-R113 PolarHBondContact O-N 3.42Å; V110-R113 PolarHBondContact O-N 3.49Å; F111-R113 VanDerWaalsContact C-N 3.27Å; F111-R113 PolarHBondContact O-N 2.89Å; R113-H115 PolarHBondContact O-N 3.44Å |
| 114 | A | 67.7 | Low | 72.2 | Confident | 56 Ų | 56 | 70 Ų | 70 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 5.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V110 F111 A112 L116 | V110-A114 PolarHBondContact O-N 3.37Å; V110-A114 VanDerWaalsContact O-N 3.12Å; F111-A114 PolarHBondContact O-N 3.32Å; F111-A114 VanDerWaalsContact O-N 3.12Å; A112-A114 VanDerWaalsContact C-N 3.33Å; A112-A114 PolarHBondContact O-N 2.86Å; A114-L116 HydrophobicContact CB-CB 4.41Å; A114-L116 HydrophobicContact CB-CD1 3.67Å; A114-L116 HydrophobicContact CB-CG 3.82Å; A114-L116 PolarHBondContact O-N 3.45Å; A114-L116 VanDerWaalsContact O-N 3.11Å |
| 115 | H | 58.1 | Low | 72.5 | Confident | 168 Ų | 168 | 70.7 Ų | 70.7 | 78% | 0.778 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 21 | -173.7 | -108.7 | -90.5 | 0 | 0 | 0 | 113.5 | A112 R113 | A112-H115 PolarHBondContact O-N 3.49Å; R113-H115 PolarHBondContact O-N 3.44Å |
| 116 | L | 56.6 | Low | 72.7 | Confident | 61 Ų | 61 | 71 Ų | 71 | 32% | 0.319 | 38% | 0.377 | S | S | . | . | trans | -87.6 | -2.3 | -177.6 | -69.2 | 170.4 | 0 | 0 | 0 | 112.1 | Y53 F111 A114 | Y53-L116 HydrophobicContact CD1-CB 4.13Å; Y53-L116 HydrophobicContact CD1-CD2 4.03Å; Y53-L116 WeakPolarHBondContact CD1-O 3.45Å; Y53-L116 WeakPolarHBondContact CD2-O 3.5Å; Y53-L116 HydrophobicContact CE1-CB 3.68Å; Y53-L116 HydrophobicContact CE1-CD2 3.36Å; Y53-L116 HydrophobicContact CE1-CG 4.1Å; Y53-L116 WeakPolarHBondContact CE1-O 3.45Å; Y53-L116 WeakPolarHBondContact CE2-O 3.41Å; Y53-L116 VanDerWaalsContact OH-C 3.31Å; Y53-L116 VanDerWaalsContact OH-CA 3.3Å; Y53-L116 WeakPolarHBondContact OH-CA 3.22Å; Y53-L116 PolarHBondContact OH-O 3.04Å; F111-L116 HydrophobicContact CD1-CB 4.3Å; F111-L116 HydrophobicContact CD1-CD1 3.51Å; F111-L116 HydrophobicContact CE1-CD1 3.79Å; F111-L116 PolarHBondContact O-N 3.24Å; A114-L116 HydrophobicContact CB-CB 4.41Å; A114-L116 HydrophobicContact CB-CD1 3.67Å; A114-L116 HydrophobicContact CB-CG 3.82Å; A114-L116 PolarHBondContact O-N 3.45Å; A114-L116 VanDerWaalsContact O-N 3.11Å | ||
| 117 | I | 61.9 | Low | 73.2 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 23% | 0.226 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -150.7 | 135.9 | -179.2 | -67.5 | -175 | 0 | 0 | 0 | 109 | F111 A121 C122 | F111-I117 HydrophobicContact CB-CD1 4.25Å; I117-A121 HydrophobicContact CG2-CB 3.53Å; I117-C122 HydrophobicContact CG2-CB 4.27Å |
| 118 | E | 71.9 | Confident | 73.9 | Confident | 142 Ų | 142 | 71.4 Ų | 71.4 | 66% | 0.664 | 38% | 0.375 | S | S | * | . | trans | -59.9 | 138.4 | 168.6 | -78.9 | -66.2 | 144.8 | 0 | 0 | 110.9 | G120 A121 C122 | E118-G120 PolarHBondContact O-N 2.93Å; E118-A121 PolarHBondContact O-N 3.39Å; E118-C122 PolarHBondContact O-N 2.98Å | ||
| 119 | W | 74.7 | Confident | 74.7 | Confident | 203 Ų | 203 | 71.6 Ų | 71.6 | 77% | 0.769 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -51.6 | -31.2 | -177.8 | -75.1 | 93.6 | 0 | 0 | 0 | 113.4 | C122 A123 | W119-C122 PolarHBondContact O-N 2.87Å; W119-A123 PolarHBondContact O-N 3.3Å; W119-A123 VanDerWaalsContact O-N 3.12Å |
