| 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 | 43.2 | Very low | 63.7 | Low | 223 Ų | 223 | 114.4 Ų | 114.4 | 100% | 1.099 | 56% | 0.559 | S | S | * | * | 0 | 20.4 | 0 | -76.9 | 176.3 | 170.4 | 0 | 0 | 114.8 | |||||
| 2 | R | 47.5 | Very low | 65.3 | Low | 224 Ų | 224 | 110.5 Ų | 110.5 | 85% | 0.845 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -83.4 | -21.9 | 174.6 | -84.1 | -175.9 | 173.4 | 179.9 | -2.1 | 114.5 | N5 A6 | R2-N5 PolarHBondContact O-N 3.21Å; R2-A6 PolarHBondContact O-N 3.23Å |
| 3 | L | 47.8 | Very low | 66.6 | Low | 130 Ų | 130 | 108.9 Ų | 108.9 | 68% | 0.681 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.7 | -49.8 | -176.1 | -132.8 | 93.4 | 0 | 0 | 0 | 111.6 | N5 A6 F7 | L3-N5 PolarHBondContact O-N 2.79Å; L3-A6 WeakPolarHBondContact O-CB 3.4Å; L3-A6 PolarHBondContact O-N 3.18Å; L3-A6 VanDerWaalsContact O-N 3.08Å; L3-F7 HydrophobicContact CD2-CE2 3.88Å; L3-F7 HydrophobicContact CG-CE2 3.9Å; L3-F7 WeakPolarHBondContact O-CD2 3.32Å; L3-F7 PolarHBondContact O-N 3.14Å |
| 4 | F | 50.5 | Low | 67.9 | Low | 171 Ų | 171 | 102.2 Ų | 102.2 | 75% | 0.75 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -39.7 | 177.3 | -81.5 | -78.6 | 0 | 0 | 0 | 112.6 | A6 F7 F8 | F4-A6 PolarHBondContact O-N 3.46Å; F4-F7 PolarHBondContact O-N 3Å; F4-F8 PolarHBondContact O-N 3.33Å |
| 5 | N | 56.3 | Low | 69.1 | Low | 113 Ų | 113 | 95.4 Ų | 95.4 | 60% | 0.604 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.2 | -26.2 | 174.8 | -71 | 7.9 | 0 | 0 | 0 | 112.8 | R2 L3 | R2-N5 PolarHBondContact O-N 3.21Å; L3-N5 PolarHBondContact O-N 2.79Å |
| 6 | A | 59.9 | Low | 70 | Confident | 69 Ų | 69 | 95.9 Ų | 95.9 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -76 | -28.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R2 L3 F4 | R2-A6 PolarHBondContact O-N 3.23Å; L3-A6 WeakPolarHBondContact O-CB 3.4Å; L3-A6 PolarHBondContact O-N 3.18Å; L3-A6 VanDerWaalsContact O-N 3.08Å; F4-A6 PolarHBondContact O-N 3.46Å |
| 7 | F | 67.7 | Low | 70.7 | Confident | 106 Ų | 106 | 93.8 Ų | 93.8 | 47% | 0.465 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -94.3 | -39.1 | -175.3 | -67.9 | -62.8 | 0 | 0 | 0 | 113.5 | L3 F4 L18 | L3-F7 HydrophobicContact CD2-CE2 3.88Å; L3-F7 HydrophobicContact CG-CE2 3.9Å; L3-F7 WeakPolarHBondContact O-CD2 3.32Å; L3-F7 PolarHBondContact O-N 3.14Å; F4-F7 PolarHBondContact O-N 3Å; F7-L18 HydrophobicContact CD1-CD2 3.56Å; F7-L18 HydrophobicContact CE1-CD2 4.03Å; F7-L18 PolarHBondContact O-N 3.23Å |
| 8 | F | 76.6 | Confident | 71.1 | Confident | 82 Ų | 82 | 94.8 Ų | 94.8 | 36% | 0.36 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 111 | -176 | -171.8 | -101.2 | 0 | 0 | 0 | 109.9 | F4 V10 T15 K16 I17 I183 I187 | F4-F8 PolarHBondContact O-N 3.33Å; F8-V10 HydrophobicContact CD1-CG2 4.19Å; F8-V10 HydrophobicContact CE1-CG2 3.37Å; F8-V10 HydrophobicContact CZ-CG2 3.62Å; F8-T15 HydrophobicContact CD2-CG2 4.26Å; F8-T15 HydrophobicContact CE2-CG2 3.63Å; F8-T15 HydrophobicContact CZ-CG2 3.92Å; F8-K16 WeakPolarHBondContact CA-O 3.31Å; F8-I17 HydrophobicContact CD2-CG1 4.1Å; F8-I17 HydrophobicContact CE2-CD1 4.46Å; F8-I17 HydrophobicContact CE2-CG1 4.14Å; F8-I183 HydrophobicContact CZ-CG2 4.14Å; F8-I187 HydrophobicContact CZ-CD1 4.48Å |
| 9 | S | 83.9 | Confident | 71.4 | Confident | 36 Ų | 36 | 96.4 Ų | 96.4 | 25% | 0.252 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 114 | 177.8 | -171.2 | 0 | 0 | 0 | 0 | 109.9 | H11 K16 | S9-H11 PolarHBondContact OG-CE1 3.32Å; S9-K16 PolarHBondContact N-O 2.99Å; S9-K16 PolarHBondContact O-N 3.33Å |
| 10 | V | 82.3 | Confident | 71.8 | Confident | 27 Ų | 27 | 101.1 Ų | 101.1 | 16% | 0.164 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 120 | 176 | -171.4 | 0 | 0 | 0 | 0 | 108.3 | F8 T15 V186 H190 | F8-V10 HydrophobicContact CD1-CG2 4.19Å; F8-V10 HydrophobicContact CE1-CG2 3.37Å; F8-V10 HydrophobicContact CZ-CG2 3.62Å; V10-T15 HydrophobicContact CG2-CG2 3.94Å; V10-V186 HydrophobicContact CB-CG1 4.45Å; V10-V186 HydrophobicContact CG1-CG1 4.4Å; V10-V186 HydrophobicContact CG2-CG1 4.15Å; V10-H190 HydrophobicContact CG1-CB 3.77Å; V10-H190 WeakPolarHBondContact CG1-CD2 3.2Å; V10-H190 VanDerWaalsContact CG1-CG 3.49Å |
| 11 | H | 84.4 | Confident | 72.5 | Confident | 77 Ų | 77 | 99.5 Ų | 99.5 | 36% | 0.356 | 50% | 0.499 | S | S | . | . | trans | -107.1 | 169.9 | 166.7 | -57.4 | 70.6 | 0 | 0 | 0 | 108.3 | S9 D13 S14 N24 | S9-H11 PolarHBondContact OG-CE1 3.32Å; H11-D13 PolarHBondContact O-N 3.43Å; H11-S14 CarbonylContact C-O 3.55Å; H11-S14 WeakPolarHBondContact CA-O 3.49Å; H11-S14 VanDerWaalsContact CB-O 3.28Å; H11-S14 WeakPolarHBondContact CB-O 3.32Å; H11-S14 PolarHBondContact N-O 3.29Å; H11-N24 PolarHBondContact O-ND2 2.98Å | ||
| 12 | D | 83.1 | Confident | 74.7 | Confident | 68 Ų | 68 | 91.5 Ų | 91.5 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -63.1 | -42.4 | -177.3 | -69.3 | -10.8 | 0 | 0 | 0 | 112.1 | N24 H190 H194 | D12-N24 VanDerWaalsContact C-ND2 3.35Å; D12-N24 PolarHBondContact O-ND2 3.14Å; D12-H190 IonicContact OD1-CE1 2.66Å; D12-H190 IonicContact OD1-CG 2.93Å; D12-H190 IonicContact OD1-ND1 3.65Å; D12-H190 PolarHBondContact OD1-ND1 3.37Å; D12-H194 HydrophobicContact CB-CB 4.02Å; D12-H194 WeakPolarHBondContact O-CB 3.24Å |
| 13 | D | 82.3 | Confident | 76.7 | Confident | 90 Ų | 90 | 82.5 Ų | 82.5 | 48% | 0.481 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -84 | -39.5 | -177.9 | 65.8 | -39.8 | 0 | 0 | 0 | 113.5 | H11 N24 | H11-D13 PolarHBondContact O-N 3.43Å; D13-N24 PolarHBondContact O-N 3.47Å; D13-N24 VanDerWaalsContact O-N 3.08Å |
| 14 | S | 85.3 | Confident | 78.8 | Confident | 15 Ų | 15 | 76.3 Ų | 76.3 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 152 | -174.8 | 63 | 0 | 0 | 0 | 0 | 113.2 | H11 S21 I22 N24 | H11-S14 CarbonylContact C-O 3.55Å; H11-S14 WeakPolarHBondContact CA-O 3.49Å; H11-S14 VanDerWaalsContact CB-O 3.28Å; H11-S14 WeakPolarHBondContact CB-O 3.32Å; H11-S14 PolarHBondContact N-O 3.29Å; S14-S21 PolarHBondContact OG-OG 2.94Å; S14-S21 VanDerWaalsContact OG-OG 3.09Å; S14-I22 CarbonylContact C-O 3.11Å; S14-I22 VanDerWaalsContact CA-O 3.3Å; S14-I22 WeakPolarHBondContact CA-O 3.15Å; S14-I22 VanDerWaalsContact CB-O 3.31Å; S14-I22 WeakPolarHBondContact CB-O 3.47Å; S14-N24 VanDerWaalsContact C-OD1 3.25Å |