| 120 | G | 77.8 | Confident | 75.3 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 54% | 0.536 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E118 C122 A123 L124 | E118-G120 PolarHBondContact O-N 2.93Å; G120-C122 VanDerWaalsContact C-N 3.32Å; G120-A123 PolarHBondContact O-N 3.42Å; G120-L124 PolarHBondContact O-N 3.33Å; G120-L124 VanDerWaalsContact O-N 3.11Å |
| 121 | A | 76.1 | Confident | 75.9 | Confident | 17 Ų | 17 | 67.7 Ų | 67.7 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.8 | -33.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I117 E118 L124 V125 | I117-A121 HydrophobicContact CG2-CB 3.53Å; E118-A121 PolarHBondContact O-N 3.39Å; A121-L124 PolarHBondContact O-N 3.03Å; A121-V125 WeakPolarHBondContact O-CG2 3.25Å; A121-V125 PolarHBondContact O-N 2.73Å; A121-V125 VanDerWaalsContact O-N 3.1Å |
| 122 | C | 76.8 | Confident | 76.8 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 9% | 0.088 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 173.3 | -163.6 | 0 | 0 | 0 | 0 | 111.8 | I117 E118 W119 G120 V125 L126 | I117-C122 HydrophobicContact CG2-CB 4.27Å; E118-C122 PolarHBondContact O-N 2.98Å; W119-C122 PolarHBondContact O-N 2.87Å; G120-C122 VanDerWaalsContact C-N 3.32Å; C122-V125 PolarHBondContact O-N 3.14Å; C122-L126 WeakPolarHBondContact O-CB 3.49Å; C122-L126 PolarHBondContact O-N 3.26Å |
| 123 | A | 84.4 | Confident | 77.6 | Confident | 53 Ų | 53 | 67.3 Ų | 67.3 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W119 G120 L126 T127 | W119-A123 PolarHBondContact O-N 3.3Å; W119-A123 VanDerWaalsContact O-N 3.12Å; G120-A123 PolarHBondContact O-N 3.42Å; A123-L126 PolarHBondContact O-N 2.79Å; A123-T127 WeakPolarHBondContact O-CB 3.29Å; A123-T127 PolarHBondContact O-N 3.12Å; A123-T127 PolarHBondContact O-OG1 3.25Å |
| 124 | L | 83.9 | Confident | 78.5 | Confident | 51 Ų | 51 | 59.4 Ų | 59.4 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 178 | -148.2 | 88.9 | 0 | 0 | 0 | 111.7 | F43 L46 G120 A121 T127 G128 | F43-L124 HydrophobicContact CB-CG 4.42Å; F43-L124 HydrophobicContact CD1-CD1 3.74Å; F43-L124 HydrophobicContact CD1-CD2 4.03Å; F43-L124 HydrophobicContact CD1-CG 3.69Å; F43-L124 HydrophobicContact CE1-CD1 4.02Å; F43-L124 HydrophobicContact CE1-CG 4.47Å; F43-L124 HydrophobicContact CG-CG 4.49Å; F43-L124 VanDerWaalsContact O-CD2 3.31Å; F43-L124 WeakPolarHBondContact O-CD2 3.1Å; L46-L124 HydrophobicContact CB-CD2 3.56Å; G120-L124 PolarHBondContact O-N 3.33Å; G120-L124 VanDerWaalsContact O-N 3.11Å; A121-L124 PolarHBondContact O-N 3.03Å; L124-T127 PolarHBondContact O-N 3.18Å; L124-G128 PolarHBondContact O-N 2.87Å |
| 125 | V | 80.8 | Confident | 79.2 | Confident | 13 Ų | 13 | 58 Ų | 58 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68 | -42 | 176.7 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | L44 P108 A121 C122 T127 G128 N129 | L44-V125 HydrophobicContact CD1-CG1 3.94Å; P108-V125 HydrophobicContact CB-CG1 4.3Å; P108-V125 HydrophobicContact CG-CG1 4.48Å; A121-V125 WeakPolarHBondContact O-CG2 3.25Å; A121-V125 PolarHBondContact O-N 2.73Å; A121-V125 VanDerWaalsContact O-N 3.1Å; C122-V125 PolarHBondContact O-N 3.14Å; V125-T127 VanDerWaalsContact C-N 3.3Å; V125-T127 PolarHBondContact O-N 3.04Å; V125-G128 PolarHBondContact O-N 3.15Å; V125-N129 WeakPolarHBondContact O-CB 3.44Å; V125-N129 PolarHBondContact O-N 3.04Å |