| 15 | T | 85.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 126.5 | 172 | -61.1 | 0 | 0 | 0 | 0 | 108.5 | F8 V10 I17 I22 N24 I27 | F8-T15 HydrophobicContact CD2-CG2 4.26Å; F8-T15 HydrophobicContact CE2-CG2 3.63Å; F8-T15 HydrophobicContact CZ-CG2 3.92Å; V10-T15 HydrophobicContact CG2-CG2 3.94Å; T15-I17 HydrophobicContact CG2-CG1 4.03Å; T15-I22 PolarHBondContact N-O 2.81Å; T15-I22 PolarHBondContact O-N 3.4Å; T15-N24 PolarHBondContact N-OD1 3.09Å; T15-N24 PolarHBondContact OG1-OD1 2.78Å; T15-I27 HydrophobicContact CG2-CD1 4.32Å |
| 16 | K | 83.9 | Confident | 82.7 | Confident | 103 Ų | 103 | 71.3 Ų | 71.3 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 119.2 | 172.6 | -69.4 | -176.4 | 179.9 | 178.5 | 0 | 109.1 | F8 S9 W20 S21 | F8-K16 WeakPolarHBondContact CA-O 3.31Å; S9-K16 PolarHBondContact N-O 2.99Å; S9-K16 PolarHBondContact O-N 3.33Å; K16-W20 WeakPolarHBondContact CA-O 3.37Å; K16-S21 WeakPolarHBondContact CG-OG 3.43Å |
| 17 | I | 81.2 | Confident | 84.3 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 31% | 0.308 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 112.8 | 173.6 | -52.9 | 178.7 | 0 | 0 | 0 | 106.3 | F8 T15 C19 W20 I22 | F8-I17 HydrophobicContact CD2-CG1 4.1Å; F8-I17 HydrophobicContact CE2-CD1 4.46Å; F8-I17 HydrophobicContact CE2-CG1 4.14Å; T15-I17 HydrophobicContact CG2-CG1 4.03Å; I17-C19 PolarHBondContact O-N 3.41Å; I17-W20 PolarHBondContact N-O 3.25Å; I17-W20 PolarHBondContact O-N 2.96Å; I17-I22 HydrophobicContact CD1-CD1 4.4Å |
| 18 | L | 77.9 | Confident | 85.7 | Confident | 113 Ų | 113 | 63.7 Ų | 63.7 | 59% | 0.592 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | -110.9 | -173.5 | -64.9 | 157.7 | 0 | 0 | 0 | 110.7 | F7 | F7-L18 HydrophobicContact CD1-CD2 3.56Å; F7-L18 HydrophobicContact CE1-CD2 4.03Å; F7-L18 PolarHBondContact O-N 3.23Å |
| 19 | C | 76.9 | Confident | 86.6 | Confident | 125 Ų | 125 | 61.5 Ų | 61.5 | 85% | 0.845 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -1 | 180 | -64.4 | 0 | 0 | 0 | 0 | 113.9 | I17 | I17-C19 PolarHBondContact O-N 3.41Š|
| 20 | W | 79.6 | Confident | 87.2 | Confident | 189 Ų | 189 | 65.8 Ų | 65.8 | 72% | 0.716 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127 | -173.8 | -60 | -28.9 | 0 | 0 | 0 | 111.4 | K16 I17 I22 | K16-W20 WeakPolarHBondContact CA-O 3.37Å; I17-W20 PolarHBondContact N-O 3.25Å; I17-W20 PolarHBondContact O-N 2.96Å; W20-I22 HydrophobicContact CB-CG1 4.5Å |
| 21 | S | 86.3 | Confident | 88 | Confident | 69 Ų | 69 | 65.5 Ų | 65.5 | 48% | 0.483 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 110.6 | 171.4 | -147.2 | 0 | 0 | 0 | 0 | 108.4 | S14 K16 | S14-S21 PolarHBondContact OG-OG 2.94Å; S14-S21 VanDerWaalsContact OG-OG 3.09Å; K16-S21 WeakPolarHBondContact CG-OG 3.43Å |
| 22 | I | 89.2 | Confident | 88.6 | Confident | 55 Ų | 55 | 61.9 Ų | 61.9 | 28% | 0.282 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.9 | -179 | -54.8 | 173.4 | 0 | 0 | 0 | 108.1 | S14 T15 I17 W20 N24 Q26 I27 | S14-I22 CarbonylContact C-O 3.11Å; S14-I22 VanDerWaalsContact CA-O 3.3Å; S14-I22 WeakPolarHBondContact CA-O 3.15Å; S14-I22 VanDerWaalsContact CB-O 3.31Å; S14-I22 WeakPolarHBondContact CB-O 3.47Å; T15-I22 PolarHBondContact N-O 2.81Å; T15-I22 PolarHBondContact O-N 3.4Å; I17-I22 HydrophobicContact CD1-CD1 4.4Å; W20-I22 HydrophobicContact CB-CG1 4.5Å; I22-N24 PolarHBondContact O-N 3.39Å; I22-Q26 HydrophobicContact CG2-CB 4.15Å; I22-I27 HydrophobicContact CB-CD1 3.98Å; I22-I27 HydrophobicContact CB-CG1 4.05Å; I22-I27 HydrophobicContact CG2-CD1 4.06Å; I22-I27 HydrophobicContact CG2-CG1 3.56Å |
| 23 | A | 91.1 | Very high | 89.3 | Confident | 34 Ų | 34 | 60.7 Ų | 60.7 | 28% | 0.281 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 132.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | R25 Q26 I27 | A23-R25 PolarHBondContact O-N 3.35Å; A23-R25 VanDerWaalsContact O-N 3.09Å; A23-Q26 HydrophobicContact CB-CG 4.46Å; A23-Q26 WeakPolarHBondContact O-CB 3.46Å; A23-Q26 PolarHBondContact O-N 3.34Å; A23-I27 PolarHBondContact O-N 2.89Å |
| 24 | N | 91.7 | Very high | 90 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.2 | -34.4 | -176.3 | -75 | -15.9 | 0 | 0 | 0 | 112.1 | H11 D12 D13 S14 T15 I22 Q26 I27 T28 I187 F191 | H11-N24 PolarHBondContact O-ND2 2.98Å; D12-N24 VanDerWaalsContact C-ND2 3.35Å; D12-N24 PolarHBondContact O-ND2 3.14Å; D13-N24 PolarHBondContact O-N 3.47Å; D13-N24 VanDerWaalsContact O-N 3.08Å; S14-N24 VanDerWaalsContact C-OD1 3.25Å; T15-N24 PolarHBondContact N-OD1 3.09Å; T15-N24 PolarHBondContact OG1-OD1 2.78Å; I22-N24 PolarHBondContact O-N 3.39Å; N24-Q26 VanDerWaalsContact C-N 3.31Å; N24-Q26 PolarHBondContact O-N 3.01Å; N24-I27 PolarHBondContact O-N 3.46Å; N24-I27 VanDerWaalsContact O-N 3.17Å; N24-T28 WeakPolarHBondContact O-CB 3.31Å; N24-T28 PolarHBondContact O-N 2.66Å; N24-T28 PolarHBondContact O-OG1 3.5Å; N24-I187 HydrophobicContact CB-CG2 4.38Å; N24-F191 HydrophobicContact CB-CB 3.97Å; N24-F191 HydrophobicContact CB-CD2 4.24Å; N24-F191 HydrophobicContact CB-CG 4.39Å |
| 25 | R | 93.2 | Very high | 90.6 | Very high | 68 Ų | 68 | 58 Ų | 58 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -53.1 | -45 | 172.7 | -172.5 | 179.7 | 66.4 | -114.4 | -7 | 112.9 | A23 T28 I29 C121 E126 F191 | A23-R25 PolarHBondContact O-N 3.35Å; A23-R25 VanDerWaalsContact O-N 3.09Å; R25-T28 PolarHBondContact O-N 3.28Å; R25-I29 HydrophobicContact CG-CD1 4.17Å; R25-I29 WeakPolarHBondContact O-CD1 3.47Å; R25-I29 VanDerWaalsContact O-CG1 3.23Å; R25-I29 WeakPolarHBondContact O-CG1 3.36Å; R25-I29 PolarHBondContact O-N 2.73Å; R25-C121 HydrophobicContact CG-CB 4.28Å; R25-E126 IonicContact NH1-OE1 2.78Å; R25-F191 HydrophobicContact CB-CD2 4.45Å; R25-F191 HydrophobicContact CB-CE2 3.79Å; R25-F191 HydrophobicContact CB-CZ 3.91Å; R25-F191 HydrophobicContact CG-CE2 4.3Å; R25-F191 HydrophobicContact CG-CZ 3.94Å |
| 26 | Q | 94.1 | Very high | 91.2 | Very high | 112 Ų | 112 | 59.7 Ų | 59.7 | 52% | 0.523 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | -179.6 | -70.9 | 175.9 | -33.3 | 0 | 0 | 111.3 | I22 A23 N24 I29 F30 | I22-Q26 HydrophobicContact CG2-CB 4.15Å; A23-Q26 HydrophobicContact CB-CG 4.46Å; A23-Q26 WeakPolarHBondContact O-CB 3.46Å; A23-Q26 PolarHBondContact O-N 3.34Å; N24-Q26 VanDerWaalsContact C-N 3.31Å; N24-Q26 PolarHBondContact O-N 3.01Å; Q26-I29 PolarHBondContact O-N 3.43Å; Q26-F30 PolarHBondContact O-N 2.91Å |