| 126 | L | 85.4 | Confident | 80.2 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 34% | 0.34 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 177 | -156.1 | 91.4 | 0 | 0 | 0 | 111.4 | F105 C122 A123 T130 | F105-L126 HydrophobicContact CD1-CD1 3.46Å; F105-L126 VanDerWaalsContact CD1-CD1 3.46Å; F105-L126 HydrophobicContact CD1-CG 3.98Å; F105-L126 HydrophobicContact CE1-CD1 3.9Å; F105-L126 HydrophobicContact CE1-CG 3.86Å; C122-L126 WeakPolarHBondContact O-CB 3.49Å; C122-L126 PolarHBondContact O-N 3.26Å; A123-L126 PolarHBondContact O-N 2.79Å; L126-T130 PolarHBondContact O-N 3.48Å; L126-T130 VanDerWaalsContact O-N 3.07Å; L126-T130 PolarHBondContact O-OG1 3.37Å |
| 127 | T | 89.6 | Confident | 81.3 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 46% | 0.46 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.8 | -46.8 | 177.8 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | A123 L124 V125 N129 T130 V131 | A123-T127 WeakPolarHBondContact O-CB 3.29Å; A123-T127 PolarHBondContact O-N 3.12Å; A123-T127 PolarHBondContact O-OG1 3.25Å; L124-T127 PolarHBondContact O-N 3.18Å; V125-T127 VanDerWaalsContact C-N 3.3Å; V125-T127 PolarHBondContact O-N 3.04Å; T127-N129 PolarHBondContact O-N 3.4Å; T127-T130 WeakPolarHBondContact O-CB 3.29Å; T127-T130 PolarHBondContact O-N 3.09Å; T127-V131 WeakPolarHBondContact O-CG2 3.27Å; T127-V131 PolarHBondContact O-N 2.7Å |
| 128 | G | 86.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.1 | -51 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L124 V125 T130 V131 I132 | L124-G128 PolarHBondContact O-N 2.87Å; V125-G128 PolarHBondContact O-N 3.15Å; G128-T130 VanDerWaalsContact C-N 3.3Å; G128-T130 PolarHBondContact O-N 3.29Å; G128-V131 PolarHBondContact O-N 2.93Å; G128-V131 VanDerWaalsContact O-N 3.16Å; G128-I132 VanDerWaalsContact O-CG1 3.31Å; G128-I132 WeakPolarHBondContact O-CG1 3.34Å; G128-I132 PolarHBondContact O-N 3.13Å |
| 129 | N | 86.2 | Confident | 82.4 | Confident | 16 Ų | 16 | 50.9 Ų | 50.9 | 9% | 0.086 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.1 | -42.9 | 177.3 | -76.3 | -9.4 | 0 | 0 | 0 | 111.9 | L44 A104 F105 V125 T127 V131 I132 F133 | L44-N129 WeakPolarHBondContact CD1-OD1 3.36Å; A104-N129 PolarHBondContact O-ND2 3.24Å; F105-N129 HydrophobicContact CE1-CB 4.46Å; V125-N129 WeakPolarHBondContact O-CB 3.44Å; V125-N129 PolarHBondContact O-N 3.04Å; T127-N129 PolarHBondContact O-N 3.4Å; N129-V131 PolarHBondContact O-N 3Å; N129-I132 PolarHBondContact O-N 3.16Å; N129-F133 HydrophobicContact CB-CE2 4.45Å; N129-F133 WeakPolarHBondContact O-CD2 3.24Å; N129-F133 PolarHBondContact O-N 3.11Å |
| 130 | T | 86.8 | Confident | 82.3 | Confident | 71 Ų | 71 | 47.2 Ų | 47.2 | 44% | 0.436 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 177.5 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | L126 T127 G128 F133 A134 | L126-T130 PolarHBondContact O-N 3.48Å; L126-T130 VanDerWaalsContact O-N 3.07Å; L126-T130 PolarHBondContact O-OG1 3.37Å; T127-T130 WeakPolarHBondContact O-CB 3.29Å; T127-T130 PolarHBondContact O-N 3.09Å; G128-T130 VanDerWaalsContact C-N 3.3Å; G128-T130 PolarHBondContact O-N 3.29Å; T130-F133 PolarHBondContact O-N 3.18Å; T130-A134 WeakPolarHBondContact O-CB 3.21Å; T130-A134 PolarHBondContact O-N 2.92Å |
| 131 | V | 88.1 | Confident | 82.1 | Confident | 42 Ų | 42 | 50.8 Ų | 50.8 | 26% | 0.255 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 178.9 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | G36 T127 G128 N129 A134 T135 | G36-V131 WeakPolarHBondContact O-CG1 3.3Å; T127-V131 WeakPolarHBondContact O-CG2 3.27Å; T127-V131 PolarHBondContact O-N 2.7Å; G128-V131 PolarHBondContact O-N 2.93Å; G128-V131 VanDerWaalsContact O-N 3.16Å; N129-V131 PolarHBondContact O-N 3Å; V131-A134 PolarHBondContact O-N 3.36Å; V131-T135 WeakPolarHBondContact O-CB 3.47Å; V131-T135 PolarHBondContact O-N 2.87Å; V131-T135 PolarHBondContact O-OG1 3.42Å |
| 132 | I | 85.9 | Confident | 81.8 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68 | -38.8 | 178.6 | -53.3 | 174.3 | 0 | 0 | 0 | 110.2 | L41 Y65 G128 N129 T135 I136 | L41-I132 HydrophobicContact CD2-CD1 4Å; L41-I132 HydrophobicContact CG-CD1 4.42Å; Y65-I132 HydrophobicContact CD1-CG2 4.03Å; Y65-I132 HydrophobicContact CE1-CB 4.36Å; Y65-I132 HydrophobicContact CE1-CG2 3.11Å; Y65-I132 HydrophobicContact CE2-CG2 4.16Å; Y65-I132 VanDerWaalsContact OH-CG2 3.23Å; Y65-I132 WeakPolarHBondContact OH-CG2 3.38Å; Y65-I132 PolarHBondContact OH-O 3.5Å; G128-I132 VanDerWaalsContact O-CG1 3.31Å; G128-I132 WeakPolarHBondContact O-CG1 3.34Å; G128-I132 PolarHBondContact O-N 3.13Å; N129-I132 PolarHBondContact O-N 3.16Å; I132-T135 WeakPolarHBondContact O-CB 3.36Å; I132-T135 PolarHBondContact O-N 2.94Å; I132-I136 PolarHBondContact O-N 3.3Å |
| 133 | F | 83.3 | Confident | 81.2 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 175.4 | -77.3 | -60.2 | 0 | 0 | 0 | 112.3 | Y65 I100 V101 A104 N129 T130 T135 I136 L137 | Y65-F133 AromaticContact CE2-CD1 3.94Å; Y65-F133 HydrophobicContact CE2-CD1 3.94Å; Y65-F133 AromaticContact CE2-CE1 3.61Å; Y65-F133 HydrophobicContact CE2-CE1 3.61Å; Y65-F133 HydrophobicContact CE2-CZ 4.03Å; Y65-F133 WeakPolarHBondContact OH-CA 3.34Å; Y65-F133 WeakPolarHBondContact OH-CD1 3.37Å; Y65-F133 PolarHBondContact OH-N 3.33Å; I100-F133 HydrophobicContact CG2-CE1 4.06Å; I100-F133 HydrophobicContact CG2-CZ 4.08Å; V101-F133 HydrophobicContact CB-CE1 4.33Å; V101-F133 HydrophobicContact CB-CE2 4.38Å; V101-F133 HydrophobicContact CB-CZ 4.1Å; V101-F133 HydrophobicContact CG1-CE2 4.48Å; V101-F133 HydrophobicContact CG2-CD1 3.64Å; V101-F133 HydrophobicContact CG2-CD2 4.23Å; V101-F133 HydrophobicContact CG2-CE1 3.36Å; V101-F133 HydrophobicContact CG2-CE2 4.01Å; V101-F133 HydrophobicContact CG2-CG 4.09Å; V101-F133 HydrophobicContact CG2-CZ 3.59Å; A104-F133 HydrophobicContact CB-CE2 3.75Å; A104-F133 HydrophobicContact CB-CZ 3.8Å; N129-F133 HydrophobicContact CB-CE2 4.45Å; N129-F133 WeakPolarHBondContact O-CD2 3.24Å; N129-F133 PolarHBondContact O-N 3.11Å; T130-F133 PolarHBondContact O-N 3.18Å; F133-T135 PolarHBondContact O-N 3.42Å; F133-I136 PolarHBondContact O-N 3.43Å; F133-L137 PolarHBondContact O-N 3.33Å |
| 134 | A | 86.3 | Confident | 80.1 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 50% | 0.496 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.2 | -36.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T130 V131 L137 G138 | T130-A134 WeakPolarHBondContact O-CB 3.21Å; T130-A134 PolarHBondContact O-N 2.92Å; V131-A134 PolarHBondContact O-N 3.36Å; A134-L137 PolarHBondContact O-N 3.45Å; A134-G138 PolarHBondContact O-N 3.38Å |