| 27 | I | 94 | Very high | 91.8 | Very high | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.072 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 177.2 | -52.2 | 174.7 | 0 | 0 | 0 | 110 | T15 I22 A23 N24 I29 F30 F31 I187 | T15-I27 HydrophobicContact CG2-CD1 4.32Å; I22-I27 HydrophobicContact CB-CD1 3.98Å; I22-I27 HydrophobicContact CB-CG1 4.05Å; I22-I27 HydrophobicContact CG2-CD1 4.06Å; I22-I27 HydrophobicContact CG2-CG1 3.56Å; A23-I27 PolarHBondContact O-N 2.89Å; N24-I27 PolarHBondContact O-N 3.46Å; N24-I27 VanDerWaalsContact O-N 3.17Å; I27-I29 VanDerWaalsContact C-N 3.34Å; I27-I29 PolarHBondContact O-N 2.92Å; I27-F30 WeakPolarHBondContact O-CB 3.28Å; I27-F30 PolarHBondContact O-N 2.79Å; I27-F30 VanDerWaalsContact O-N 3.12Å; I27-F31 HydrophobicContact CG2-CD2 3.39Å; I27-F31 HydrophobicContact CG2-CE2 3.4Å; I27-F31 VanDerWaalsContact CG2-CE2 3.4Å; I27-F31 WeakPolarHBondContact O-CD2 3.45Å; I27-F31 PolarHBondContact O-N 3.08Å; I27-I187 HydrophobicContact CB-CG2 4.15Å; I27-I187 HydrophobicContact CG2-CD1 3.64Å; I27-I187 HydrophobicContact CG2-CG2 4.09Å |
| 28 | T | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 174.8 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | N24 R25 F30 F31 A32 L117 F184 I188 F191 | N24-T28 WeakPolarHBondContact O-CB 3.31Å; N24-T28 PolarHBondContact O-N 2.66Å; N24-T28 PolarHBondContact O-OG1 3.5Å; R25-T28 PolarHBondContact O-N 3.28Å; T28-F30 VanDerWaalsContact C-N 3.31Å; T28-F30 PolarHBondContact O-N 3.33Å; T28-F31 PolarHBondContact O-N 3.08Å; T28-A32 WeakPolarHBondContact O-CB 3.27Å; T28-A32 PolarHBondContact O-N 2.91Å; T28-L117 HydrophobicContact CG2-CD1 3.98Å; T28-L117 HydrophobicContact CG2-CD2 3.8Å; T28-L117 HydrophobicContact CG2-CG 4.03Å; T28-F184 HydrophobicContact CG2-CE2 4.21Å; T28-I188 HydrophobicContact CG2-CG1 4.32Å; T28-F191 HydrophobicContact CG2-CD1 4.3Å |
| 29 | I | 97 | Very high | 93.5 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 19% | 0.19 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 175.5 | -72.1 | 164.5 | 0 | 0 | 0 | 111.3 | R25 Q26 I27 A33 Q118 C121 L122 | R25-I29 HydrophobicContact CG-CD1 4.17Å; R25-I29 WeakPolarHBondContact O-CD1 3.47Å; R25-I29 VanDerWaalsContact O-CG1 3.23Å; R25-I29 WeakPolarHBondContact O-CG1 3.36Å; R25-I29 PolarHBondContact O-N 2.73Å; Q26-I29 PolarHBondContact O-N 3.43Å; I27-I29 VanDerWaalsContact C-N 3.34Å; I27-I29 PolarHBondContact O-N 2.92Å; I29-A33 WeakPolarHBondContact O-CB 3.4Å; I29-A33 PolarHBondContact O-N 3.26Å; I29-Q118 PolarHBondContact O-NE2 2.94Å; I29-Q118 PolarHBondContact O-OE1 3.21Å; I29-C121 HydrophobicContact CD1-CB 3.9Å; I29-C121 HydrophobicContact CG1-CB 3.44Å; I29-C121 VanDerWaalsContact CG1-CB 3.44Å; I29-L122 HydrophobicContact CD1-CD2 4.2Å; I29-L122 HydrophobicContact CG2-CD2 4.13Å |
| 30 | F | 96.9 | Very high | 94.4 | Very high | 125 Ų | 125 | 49.8 Ų | 49.8 | 55% | 0.548 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.3 | -53.3 | 179.4 | 171.8 | -100.5 | 0 | 0 | 0 | 111.8 | Q26 I27 T28 A32 A33 V34 | Q26-F30 PolarHBondContact O-N 2.91Å; I27-F30 WeakPolarHBondContact O-CB 3.28Å; I27-F30 PolarHBondContact O-N 2.79Å; I27-F30 VanDerWaalsContact O-N 3.12Å; T28-F30 VanDerWaalsContact C-N 3.31Å; T28-F30 PolarHBondContact O-N 3.33Å; F30-A32 VanDerWaalsContact C-N 3.34Å; F30-A32 PolarHBondContact O-N 3.3Å; F30-A33 PolarHBondContact O-N 3.33Å; F30-V34 HydrophobicContact CE1-CG2 4.37Å; F30-V34 HydrophobicContact CE2-CG2 4.21Å; F30-V34 HydrophobicContact CZ-CG2 4.06Å; F30-V34 WeakPolarHBondContact O-CG2 3.3Å; F30-V34 PolarHBondContact O-N 3.18Å; F30-V34 VanDerWaalsContact O-N 3.08Å |
| 31 | F | 97.3 | Very high | 95.2 | Very high | 22 Ų | 22 | 43 Ų | 43 | 10% | 0.096 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -41.1 | -179.9 | -86.6 | -95.2 | 0 | 0 | 0 | 112 | I27 T28 V34 Q35 F180 I183 F184 I187 | I27-F31 HydrophobicContact CG2-CD2 3.39Å; I27-F31 HydrophobicContact CG2-CE2 3.4Å; I27-F31 VanDerWaalsContact CG2-CE2 3.4Å; I27-F31 WeakPolarHBondContact O-CD2 3.45Å; I27-F31 PolarHBondContact O-N 3.08Å; T28-F31 PolarHBondContact O-N 3.08Å; F31-V34 PolarHBondContact O-N 3.06Å; F31-Q35 WeakPolarHBondContact O-CB 3.49Å; F31-Q35 VanDerWaalsContact O-CG 3.31Å; F31-Q35 WeakPolarHBondContact O-CG 3.37Å; F31-Q35 PolarHBondContact O-N 2.99Å; F31-F180 HydrophobicContact CD1-CD1 4.23Å; F31-F180 HydrophobicContact CD1-CD2 4.13Å; F31-F180 AromaticContact CD1-CE1 3.63Å; F31-F180 HydrophobicContact CD1-CE1 3.63Å; F31-F180 AromaticContact CD1-CE2 3.52Å; F31-F180 HydrophobicContact CD1-CE2 3.52Å; F31-F180 HydrophobicContact CD1-CG 4.45Å; F31-F180 AromaticContact CD1-CZ 3.23Å; F31-F180 HydrophobicContact CD1-CZ 3.23Å; F31-F180 HydrophobicContact CE1-CD1 4.22Å; F31-F180 AromaticContact CE1-CD2 3.48Å; F31-F180 HydrophobicContact CE1-CD2 3.48Å; F31-F180 VanDerWaalsContact CE1-CD2 3.48Å; F31-F180 AromaticContact CE1-CE1 3.98Å; F31-F180 HydrophobicContact CE1-CE1 3.98Å; F31-F180 AromaticContact CE1-CE2 3.18Å; F31-F180 HydrophobicContact CE1-CE2 3.18Å; F31-F180 AromaticContact CE1-CG 3.99Å; F31-F180 HydrophobicContact CE1-CG 3.99Å; F31-F180 AromaticContact CE1-CZ 3.46Å; F31-F180 HydrophobicContact CE1-CZ 3.46Å; F31-F180 VanDerWaalsContact CE1-CZ 3.46Å; F31-F180 HydrophobicContact CG-CE2 4.49Å; F31-F180 HydrophobicContact CG-CZ 4.13Å; F31-F180 HydrophobicContact CZ-CD2 4.26Å; F31-F180 AromaticContact CZ-CE2 3.92Å; F31-F180 HydrophobicContact CZ-CE2 3.92Å; F31-F180 HydrophobicContact CZ-CZ 4.47Å; F31-I183 HydrophobicContact CE1-CG2 4.43Å; F31-I183 HydrophobicContact CZ-CG2 3.96Å; F31-F184 HydrophobicContact CB-CB 4.29Å; F31-F184 HydrophobicContact CB-CD1 4.12Å; F31-F184 HydrophobicContact CB-CD2 3.31Å; F31-F184 HydrophobicContact CB-CE1 4.32Å; F31-F184 HydrophobicContact CB-CE2 3.56Å; F31-F184 HydrophobicContact CB-CG 3.64Å; F31-F184 HydrophobicContact CB-CZ 4.07Å; F31-F184 HydrophobicContact CD1-CB 3.52Å; F31-F184 HydrophobicContact CD1-CD2 4.16Å; F31-F184 AromaticContact CD1-CG 3.84Å; F31-F184 HydrophobicContact CD1-CG 3.84Å; F31-F184 HydrophobicContact CE1-CB 4.03Å; F31-F184 HydrophobicContact CG-CB 4.09Å; F31-F184 AromaticContact CG-CD2 3.83Å; F31-F184 HydrophobicContact CG-CD2 3.83Å; F31-F184 AromaticContact CG-CG 3.98Å; F31-F184 HydrophobicContact CG-CG 3.98Å; F31-I187 HydrophobicContact CE2-CD1 4.35Å |