| 135 | T | 82.5 | Confident | 78.9 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 15% | 0.153 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 175.4 | -59 | 0 | 0 | 0 | 0 | 111.1 | L33 V131 I132 F133 L137 G138 F139 | L33-T135 HydrophobicContact CD2-CG2 3.39Å; L33-T135 WeakPolarHBondContact CD2-O 3.49Å; L33-T135 HydrophobicContact CG-CG2 3.7Å; L33-T135 WeakPolarHBondContact O-CG2 3.15Å; V131-T135 WeakPolarHBondContact O-CB 3.47Å; V131-T135 PolarHBondContact O-N 2.87Å; V131-T135 PolarHBondContact O-OG1 3.42Å; I132-T135 WeakPolarHBondContact O-CB 3.36Å; I132-T135 PolarHBondContact O-N 2.94Å; F133-T135 PolarHBondContact O-N 3.42Å; T135-L137 PolarHBondContact O-N 3.15Å; T135-G138 PolarHBondContact O-N 3.33Å; T135-F139 PolarHBondContact O-N 2.71Å |
| 136 | I | 79.1 | Confident | 77.6 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.5 | -49.6 | 173.8 | -70.6 | -170.3 | 0 | 0 | 0 | 111.2 | Y65 I132 F133 G138 F139 F140 | Y65-I136 HydrophobicContact CD1-CD1 3.81Å; Y65-I136 HydrophobicContact CE1-CD1 3.08Å; Y65-I136 HydrophobicContact CE1-CG1 3.5Å; Y65-I136 HydrophobicContact CE2-CD1 3.91Å; Y65-I136 HydrophobicContact CG-CD1 4.46Å; Y65-I136 WeakPolarHBondContact OH-CD1 3.43Å; Y65-I136 VanDerWaalsContact OH-CG1 3.32Å; Y65-I136 WeakPolarHBondContact OH-CG1 3.27Å; I132-I136 PolarHBondContact O-N 3.3Å; F133-I136 PolarHBondContact O-N 3.43Å; I136-G138 VanDerWaalsContact C-N 3.3Å; I136-G138 PolarHBondContact O-N 3.26Å; I136-F139 WeakPolarHBondContact O-CB 3.3Å; I136-F139 PolarHBondContact O-N 3.34Å; I136-F139 VanDerWaalsContact O-N 3.17Å; I136-F140 PolarHBondContact O-N 2.97Å |
| 137 | L | 78.9 | Confident | 76.1 | Confident | 118 Ų | 118 | 55.1 Ų | 55.1 | 62% | 0.618 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.7 | -40 | -178.8 | -73.7 | 170.4 | 0 | 0 | 0 | 111.3 | F133 A134 T135 F139 F140 L141 | F133-L137 PolarHBondContact O-N 3.33Å; A134-L137 PolarHBondContact O-N 3.45Å; T135-L137 PolarHBondContact O-N 3.15Å; L137-F139 VanDerWaalsContact C-N 3.33Å; L137-F139 PolarHBondContact O-N 3.34Å; L137-F140 PolarHBondContact O-N 3.38Å; L137-L141 VanDerWaalsContact O-CB 3.29Å; L137-L141 WeakPolarHBondContact O-CB 3.45Å; L137-L141 PolarHBondContact O-N 3.42Å |
| 138 | G | 81.1 | Confident | 74.5 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 24% | 0.237 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.5 | -39 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A134 T135 I136 V142 | A134-G138 PolarHBondContact O-N 3.38Å; T135-G138 PolarHBondContact O-N 3.33Å; I136-G138 VanDerWaalsContact C-N 3.3Å; I136-G138 PolarHBondContact O-N 3.26Å; G138-V142 VanDerWaalsContact O-CB 3.29Å; G138-V142 WeakPolarHBondContact O-CB 2.82Å; G138-V142 VanDerWaalsContact O-CG2 3.26Å; G138-V142 WeakPolarHBondContact O-CG2 3.24Å; G138-V142 PolarHBondContact O-N 2.63Å |
| 139 | F | 75.6 | Confident | 72.7 | Confident | 74 Ų | 74 | 64.8 Ų | 64.8 | 33% | 0.325 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62 | -51.2 | 173.7 | -175.2 | -91 | 0 | 0 | 0 | 109.6 | L30 L33 Y72 T135 I136 L137 L141 V142 F143 | L30-F139 HydrophobicContact CD2-CE2 4.39Å; L33-F139 HydrophobicContact CD1-CB 4.4Å; L33-F139 VanDerWaalsContact CD1-N 3.32Å; L33-F139 HydrophobicContact CD2-CB 3.81Å; L33-F139 HydrophobicContact CD2-CD2 4.18Å; Y72-F139 HydrophobicContact CE2-CE1 4.47Å; T135-F139 PolarHBondContact O-N 2.71Å; I136-F139 WeakPolarHBondContact O-CB 3.3Å; I136-F139 PolarHBondContact O-N 3.34Å; I136-F139 VanDerWaalsContact O-N 3.17Å; L137-F139 VanDerWaalsContact C-N 3.33Å; L137-F139 PolarHBondContact O-N 3.34Å; F139-L141 VanDerWaalsContact C-N 3.33Å; F139-L141 PolarHBondContact O-N 2.92Å; F139-V142 PolarHBondContact O-N 2.93Å; F139-F143 AromaticContact CD1-CD2 3.69Å; F139-F143 HydrophobicContact CD1-CD2 3.69Å; F139-F143 HydrophobicContact CD1-CE2 4.19Å; F139-F143 AromaticContact CD2-CD2 3.72Å; F139-F143 HydrophobicContact CD2-CD2 3.72Å; F139-F143 AromaticContact CD2-CE2 3.41Å; F139-F143 HydrophobicContact CD2-CE2 3.41Å; F139-F143 VanDerWaalsContact CD2-CE2 3.41Å; F139-F143 AromaticContact CE1-CD2 3.51Å; F139-F143 HydrophobicContact CE1-CD2 3.51Å; F139-F143 AromaticContact CE1-CE2 3.84Å; F139-F143 HydrophobicContact CE1-CE2 3.84Å; F139-F143 HydrophobicContact CE1-CG 4.18Å; F139-F143 AromaticContact CE2-CD2 3.57Å; F139-F143 HydrophobicContact CE2-CD2 3.57Å; F139-F143 AromaticContact CE2-CE2 3.01Å; F139-F143 HydrophobicContact CE2-CE2 3.01Å; F139-F143 AromaticContact CE2-CZ 3.79Å; F139-F143 HydrophobicContact CE2-CZ 3.79Å; F139-F143 AromaticContact CG-CD2 3.78Å; F139-F143 HydrophobicContact CG-CD2 3.78Å; F139-F143 AromaticContact CG-CE2 3.99Å; F139-F143 HydrophobicContact CG-CE2 3.99Å; F139-F143 AromaticContact CZ-CD2 3.44Å; F139-F143 HydrophobicContact CZ-CD2 3.44Å; F139-F143 VanDerWaalsContact CZ-CD2 3.44Å; F139-F143 AromaticContact CZ-CE2 3.24Å; F139-F143 HydrophobicContact CZ-CE2 3.24Å; F139-F143 HydrophobicContact CZ-CG 4.27Å; F139-F143 AromaticContact CZ-CZ 3.85Å; F139-F143 HydrophobicContact CZ-CZ 3.85Å; F139-F143 VanDerWaalsContact O-CD2 3.25Å; F139-F143 WeakPolarHBondContact O-CD2 3.31Å; F139-F143 PolarHBondContact O-N 3.4Å |
| 140 | F | 72.6 | Confident | 70.9 | Confident | 126 Ų | 126 | 67.2 Ų | 67.2 | 55% | 0.553 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.4 | -37.3 | -178.5 | -153.4 | -87.5 | 0 | 0 | 0 | 112.8 | Y72 I136 L137 G144 | Y72-F140 HydrophobicContact CD2-CD2 4.28Å; Y72-F140 AromaticContact CD2-CE2 3.97Å; Y72-F140 HydrophobicContact CD2-CE2 3.97Å; Y72-F140 HydrophobicContact CE2-CD2 4.44Å; Y72-F140 HydrophobicContact CE2-CE2 4.28Å; I136-F140 PolarHBondContact O-N 2.97Å; L137-F140 PolarHBondContact O-N 3.38Å; F140-G144 WeakPolarHBondContact O-CA 3.2Å; F140-G144 PolarHBondContact O-N 2.91Å |
| 141 | L | 73.8 | Confident | 68.7 | Low | 127 Ų | 127 | 72.6 Ų | 72.6 | 67% | 0.665 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.7 | -42.3 | 175.8 | -169.1 | 155.7 | 0 | 0 | 0 | 111.3 | L137 F139 S145 | L137-L141 VanDerWaalsContact O-CB 3.29Å; L137-L141 WeakPolarHBondContact O-CB 3.45Å; L137-L141 PolarHBondContact O-N 3.42Å; F139-L141 VanDerWaalsContact C-N 3.33Å; F139-L141 PolarHBondContact O-N 2.92Å; L141-S145 WeakPolarHBondContact O-CB 3.5Å; L141-S145 PolarHBondContact O-N 2.81Å |