| 32 | A | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T28 F30 V34 Q35 I36 L114 L117 F184 | T28-A32 WeakPolarHBondContact O-CB 3.27Å; T28-A32 PolarHBondContact O-N 2.91Å; F30-A32 VanDerWaalsContact C-N 3.34Å; F30-A32 PolarHBondContact O-N 3.3Å; A32-V34 PolarHBondContact O-N 3.32Å; A32-Q35 PolarHBondContact O-N 3.14Å; A32-I36 WeakPolarHBondContact O-CB 3.43Å; A32-I36 WeakPolarHBondContact O-CD1 3.37Å; A32-I36 WeakPolarHBondContact O-CG1 3.34Å; A32-I36 PolarHBondContact O-N 2.96Å; A32-L114 HydrophobicContact CB-CD2 4.39Å; A32-L117 HydrophobicContact CB-CD2 4Å; A32-F184 HydrophobicContact CB-CZ 4.1Å |
| 33 | A | 97.9 | Very high | 96 | Very high | 44 Ų | 44 | 38.2 Ų | 38.2 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I29 F30 I36 L37 | I29-A33 WeakPolarHBondContact O-CB 3.4Å; I29-A33 PolarHBondContact O-N 3.26Å; F30-A33 PolarHBondContact O-N 3.33Å; A33-I36 PolarHBondContact O-N 3.08Å; A33-L37 PolarHBondContact O-N 3.37Å; A33-L37 VanDerWaalsContact O-N 3.13Å |
| 34 | V | 97.6 | Very high | 96.2 | Very high | 47 Ų | 47 | 38.6 Ų | 38.6 | 29% | 0.285 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | F30 F31 A32 I36 L37 I38 F180 | F30-V34 HydrophobicContact CE1-CG2 4.37Å; F30-V34 HydrophobicContact CE2-CG2 4.21Å; F30-V34 HydrophobicContact CZ-CG2 4.06Å; F30-V34 WeakPolarHBondContact O-CG2 3.3Å; F30-V34 PolarHBondContact O-N 3.18Å; F30-V34 VanDerWaalsContact O-N 3.08Å; F31-V34 PolarHBondContact O-N 3.06Å; A32-V34 PolarHBondContact O-N 3.32Å; V34-I36 VanDerWaalsContact C-N 3.35Å; V34-I36 PolarHBondContact O-N 3.44Å; V34-L37 WeakPolarHBondContact O-CB 3.35Å; V34-L37 PolarHBondContact O-N 3.06Å; V34-I38 HydrophobicContact CG1-CD1 4.03Å; V34-I38 WeakPolarHBondContact O-CG1 3.46Å; V34-I38 PolarHBondContact O-N 3.23Å; V34-I38 VanDerWaalsContact O-N 3.07Å; V34-F180 HydrophobicContact CB-CZ 4.15Å; V34-F180 HydrophobicContact CG1-CE1 4.07Å; V34-F180 HydrophobicContact CG1-CZ 3.81Å |
| 35 | Q | 97.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.1 | -34 | 178.2 | -70.8 | -68 | -18.9 | 0 | 0 | 112.6 | F31 A32 L37 I38 I39 L114 F180 N181 F184 | F31-Q35 WeakPolarHBondContact O-CB 3.49Å; F31-Q35 VanDerWaalsContact O-CG 3.31Å; F31-Q35 WeakPolarHBondContact O-CG 3.37Å; F31-Q35 PolarHBondContact O-N 2.99Å; A32-Q35 PolarHBondContact O-N 3.14Å; Q35-L37 VanDerWaalsContact C-N 3.29Å; Q35-L37 PolarHBondContact O-N 3.36Å; Q35-I38 PolarHBondContact O-N 2.99Å; Q35-I39 WeakPolarHBondContact O-CB 3.3Å; Q35-I39 WeakPolarHBondContact O-CG2 2.98Å; Q35-I39 PolarHBondContact O-N 3.23Å; Q35-L114 HydrophobicContact CB-CD1 3.64Å; Q35-L114 HydrophobicContact CB-CD2 4.41Å; Q35-F180 HydrophobicContact CG-CE1 4.34Å; Q35-F180 VanDerWaalsContact NE2-CE1 3.29Å; Q35-N181 PolarHBondContact NE2-ND2 2.94Å; Q35-N181 PolarHBondContact NE2-OD1 2.01Å; Q35-F184 HydrophobicContact CG-CD1 4.04Å; Q35-F184 HydrophobicContact CG-CE1 4.05Å |
| 36 | I | 98.2 | Very high | 96.5 | Very high | 35 Ų | 35 | 35.4 Ų | 35.4 | 18% | 0.179 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.2 | -40.3 | 172.5 | -74.3 | 164.9 | 0 | 0 | 0 | 110.3 | A32 A33 V34 I39 S40 L111 L114 I115 Q118 | A32-I36 WeakPolarHBondContact O-CB 3.43Å; A32-I36 WeakPolarHBondContact O-CD1 3.37Å; A32-I36 WeakPolarHBondContact O-CG1 3.34Å; A32-I36 PolarHBondContact O-N 2.96Å; A33-I36 PolarHBondContact O-N 3.08Å; V34-I36 VanDerWaalsContact C-N 3.35Å; V34-I36 PolarHBondContact O-N 3.44Å; I36-I39 WeakPolarHBondContact O-CG2 3.46Å; I36-S40 WeakPolarHBondContact O-CB 2.99Å; I36-S40 PolarHBondContact O-N 2.86Å; I36-S40 PolarHBondContact O-OG 2.89Å; I36-L111 HydrophobicContact CG2-CD1 4.34Å; I36-L114 HydrophobicContact CD1-CB 4.25Å; I36-L114 HydrophobicContact CG1-CB 3.71Å; I36-L114 HydrophobicContact CG1-CD1 4.46Å; I36-I115 HydrophobicContact CD1-CG1 4.44Å; I36-Q118 HydrophobicContact CD1-CB 3.83Å; I36-Q118 HydrophobicContact CD1-CG 4.07Å |
| 37 | L | 97.5 | Very high | 96.5 | Very high | 118 Ų | 118 | 32.6 Ų | 32.6 | 62% | 0.618 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -64.7 | -50.6 | 176.2 | -176.9 | 135.3 | 0 | 0 | 0 | 111.2 | A33 V34 Q35 I39 S40 T41 | A33-L37 PolarHBondContact O-N 3.37Å; A33-L37 VanDerWaalsContact O-N 3.13Å; V34-L37 WeakPolarHBondContact O-CB 3.35Å; V34-L37 PolarHBondContact O-N 3.06Å; Q35-L37 VanDerWaalsContact C-N 3.29Å; Q35-L37 PolarHBondContact O-N 3.36Å; L37-I39 PolarHBondContact O-N 2.88Å; L37-S40 PolarHBondContact O-N 2.94Å; L37-T41 PolarHBondContact O-N 3.38Å; L37-T41 PolarHBondContact O-OG1 3.09Å; L37-T41 VanDerWaalsContact O-OG1 3.06Å |
| 38 | I | 96.2 | Very high | 96.4 | Very high | 23 Ų | 23 | 36.3 Ų | 36.3 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.3 | -47.7 | 178.8 | -67.4 | 172.2 | 0 | 0 | 0 | 111.4 | V34 Q35 T41 S42 V75 I76 | V34-I38 HydrophobicContact CG1-CD1 4.03Å; V34-I38 WeakPolarHBondContact O-CG1 3.46Å; V34-I38 PolarHBondContact O-N 3.23Å; V34-I38 VanDerWaalsContact O-N 3.07Å; Q35-I38 PolarHBondContact O-N 2.99Å; I38-T41 PolarHBondContact O-N 3.07Å; I38-S42 PolarHBondContact O-N 3Å; I38-S42 PolarHBondContact O-OG 3.47Å; I38-V75 HydrophobicContact CG2-CG1 4.13Å; I38-I76 HydrophobicContact CG2-CD1 3.72Å |
| 39 | I | 97.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.6 | -34.3 | -178.6 | -156.9 | 69.7 | 0 | 0 | 0 | 111.4 | Q35 I36 L37 S42 C43 I76 C107 Q110 L111 L114 | Q35-I39 WeakPolarHBondContact O-CB 3.3Å; Q35-I39 WeakPolarHBondContact O-CG2 2.98Å; Q35-I39 PolarHBondContact O-N 3.23Å; I36-I39 WeakPolarHBondContact O-CG2 3.46Å; L37-I39 PolarHBondContact O-N 2.88Å; I39-S42 WeakPolarHBondContact O-CB 3.34Å; I39-S42 PolarHBondContact O-N 2.93Å; I39-C43 PolarHBondContact O-N 3.04Å; I39-C43 PolarHBondContact O-SG 3.01Å; I39-C43 VanDerWaalsContact O-SG 3.38Å; I39-I76 HydrophobicContact CD1-CD1 3.35Å; I39-I76 HydrophobicContact CD1-CG1 3.78Å; I39-C107 HydrophobicContact CD1-CB 3.91Å; I39-C107 HydrophobicContact CG1-CB 4.13Å; I39-Q110 HydrophobicContact CD1-CB 4.31Å; I39-Q110 HydrophobicContact CD1-CG 4.31Å; I39-Q110 HydrophobicContact CG1-CB 4.37Å; I39-Q110 HydrophobicContact CG1-CG 4.43Å; I39-L111 HydrophobicContact CG1-CB 4.28Å; I39-L111 HydrophobicContact CG2-CB 3.86Å; I39-L111 HydrophobicContact CG2-CD1 3.56Å; I39-L111 HydrophobicContact CG2-CG 4.25Å; I39-L114 HydrophobicContact CG2-CD1 4.46Å |
| 40 | S | 97 | Very high | 96.1 | Very high | 51 Ų | 51 | 38.4 Ų | 38.4 | 36% | 0.357 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.4 | -62 | 0 | 0 | 0 | 0 | 111.2 | I36 L37 S42 C43 A44 | I36-S40 WeakPolarHBondContact O-CB 2.99Å; I36-S40 PolarHBondContact O-N 2.86Å; I36-S40 PolarHBondContact O-OG 2.89Å; L37-S40 PolarHBondContact O-N 2.94Å; S40-S42 VanDerWaalsContact C-N 3.28Å; S40-S42 PolarHBondContact O-N 3.48Å; S40-C43 PolarHBondContact O-N 2.67Å; S40-A44 WeakPolarHBondContact O-CB 3.29Å; S40-A44 PolarHBondContact O-N 3.01Å |
| 41 | T | 96 | Very high | 95.9 | Very high | 46 Ų | 46 | 36.7 Ų | 36.7 | 28% | 0.282 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59 | -41.8 | 171.1 | -57.9 | 0 | 0 | 0 | 0 | 111 | L37 I38 A44 Q45 F70 V75 | L37-T41 PolarHBondContact O-N 3.38Å; L37-T41 PolarHBondContact O-OG1 3.09Å; L37-T41 VanDerWaalsContact O-OG1 3.06Å; I38-T41 PolarHBondContact O-N 3.07Å; T41-A44 WeakPolarHBondContact O-CB 3.48Å; T41-A44 PolarHBondContact O-N 3.32Å; T41-Q45 WeakPolarHBondContact O-CG 3.42Å; T41-Q45 PolarHBondContact O-N 2.88Å; T41-F70 HydrophobicContact CG2-CE2 3.71Å; T41-F70 HydrophobicContact CG2-CZ 4.22Å; T41-V75 HydrophobicContact CG2-CG2 4.26Å |
| 42 | S | 95.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.2 | -41.5 | 179.2 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | I38 I39 S40 A44 Q45 H46 I76 | I38-S42 PolarHBondContact O-N 3Å; I38-S42 PolarHBondContact O-OG 3.47Å; I39-S42 WeakPolarHBondContact O-CB 3.34Å; I39-S42 PolarHBondContact O-N 2.93Å; S40-S42 VanDerWaalsContact C-N 3.28Å; S40-S42 PolarHBondContact O-N 3.48Å; S42-A44 VanDerWaalsContact C-N 3.28Å; S42-A44 PolarHBondContact O-N 3.24Å; S42-Q45 WeakPolarHBondContact O-CB 3.23Å; S42-Q45 PolarHBondContact O-N 2.89Å; S42-Q45 VanDerWaalsContact O-N 3.16Å; S42-H46 PolarHBondContact O-CD2 3.49Å; S42-H46 PolarHBondContact O-N 3.43Å; S42-I76 WeakPolarHBondContact OG-CB 3.31Å |
| 43 | C | 96.6 | Very high | 95.1 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 169.6 | -73.6 | 0 | 0 | 0 | 0 | 111.7 | I39 S40 Q45 H46 A47 | I39-C43 PolarHBondContact O-N 3.04Å; I39-C43 PolarHBondContact O-SG 3.01Å; I39-C43 VanDerWaalsContact O-SG 3.38Å; S40-C43 PolarHBondContact O-N 2.67Å; C43-Q45 VanDerWaalsContact C-N 3.33Å; C43-Q45 PolarHBondContact O-N 3.27Å; C43-H46 WeakPolarHBondContact O-CB 3.47Å; C43-H46 PolarHBondContact O-N 3.02Å; C43-A47 PolarHBondContact O-N 3.31Å |
| 44 | A | 95.6 | Very high | 94.6 | Very high | 43 Ų | 43 | 45.6 Ų | 45.6 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.5 | -34.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S40 T41 S42 H46 A47 Y48 F70 | S40-A44 WeakPolarHBondContact O-CB 3.29Å; S40-A44 PolarHBondContact O-N 3.01Å; T41-A44 WeakPolarHBondContact O-CB 3.48Å; T41-A44 PolarHBondContact O-N 3.32Å; S42-A44 VanDerWaalsContact C-N 3.28Å; S42-A44 PolarHBondContact O-N 3.24Å; A44-H46 VanDerWaalsContact C-N 3.35Å; A44-A47 PolarHBondContact O-N 3.09Å; A44-Y48 WeakPolarHBondContact O-CB 3.47Å; A44-Y48 PolarHBondContact O-N 2.98Å; A44-F70 HydrophobicContact CB-CE1 4.36Å; A44-F70 HydrophobicContact CB-CZ 3.98Å |
| 45 | Q | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 172.2 | -67.4 | 178 | -53.7 | 0 | 0 | 111.5 | T41 S42 C43 Y48 S49 F57 F70 L71 V73 | T41-Q45 WeakPolarHBondContact O-CG 3.42Å; T41-Q45 PolarHBondContact O-N 2.88Å; S42-Q45 WeakPolarHBondContact O-CB 3.23Å; S42-Q45 PolarHBondContact O-N 2.89Å; S42-Q45 VanDerWaalsContact O-N 3.16Å; C43-Q45 VanDerWaalsContact C-N 3.33Å; C43-Q45 PolarHBondContact O-N 3.27Å; Q45-Y48 PolarHBondContact O-N 2.8Å; Q45-S49 WeakPolarHBondContact O-CB 3.36Å; Q45-S49 PolarHBondContact O-N 3.31Å; Q45-F57 HydrophobicContact CB-CE2 4.36Å; Q45-F70 VanDerWaalsContact CA-CE1 3.48Å; Q45-F70 HydrophobicContact CB-CE1 4.09Å; Q45-F70 HydrophobicContact CB-CZ 4.19Å; Q45-F70 HydrophobicContact CG-CD1 4.08Å; Q45-F70 HydrophobicContact CG-CD2 4.17Å; Q45-F70 HydrophobicContact CG-CE1 3.55Å; Q45-F70 HydrophobicContact CG-CE2 3.63Å; Q45-F70 HydrophobicContact CG-CG 4.37Å; Q45-F70 HydrophobicContact CG-CZ 3.29Å; Q45-F70 PolarHBondContact NE2-O 3.13Å; Q45-L71 HydrophobicContact CB-CD2 4.41Å; Q45-L71 WeakPolarHBondContact O-CD2 3.36Å; Q45-V73 PolarHBondContact NE2-O 3.49Å |
| 46 | H | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -49.4 | 174.7 | -73.2 | -71.8 | 0 | 0 | 0 | 112.1 | S42 C43 A44 Y48 S49 M50 I56 G100 R103 F104 | S42-H46 PolarHBondContact O-CD2 3.49Å; S42-H46 PolarHBondContact O-N 3.43Å; C43-H46 WeakPolarHBondContact O-CB 3.47Å; C43-H46 PolarHBondContact O-N 3.02Å; A44-H46 VanDerWaalsContact C-N 3.35Å; H46-Y48 VanDerWaalsContact C-N 3.29Å; H46-Y48 PolarHBondContact O-N 2.99Å; H46-S49 PolarHBondContact O-N 3.37Å; H46-M50 HydrophobicContact CB-CE 4.32Å; H46-M50 WeakPolarHBondContact O-CB 3.44Å; H46-M50 WeakPolarHBondContact O-CE 3.22Å; H46-M50 WeakPolarHBondContact O-CG 3.49Å; H46-M50 PolarHBondContact O-N 3.29Å; H46-I56 WeakPolarHBondContact CA-O 3.44Å; H46-I56 PolarHBondContact ND1-O 2.86Å; H46-G100 PolarHBondContact CE1-O 2.68Å; H46-R103 PolarHBondContact NE2-NH1 3.33Å; H46-F104 HydrophobicContact CB-CD2 3.75Å; H46-F104 HydrophobicContact CB-CE2 4.13Å; H46-F104 AromaticContact CD2-CD2 3.95Å; H46-F104 AromaticContact CG-CD2 3.62Å; H46-F104 AromaticContact ND1-CD2 3.9Å |
| 47 | A | 94.2 | Very high | 93.5 | Very high | 54 Ų | 54 | 45 Ų | 45 | 45% | 0.446 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | C43 A44 M50 S51 | C43-A47 PolarHBondContact O-N 3.31Å; A44-A47 PolarHBondContact O-N 3.09Å; A47-M50 PolarHBondContact O-N 3.16Å; A47-S51 WeakPolarHBondContact O-CB 3.33Å; A47-S51 PolarHBondContact O-N 3.16Å; A47-S51 PolarHBondContact O-OG 2.91Å |
| 48 | Y | 93.1 | Very high | 93.2 | Very high | 91 Ų | 91 | 40 Ų | 40 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.1 | -48.4 | 178.1 | -173.7 | -99.8 | 0 | 0 | 0 | 111.9 | A44 Q45 H46 M50 S51 L52 S68 F70 L71 | A44-Y48 WeakPolarHBondContact O-CB 3.47Å; A44-Y48 PolarHBondContact O-N 2.98Å; Q45-Y48 PolarHBondContact O-N 2.8Å; H46-Y48 VanDerWaalsContact C-N 3.29Å; H46-Y48 PolarHBondContact O-N 2.99Å; Y48-M50 VanDerWaalsContact C-N 3.32Å; Y48-M50 PolarHBondContact O-N 2.89Å; Y48-S51 PolarHBondContact O-N 2.94Å; Y48-S51 PolarHBondContact O-OG 3.33Å; Y48-L52 HydrophobicContact CD1-CD1 4.07Å; Y48-L52 HydrophobicContact CE1-CD1 3.4Å; Y48-L52 HydrophobicContact CE1-CG 4.35Å; Y48-L52 HydrophobicContact CE2-CD1 4.31Å; Y48-L52 PolarHBondContact O-N 3.3Å; Y48-L52 VanDerWaalsContact O-N 3.14Å; Y48-S68 WeakPolarHBondContact CE1-OG 3.35Å; Y48-F70 HydrophobicContact CD1-CD1 4.21Å; Y48-F70 HydrophobicContact CG-CD1 4.26Å; Y48-L71 HydrophobicContact CD1-CD1 3.66Å; Y48-L71 HydrophobicContact CD1-CD2 4.1Å; Y48-L71 HydrophobicContact CD1-CG 3.72Å; Y48-L71 HydrophobicContact CE1-CD1 3.81Å; Y48-L71 HydrophobicContact CE1-CG 4.09Å |