| 142 | V | 70.9 | Confident | 66.5 | Low | 27 Ų | 27 | 79 Ų | 79 | 16% | 0.164 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 175.2 | 160.3 | 0 | 0 | 0 | 0 | 111.3 | Q26 A29 G138 F139 N146 | Q26-V142 HydrophobicContact CG-CG1 3.84Å; A29-V142 HydrophobicContact CB-CG1 4.44Å; A29-V142 HydrophobicContact CB-CG2 3.78Å; G138-V142 VanDerWaalsContact O-CB 3.29Å; G138-V142 WeakPolarHBondContact O-CB 2.82Å; G138-V142 VanDerWaalsContact O-CG2 3.26Å; G138-V142 WeakPolarHBondContact O-CG2 3.24Å; G138-V142 PolarHBondContact O-N 2.63Å; F139-V142 PolarHBondContact O-N 2.93Å; V142-N146 PolarHBondContact O-N 3.2Å; V142-N146 PolarHBondContact O-ND2 3.41Å |
| 143 | F | 64.1 | Low | 64.4 | Low | 48 Ų | 48 | 84.8 Ų | 84.8 | 21% | 0.211 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -75.1 | -43.4 | -178.4 | -79.1 | -82.7 | 0 | 0 | 0 | 112.4 | L30 F139 S145 N146 D147 | L30-F143 HydrophobicContact CD2-CE2 3.82Å; L30-F143 HydrophobicContact CD2-CZ 3.97Å; F139-F143 AromaticContact CD1-CD2 3.69Å; F139-F143 HydrophobicContact CD1-CD2 3.69Å; F139-F143 HydrophobicContact CD1-CE2 4.19Å; F139-F143 AromaticContact CD2-CD2 3.72Å; F139-F143 HydrophobicContact CD2-CD2 3.72Å; F139-F143 AromaticContact CD2-CE2 3.41Å; F139-F143 HydrophobicContact CD2-CE2 3.41Å; F139-F143 VanDerWaalsContact CD2-CE2 3.41Å; F139-F143 AromaticContact CE1-CD2 3.51Å; F139-F143 HydrophobicContact CE1-CD2 3.51Å; F139-F143 AromaticContact CE1-CE2 3.84Å; F139-F143 HydrophobicContact CE1-CE2 3.84Å; F139-F143 HydrophobicContact CE1-CG 4.18Å; F139-F143 AromaticContact CE2-CD2 3.57Å; F139-F143 HydrophobicContact CE2-CD2 3.57Å; F139-F143 AromaticContact CE2-CE2 3.01Å; F139-F143 HydrophobicContact CE2-CE2 3.01Å; F139-F143 AromaticContact CE2-CZ 3.79Å; F139-F143 HydrophobicContact CE2-CZ 3.79Å; F139-F143 AromaticContact CG-CD2 3.78Å; F139-F143 HydrophobicContact CG-CD2 3.78Å; F139-F143 AromaticContact CG-CE2 3.99Å; F139-F143 HydrophobicContact CG-CE2 3.99Å; F139-F143 AromaticContact CZ-CD2 3.44Å; F139-F143 HydrophobicContact CZ-CD2 3.44Å; F139-F143 VanDerWaalsContact CZ-CD2 3.44Å; F139-F143 AromaticContact CZ-CE2 3.24Å; F139-F143 HydrophobicContact CZ-CE2 3.24Å; F139-F143 HydrophobicContact CZ-CG 4.27Å; F139-F143 AromaticContact CZ-CZ 3.85Å; F139-F143 HydrophobicContact CZ-CZ 3.85Å; F139-F143 VanDerWaalsContact O-CD2 3.25Å; F139-F143 WeakPolarHBondContact O-CD2 3.31Å; F139-F143 PolarHBondContact O-N 3.4Å; F143-S145 VanDerWaalsContact C-N 3.31Å; F143-S145 PolarHBondContact O-N 3.44Å; F143-N146 WeakPolarHBondContact O-CA 3.35Å; F143-N146 WeakPolarHBondContact O-CB 3.47Å; F143-N146 PolarHBondContact O-N 3.1Å; F143-D147 PolarHBondContact O-N 3.06Å |
| 144 | G | 61.3 | Low | 62.2 | Low | 22 Ų | 22 | 97.9 Ų | 97.9 | 23% | 0.227 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | F140 N146 D147 D148 | F140-G144 WeakPolarHBondContact O-CA 3.2Å; F140-G144 PolarHBondContact O-N 2.91Å; G144-N146 PolarHBondContact O-N 2.98Å; G144-D147 WeakPolarHBondContact CA-OD2 3.33Å; G144-D147 PolarHBondContact O-N 3.41Å; G144-D148 PolarHBondContact O-N 2.91Å |
| 145 | S | 58.1 | Low | 61 | Low | 66 Ų | 66 | 99.8 Ų | 99.8 | 46% | 0.462 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.3 | -21.5 | 174.7 | -175.4 | 0 | 0 | 0 | 0 | 113.7 | L141 F143 | L141-S145 WeakPolarHBondContact O-CB 3.5Å; L141-S145 PolarHBondContact O-N 2.81Å; F143-S145 VanDerWaalsContact C-N 3.31Å; F143-S145 PolarHBondContact O-N 3.44Å |