| 49 | S | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.8 | -45.6 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | Q45 H46 L52 G53 Y54 G55 D58 | Q45-S49 WeakPolarHBondContact O-CB 3.36Å; Q45-S49 PolarHBondContact O-N 3.31Å; H46-S49 PolarHBondContact O-N 3.37Å; S49-L52 PolarHBondContact O-N 3.05Å; S49-G53 PolarHBondContact O-N 3.37Å; S49-Y54 PolarHBondContact O-N 3.4Å; S49-G55 CarbonylContact C-O 3.58Å; S49-G55 WeakPolarHBondContact CB-O 3.31Å; S49-G55 PolarHBondContact OG-O 3.38Å; S49-D58 PolarHBondContact OG-N 3.23Å |
| 50 | M | 94 | Very high | 92.5 | Very high | 81 Ų | 81 | 43.7 Ų | 43.7 | 40% | 0.399 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 178.5 | -70.8 | -173.7 | -70.5 | 0 | 0 | 112.1 | H46 A47 Y48 L52 G53 G55 F104 | H46-M50 HydrophobicContact CB-CE 4.32Å; H46-M50 WeakPolarHBondContact O-CB 3.44Å; H46-M50 WeakPolarHBondContact O-CE 3.22Å; H46-M50 WeakPolarHBondContact O-CG 3.49Å; H46-M50 PolarHBondContact O-N 3.29Å; A47-M50 PolarHBondContact O-N 3.16Å; Y48-M50 VanDerWaalsContact C-N 3.32Å; Y48-M50 PolarHBondContact O-N 2.89Å; M50-L52 PolarHBondContact O-N 3.29Å; M50-G53 PolarHBondContact O-N 3.08Å; M50-G55 WeakPolarHBondContact CG-O 3.35Å; M50-G55 PolarHBondContact N-O 3Å; M50-F104 HydrophobicContact CE-CE2 4.06Å; M50-F104 HydrophobicContact CE-CZ 4.24Å |
| 51 | S | 92 | Very high | 91.7 | Very high | 89 Ų | 89 | 43.7 Ų | 43.7 | 62% | 0.622 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.6 | -28.7 | 179 | 73.8 | 0 | 0 | 0 | 0 | 113.3 | A47 Y48 | A47-S51 WeakPolarHBondContact O-CB 3.33Å; A47-S51 PolarHBondContact O-N 3.16Å; A47-S51 PolarHBondContact O-OG 2.91Å; Y48-S51 PolarHBondContact O-N 2.94Å; Y48-S51 PolarHBondContact O-OG 3.33Å |
| 52 | L | 89.9 | Confident | 90.6 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 40% | 0.403 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -3 | 174.9 | -63.9 | -176.5 | 0 | 0 | 0 | 113.4 | Y48 S49 M50 Y54 | Y48-L52 HydrophobicContact CD1-CD1 4.07Å; Y48-L52 HydrophobicContact CE1-CD1 3.4Å; Y48-L52 HydrophobicContact CE1-CG 4.35Å; Y48-L52 HydrophobicContact CE2-CD1 4.31Å; Y48-L52 PolarHBondContact O-N 3.3Å; Y48-L52 VanDerWaalsContact O-N 3.14Å; S49-L52 PolarHBondContact O-N 3.05Å; M50-L52 PolarHBondContact O-N 3.29Å; L52-Y54 VanDerWaalsContact C-N 3.32Å; L52-Y54 HydrophobicContact CB-CD2 3.72Å; L52-Y54 HydrophobicContact CB-CE2 3.65Å; L52-Y54 HydrophobicContact CB-CG 4.26Å; L52-Y54 HydrophobicContact CD1-CD2 4.05Å; L52-Y54 HydrophobicContact CD1-CE2 3.46Å; L52-Y54 VanDerWaalsContact CD1-CE2 3.46Å; L52-Y54 HydrophobicContact CG-CE2 4.22Å; L52-Y54 PolarHBondContact O-N 2.92Å |
| 53 | G | 87.8 | Confident | 89 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 66% | 0.66 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 15.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S49 M50 G55 | S49-G53 PolarHBondContact O-N 3.37Å; M50-G53 PolarHBondContact O-N 3.08Å; G53-G55 PolarHBondContact O-N 3.47Å |
| 54 | Y | 87.4 | Confident | 87.4 | Confident | 112 Ų | 112 | 55.6 Ų | 55.6 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -79.2 | -4 | 177.8 | -58.9 | -38.7 | 0 | 0 | 0 | 113.8 | S49 L52 D58 Y67 L71 | S49-Y54 PolarHBondContact O-N 3.4Å; L52-Y54 VanDerWaalsContact C-N 3.32Å; L52-Y54 HydrophobicContact CB-CD2 3.72Å; L52-Y54 HydrophobicContact CB-CE2 3.65Å; L52-Y54 HydrophobicContact CB-CG 4.26Å; L52-Y54 HydrophobicContact CD1-CD2 4.05Å; L52-Y54 HydrophobicContact CD1-CE2 3.46Å; L52-Y54 VanDerWaalsContact CD1-CE2 3.46Å; L52-Y54 HydrophobicContact CG-CE2 4.22Å; L52-Y54 PolarHBondContact O-N 2.92Å; Y54-D58 HydrophobicContact CG-CB 4.46Å; Y54-Y67 HydrophobicContact CD2-CE2 4.43Å; Y54-Y67 HydrophobicContact CE2-CE2 4.24Å; Y54-L71 HydrophobicContact CD2-CD1 4.03Å; Y54-L71 HydrophobicContact CE2-CD1 4.37Å |
| 55 | G | 89.1 | Confident | 85.7 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 38% | 0.381 | 34% | 0.344 | S | S | . | . | trans | 99.4 | -167.5 | -174 | 0 | 0 | 0 | 0 | 0 | 112.2 | S49 M50 G53 F57 | S49-G55 CarbonylContact C-O 3.58Å; S49-G55 WeakPolarHBondContact CB-O 3.31Å; S49-G55 PolarHBondContact OG-O 3.38Å; M50-G55 WeakPolarHBondContact CG-O 3.35Å; M50-G55 PolarHBondContact N-O 3Å; G53-G55 PolarHBondContact O-N 3.47Å; G55-F57 PolarHBondContact O-N 3.42Å | ||
| 56 | I | 90.6 | Very high | 84.3 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 16% | 0.159 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -65 | -42.8 | -172.4 | -64.1 | -170.3 | 0 | 0 | 0 | 112.1 | H46 Y101 F104 | H46-I56 WeakPolarHBondContact CA-O 3.44Å; H46-I56 PolarHBondContact ND1-O 2.86Å; I56-Y101 HydrophobicContact CD1-CD1 3.3Å; I56-Y101 HydrophobicContact CD1-CD2 4.15Å; I56-Y101 HydrophobicContact CD1-CE1 3.07Å; I56-Y101 HydrophobicContact CD1-CE2 3.97Å; I56-Y101 HydrophobicContact CD1-CG 3.86Å; I56-Y101 VanDerWaalsContact CD1-CZ 3.42Å; I56-Y101 HydrophobicContact CG1-CE1 4.2Å; I56-Y101 HydrophobicContact CG1-CE2 4.46Å; I56-F104 HydrophobicContact CG2-CB 3.6Å; I56-F104 HydrophobicContact CG2-CD1 4.25Å; I56-F104 HydrophobicContact CG2-CD2 4.45Å; I56-F104 HydrophobicContact CG2-CG 3.86Å |
| 57 | F | 90.9 | Very high | 83 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 1% | 0.013 | 39% | 0.387 | C | S | . | . | trans | -155 | 96.6 | 174.4 | -176.7 | -131.7 | 0 | 0 | 0 | 110.6 | Q45 G55 C59 D74 C92 A94 N95 R103 | Q45-F57 HydrophobicContact CB-CE2 4.36Å; G55-F57 PolarHBondContact O-N 3.42Å; F57-C59 HydrophobicContact CE1-CB 3.77Å; F57-C59 HydrophobicContact CE2-CB 3.8Å; F57-C59 HydrophobicContact CZ-CB 3.34Å; F57-D74 HydrophobicContact CZ-CB 4.48Å; F57-C92 HydrophobicContact CE1-CB 4.16Å; F57-C92 HydrophobicContact CZ-CB 4.48Å; F57-A94 HydrophobicContact CD1-CB 4.41Å; F57-A94 HydrophobicContact CE1-CB 4.3Å; F57-N95 HydrophobicContact CD1-CB 4.09Å; F57-N95 HydrophobicContact CE1-CB 4.42Å; F57-N95 PolarHBondContact O-ND2 2.89Å; F57-N95 PolarHBondContact O-OD1 2.89Å; F57-R103 VanDerWaalsContact CE1-NH1 3.26Å; F57-R103 VanDerWaalsContact CG-NH1 3.33Å | ||
| 58 | D | 90 | Very high | 82.3 | Confident | 12 Ų | 12 | 66.5 Ų | 66.5 | 6% | 0.064 | 37% | 0.374 | C | S | . | . | trans | -92 | 111.2 | 164.4 | -164.9 | 45.3 | 0 | 0 | 0 | 107.7 | S49 Y54 R60 Y67 N95 | S49-D58 PolarHBondContact OG-N 3.23Å; Y54-D58 HydrophobicContact CG-CB 4.46Å; D58-R60 IonicContact OD1-CZ 3.83Å; D58-R60 IonicContact OD1-NE 3.1Å; D58-R60 PolarHBondContact OD1-NE 2.94Å; D58-R60 IonicContact OD1-NH2 3.33Å; D58-R60 PolarHBondContact OD1-NH2 2.94Å; D58-R60 IonicContact OD2-CZ 2.91Å; D58-R60 IonicContact OD2-NE 3.59Å; D58-R60 PolarHBondContact OD2-NE 2.89Å; D58-R60 VanDerWaalsContact OD2-NE 3.1Å; D58-R60 IonicContact OD2-NH2 3.81Å; D58-Y67 WeakPolarHBondContact CB-OH 3.42Å; D58-Y67 PolarHBondContact O-OH 3.41Å; D58-Y67 PolarHBondContact OD2-OH 2.68Å; D58-N95 PolarHBondContact OD1-ND2 3.47Å | ||
| 59 | C | 90.2 | Very high | 81.9 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 40% | 0.395 | C | S | . | . | trans | -118.1 | 129.5 | 164.1 | 159.7 | 0 | 0 | 0 | 0 | 109.5 | F57 L71 K91 C92 N95 | F57-C59 HydrophobicContact CE1-CB 3.77Å; F57-C59 HydrophobicContact CE2-CB 3.8Å; F57-C59 HydrophobicContact CZ-CB 3.34Å; C59-L71 WeakPolarHBondContact CA-O 3.1Å; C59-L71 WeakPolarHBondContact CB-O 3.33Å; C59-L71 PolarHBondContact SG-O 3.35Å; C59-K91 VanDerWaalsContact O-CA 3.24Å; C59-K91 WeakPolarHBondContact O-CA 3.49Å; C59-K91 WeakPolarHBondContact O-CB 3.2Å; C59-C92 HydrophobicContact CB-CB 3.54Å; C59-C92 WeakPolarHBondContact CB-SG 3.49Å; C59-C92 PolarHBondContact O-N 3.43Å; C59-C92 WeakPolarHBondContact SG-CB 3.38Å; C59-C92 CovalentContact SG-SG 2.01Å; C59-C92 PolarHBondContact SG-SG 3.22Å; C59-N95 PolarHBondContact N-ND2 3.25Å; C59-N95 VanDerWaalsContact N-ND2 3.15Å; C59-N95 PolarHBondContact O-ND2 3.43Å; C59-N95 VanDerWaalsContact O-ND2 3.15Å | ||
| 60 | R | 88.9 | Confident | 81.7 | Confident | 103 Ų | 103 | 73.8 Ų | 73.8 | 39% | 0.389 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -140.7 | 141.9 | 178.3 | -57.8 | -175.8 | -171.3 | -149.5 | 2.6 | 110.7 | D58 Y67 D90 K91 | D58-R60 IonicContact OD1-CZ 3.83Å; D58-R60 IonicContact OD1-NE 3.1Å; D58-R60 PolarHBondContact OD1-NE 2.94Å; D58-R60 IonicContact OD1-NH2 3.33Å; D58-R60 PolarHBondContact OD1-NH2 2.94Å; D58-R60 IonicContact OD2-CZ 2.91Å; D58-R60 IonicContact OD2-NE 3.59Å; D58-R60 PolarHBondContact OD2-NE 2.89Å; D58-R60 VanDerWaalsContact OD2-NE 3.1Å; D58-R60 IonicContact OD2-NH2 3.81Å; R60-Y67 HydrophobicContact CB-CE1 4.22Å; R60-D90 WeakPolarHBondContact CA-O 3.43Å; R60-K91 HydrophobicContact CG-CG 4.29Å |
| 61 | F | 81.2 | Confident | 81.5 | Confident | 50 Ų | 50 | 69.9 Ų | 69.9 | 22% | 0.219 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -93.1 | -31.1 | -179.6 | -61.2 | -74.2 | 0 | 0 | 0 | 113.6 | A72 G81 H84 D90 C92 | F61-A72 WeakPolarHBondContact CD1-O 3.34Å; F61-A72 WeakPolarHBondContact CE1-O 3.42Å; F61-G81 VanDerWaalsContact CZ-CA 3.43Å; F61-H84 HydrophobicContact CD2-CB 3.46Å; F61-H84 VanDerWaalsContact CD2-CB 3.46Å; F61-H84 AromaticContact CD2-CG 3.89Å; F61-H84 HydrophobicContact CE2-CB 3.69Å; F61-H84 HydrophobicContact CG-CB 4.14Å; F61-D90 PolarHBondContact N-O 2.89Å; F61-D90 VanDerWaalsContact N-O 3.17Å; F61-C92 HydrophobicContact CZ-CB 4.47Å |
| 62 | N | 71.4 | Confident | 81.3 | Confident | 130 Ų | 130 | 66.5 Ų | 66.5 | 70% | 0.695 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -112.5 | 49.8 | -169.5 | -170.3 | 19 | 0 | 0 | 0 | 113.1 | ||
| 63 | N | 63.4 | Low | 81.4 | Confident | 80 Ų | 80 | 64.3 Ų | 64.3 | 43% | 0.428 | 36% | 0.358 | S | S | . | . | trans | -108.4 | 144.5 | 179.3 | -157.4 | 13.9 | 0 | 0 | 0 | 112.7 | Y67 | N63-Y67 HydrophobicContact CB-CD2 4.4Å; N63-Y67 HydrophobicContact CB-CG 4.09Å; N63-Y67 WeakPolarHBondContact ND2-CD2 3.49Å | ||
| 64 | T | 61.8 | Low | 81.6 | Confident | 111 Ų | 111 | 61.3 Ų | 61.3 | 68% | 0.681 | 33% | 0.327 | S | S | * | . | trans | -58.5 | 157.1 | 178.8 | 53.2 | 0 | 0 | 0 | 0 | 111.1 | N66 Y67 | T64-N66 PolarHBondContact O-N 3.5Å; T64-Y67 PolarHBondContact O-N 3.17Å | ||
| 65 | S | 60.8 | Low | 81.8 | Confident | 123 Ų | 123 | 57 Ų | 57 | 86% | 0.86 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.9 | -2.9 | -160.4 | 56.2 | 0 | 0 | 0 | 0 | 121.4 | ||
| 66 | N | 64.9 | Low | 82 | Confident | 152 Ų | 152 | 55.4 Ų | 55.4 | 81% | 0.813 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -4.5 | -179.5 | -71.7 | -11.1 | 0 | 0 | 0 | 114.4 | T64 | T64-N66 PolarHBondContact O-N 3.5Š|
| 67 | Y | 69.2 | Low | 82.1 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -78.7 | 128.1 | 179.1 | -151.6 | -103.8 | 0 | 0 | 0 | 111 | Y54 D58 R60 N63 T64 H69 L71 | Y54-Y67 HydrophobicContact CD2-CE2 4.43Å; Y54-Y67 HydrophobicContact CE2-CE2 4.24Å; D58-Y67 WeakPolarHBondContact CB-OH 3.42Å; D58-Y67 PolarHBondContact O-OH 3.41Å; D58-Y67 PolarHBondContact OD2-OH 2.68Å; R60-Y67 HydrophobicContact CB-CE1 4.22Å; N63-Y67 HydrophobicContact CB-CD2 4.4Å; N63-Y67 HydrophobicContact CB-CG 4.09Å; N63-Y67 WeakPolarHBondContact ND2-CD2 3.49Å; T64-Y67 PolarHBondContact O-N 3.17Å; Y67-H69 PolarHBondContact O-N 3.14Å; Y67-L71 HydrophobicContact CD1-CB 4.23Å; Y67-L71 HydrophobicContact CE1-CB 3.49Å; Y67-L71 VanDerWaalsContact CE1-CB 3.49Å; Y67-L71 HydrophobicContact CE1-CD1 4.48Å |
| 68 | S | 78 | Confident | 82.2 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | trans | -67 | 130 | -177.4 | 73.1 | 0 | 0 | 0 | 0 | 110 | Y48 F70 L71 A72 | Y48-S68 WeakPolarHBondContact CE1-OG 3.35Å; S68-F70 PolarHBondContact O-N 2.8Å; S68-L71 PolarHBondContact O-N 3.35Å; S68-L71 PolarHBondContact OG-N 2.93Å; S68-A72 PolarHBondContact O-N 3.41Å | ||
| 69 | H | 85 | Confident | 82.3 | Confident | 170 Ų | 170 | 55 Ų | 55 | 79% | 0.787 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -24.4 | 171.7 | -70.7 | -72.1 | 0 | 0 | 0 | 112.3 | Y67 L71 A72 | Y67-H69 PolarHBondContact O-N 3.14Å; H69-L71 VanDerWaalsContact C-N 3.35Å; H69-A72 PolarHBondContact O-N 3.37Å |