| 146 | N | 54.5 | Low | 59.9 | Low | 59 Ų | 59 | 103.7 Ų | 103.7 | 32% | 0.316 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -83.8 | -31.3 | 175.1 | -85.4 | -91.3 | 0 | 0 | 0 | 111.9 | Q26 V142 F143 G144 F149 S150 | Q26-N146 VanDerWaalsContact NE2-CG 3.28Å; Q26-N146 PolarHBondContact NE2-ND2 3.08Å; Q26-N146 PolarHBondContact OE1-OD1 3.48Å; Q26-N146 VanDerWaalsContact OE1-OD1 3.13Å; V142-N146 PolarHBondContact O-N 3.2Å; V142-N146 PolarHBondContact O-ND2 3.41Å; F143-N146 WeakPolarHBondContact O-CA 3.35Å; F143-N146 WeakPolarHBondContact O-CB 3.47Å; F143-N146 PolarHBondContact O-N 3.1Å; G144-N146 PolarHBondContact O-N 2.98Å; N146-F149 PolarHBondContact O-N 3.36Å; N146-S150 PolarHBondContact O-N 3.07Å |
| 147 | D | 53.9 | Low | 58.8 | Low | 82 Ų | 82 | 106.7 Ų | 106.7 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 177.1 | -53.9 | -31.1 | 0 | 0 | 0 | 110.4 | F143 G144 F149 S150 | F143-D147 PolarHBondContact O-N 3.06Å; G144-D147 WeakPolarHBondContact CA-OD2 3.33Å; G144-D147 PolarHBondContact O-N 3.41Å; D147-F149 VanDerWaalsContact C-N 3.29Å; D147-F149 PolarHBondContact O-N 3.11Å; D147-S150 PolarHBondContact O-N 3.24Å; D147-S150 VanDerWaalsContact O-N 3.15Å; D147-S150 PolarHBondContact O-OG 3.01Å |
| 148 | D | 54.4 | Low | 57.6 | Low | 116 Ų | 116 | 106 Ų | 106 | 62% | 0.62 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.3 | -33.8 | 175.7 | -67.8 | -40 | 0 | 0 | 0 | 113.2 | G144 S150 | G144-D148 PolarHBondContact O-N 2.91Å; D148-S150 VanDerWaalsContact C-N 3.28Å; D148-S150 PolarHBondContact O-N 3.27Å |
| 149 | F | 49.2 | Very low | 56.1 | Low | 162 Ų | 162 | 111.2 Ų | 111.2 | 71% | 0.711 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.6 | -24.4 | 178.7 | -117.1 | -86 | 0 | 0 | 0 | 112.9 | N146 D147 | N146-F149 PolarHBondContact O-N 3.36Å; D147-F149 VanDerWaalsContact C-N 3.29Å; D147-F149 PolarHBondContact O-N 3.11Å |
| 150 | S | 49.1 | Very low | 54.8 | Low | 67 Ų | 67 | 113.7 Ų | 113.7 | 47% | 0.469 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -80.3 | -20 | -179 | 74.3 | 0 | 0 | 0 | 0 | 113.8 | N146 D147 D148 | N146-S150 PolarHBondContact O-N 3.07Å; D147-S150 PolarHBondContact O-N 3.24Å; D147-S150 VanDerWaalsContact O-N 3.15Å; D147-S150 PolarHBondContact O-OG 3.01Å; D148-S150 VanDerWaalsContact C-N 3.28Å; D148-S150 PolarHBondContact O-N 3.27Å |
| 151 | W | 39.4 | Very low | 53.6 | Low | 183 Ų | 183 | 112.8 Ų | 112.8 | 69% | 0.693 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -93 | -9.5 | -177.6 | -63.1 | 112.8 | 0 | 0 | 0 | 114.9 | ||
| 152 | Q | 42.5 | Very low | 52 | Low | 177 Ų | 177 | 111.7 Ų | 111.7 | 83% | 0.827 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -91.4 | 1.8 | 175.9 | -71 | -99.2 | -20.9 | 0 | 0 | 113.1 | ||
| 153 | Q | 42.7 | Very low | 50.4 | Low | 143 Ų | 143 | 118.8 Ų | 118.8 | 67% | 0.668 | 57% | 0.565 | S | S | * | * | trans | -107.5 | 13.7 | -176.4 | -152.6 | 161 | 26.9 | 0 | 0 | 114.1 | ||||
| 154 | W | 36 | Very low | 49.2 | Very low | 300 Ų | 300 | 125.2 Ų | 125.2 | 100% | 1.136 | 60% | 0.597 | S | S | * | * | trans | -135.3 | 0 | 162.3 | -67.1 | 93.5 | 0 | 0 | 0 | 109.4 |
Retrieved 154 of 154 residues in 120.2 ms
(Link to these results)