| 70 | F | 89 | Confident | 82.3 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 32% | 0.32 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -34.9 | 174.7 | -173.4 | -123.4 | 0 | 0 | 0 | 113.8 | T41 A44 Q45 Y48 S68 | T41-F70 HydrophobicContact CG2-CE2 3.71Å; T41-F70 HydrophobicContact CG2-CZ 4.22Å; A44-F70 HydrophobicContact CB-CE1 4.36Å; A44-F70 HydrophobicContact CB-CZ 3.98Å; Q45-F70 VanDerWaalsContact CA-CE1 3.48Å; Q45-F70 HydrophobicContact CB-CE1 4.09Å; Q45-F70 HydrophobicContact CB-CZ 4.19Å; Q45-F70 HydrophobicContact CG-CD1 4.08Å; Q45-F70 HydrophobicContact CG-CD2 4.17Å; Q45-F70 HydrophobicContact CG-CE1 3.55Å; Q45-F70 HydrophobicContact CG-CE2 3.63Å; Q45-F70 HydrophobicContact CG-CG 4.37Å; Q45-F70 HydrophobicContact CG-CZ 3.29Å; Q45-F70 PolarHBondContact NE2-O 3.13Å; Y48-F70 HydrophobicContact CD1-CD1 4.21Å; Y48-F70 HydrophobicContact CG-CD1 4.26Å; S68-F70 PolarHBondContact O-N 2.8Å |
| 71 | L | 89.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -10.1 | 174.7 | -70.8 | 176 | 0 | 0 | 0 | 112.7 | Q45 Y48 Y54 C59 Y67 S68 H69 V73 | Q45-L71 HydrophobicContact CB-CD2 4.41Å; Q45-L71 WeakPolarHBondContact O-CD2 3.36Å; Y48-L71 HydrophobicContact CD1-CD1 3.66Å; Y48-L71 HydrophobicContact CD1-CD2 4.1Å; Y48-L71 HydrophobicContact CD1-CG 3.72Å; Y48-L71 HydrophobicContact CE1-CD1 3.81Å; Y48-L71 HydrophobicContact CE1-CG 4.09Å; Y54-L71 HydrophobicContact CD2-CD1 4.03Å; Y54-L71 HydrophobicContact CE2-CD1 4.37Å; C59-L71 WeakPolarHBondContact CA-O 3.1Å; C59-L71 WeakPolarHBondContact CB-O 3.33Å; C59-L71 PolarHBondContact SG-O 3.35Å; Y67-L71 HydrophobicContact CD1-CB 4.23Å; Y67-L71 HydrophobicContact CE1-CB 3.49Å; Y67-L71 VanDerWaalsContact CE1-CB 3.49Å; Y67-L71 HydrophobicContact CE1-CD1 4.48Å; S68-L71 PolarHBondContact O-N 3.35Å; S68-L71 PolarHBondContact OG-N 2.93Å; H69-L71 VanDerWaalsContact C-N 3.35Å; L71-V73 PolarHBondContact O-N 3.01Å |
| 72 | A | 88.5 | Confident | 82.8 | Confident | 18 Ų | 18 | 52 Ų | 52 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -81 | 6.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F61 S68 H69 | F61-A72 WeakPolarHBondContact CD1-O 3.34Å; F61-A72 WeakPolarHBondContact CE1-O 3.42Å; S68-A72 PolarHBondContact O-N 3.41Å; H69-A72 PolarHBondContact O-N 3.37Å |
| 73 | V | 91 | Very high | 83.8 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 19% | 0.188 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -142.6 | 151.5 | -177.6 | -60 | 0 | 0 | 0 | 0 | 110.6 | Q45 L71 V75 Y80 | Q45-V73 PolarHBondContact NE2-O 3.49Å; L71-V73 PolarHBondContact O-N 3.01Å; V73-V75 HydrophobicContact CG2-CG2 4.05Å; V73-Y80 HydrophobicContact CB-CD1 3.81Å; V73-Y80 HydrophobicContact CB-CE1 4.01Å; V73-Y80 HydrophobicContact CG1-CD1 3.56Å; V73-Y80 HydrophobicContact CG1-CE1 4.11Å; V73-Y80 HydrophobicContact CG1-CG 4.39Å; V73-Y80 HydrophobicContact CG2-CD1 4.46Å; V73-Y80 HydrophobicContact CG2-CE1 4.2Å |
| 74 | D | 92.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -106.4 | 102.6 | 168.7 | -164.1 | -30.3 | 0 | 0 | 0 | 110.3 | F57 I76 V77 F78 D79 C92 R103 | F57-D74 HydrophobicContact CZ-CB 4.48Å; D74-I76 VanDerWaalsContact C-N 3.34Å; D74-I76 PolarHBondContact O-N 2.86Å; D74-I76 WeakPolarHBondContact OD1-CG2 3.48Å; D74-I76 PolarHBondContact OD1-N 3.42Å; D74-I76 VanDerWaalsContact OD1-N 3.11Å; D74-V77 HydrophobicContact CB-CB 4.34Å; D74-V77 PolarHBondContact OD1-N 2.89Å; D74-V77 VanDerWaalsContact OD1-N 3.11Å; D74-V77 WeakPolarHBondContact OD2-CG2 3.1Å; D74-F78 CarbonylContact O-C 3.32Å; D74-F78 WeakPolarHBondContact O-CA 3.25Å; D74-F78 PolarHBondContact O-N 3.12Å; D74-D79 HydrophobicContact CB-CB 3.76Å; D74-D79 PolarHBondContact N-O 2.92Å; D74-D79 PolarHBondContact O-N 3.06Å; D74-C92 HydrophobicContact CB-CB 4.34Å; D74-R103 IonicContact OD1-CZ 3.57Å; D74-R103 IonicContact OD1-NE 2.93Å; D74-R103 PolarHBondContact OD1-NE 3.43Å; D74-R103 IonicContact OD1-NH2 3.84Å; D74-R103 PolarHBondContact OD1-NH2 3.03Å; D74-R103 WeakPolarHBondContact OD2-CD 3.48Å; D74-R103 IonicContact OD2-CZ 3.9Å; D74-R103 IonicContact OD2-NE 2.75Å; D74-R103 PolarHBondContact OD2-NE 3.49Å; D74-R103 IonicContact OD2-NH2 3.2Å |
| 75 | V | 92 | Very high | 86.4 | Confident | 21 Ų | 21 | 42.2 Ų | 42.2 | 13% | 0.127 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -27.9 | -176 | -174.1 | 0 | 0 | 0 | 0 | 112.2 | I38 T41 V73 | I38-V75 HydrophobicContact CG2-CG1 4.13Å; T41-V75 HydrophobicContact CG2-CG2 4.26Å; V73-V75 HydrophobicContact CG2-CG2 4.05Å |
| 76 | I | 93 | Very high | 87.9 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -32 | -179.1 | -158.7 | 66.3 | 0 | 0 | 0 | 112.3 | I38 I39 S42 D74 F78 R103 Y141 | I38-I76 HydrophobicContact CG2-CD1 3.72Å; I39-I76 HydrophobicContact CD1-CD1 3.35Å; I39-I76 HydrophobicContact CD1-CG1 3.78Å; S42-I76 WeakPolarHBondContact OG-CB 3.31Å; D74-I76 VanDerWaalsContact C-N 3.34Å; D74-I76 PolarHBondContact O-N 2.86Å; D74-I76 WeakPolarHBondContact OD1-CG2 3.48Å; D74-I76 PolarHBondContact OD1-N 3.42Å; D74-I76 VanDerWaalsContact OD1-N 3.11Å; I76-F78 VanDerWaalsContact C-N 3.33Å; I76-R103 HydrophobicContact CG2-CG 3.99Å; I76-Y141 HydrophobicContact CD1-CE1 4.28Å; I76-Y141 HydrophobicContact CD1-CE2 4.38Å; I76-Y141 VanDerWaalsContact CD1-OH 3.27Å; I76-Y141 WeakPolarHBondContact CD1-OH 3.12Å; I76-Y141 HydrophobicContact CG1-CE2 4Å; I76-Y141 PolarHBondContact O-OH 3.17Å |
| 77 | V | 92.2 | Very high | 89.1 | Confident | 18 Ų | 18 | 33.5 Ų | 33.5 | 11% | 0.109 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -2.3 | 176.1 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | D74 D79 F83 V93 L145 L148 Y174 | D74-V77 HydrophobicContact CB-CB 4.34Å; D74-V77 PolarHBondContact OD1-N 2.89Å; D74-V77 VanDerWaalsContact OD1-N 3.11Å; D74-V77 WeakPolarHBondContact OD2-CG2 3.1Å; V77-D79 PolarHBondContact O-N 3.36Å; V77-F83 HydrophobicContact CG1-CE2 4.41Å; V77-V93 HydrophobicContact CB-CG1 4.33Å; V77-V93 HydrophobicContact CG1-CG1 3.67Å; V77-L145 HydrophobicContact CG1-CD2 4.37Å; V77-L148 HydrophobicContact CG1-CD1 3.6Å; V77-Y174 VanDerWaalsContact O-CD2 3.29Å; V77-Y174 WeakPolarHBondContact O-CD2 3.38Å; V77-Y174 VanDerWaalsContact O-CE2 3.25Å; V77-Y174 WeakPolarHBondContact O-CE2 3.06Å |
| 78 | F | 93.4 | Very high | 89.9 | Confident | 19 Ų | 19 | 35.1 Ų | 35.1 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 35.7 | -172.8 | -50.9 | -82 | 0 | 0 | 0 | 112.4 | D74 I76 Y80 L145 I173 Y174 N181 | D74-F78 CarbonylContact O-C 3.32Å; D74-F78 WeakPolarHBondContact O-CA 3.25Å; D74-F78 PolarHBondContact O-N 3.12Å; I76-F78 VanDerWaalsContact C-N 3.33Å; F78-Y80 HydrophobicContact CB-CE2 4.48Å; F78-Y80 PolarHBondContact O-N 3.4Å; F78-L145 HydrophobicContact CD2-CD1 4.37Å; F78-L145 HydrophobicContact CD2-CD2 4.42Å; F78-L145 HydrophobicContact CE2-CD1 4.01Å; F78-I173 HydrophobicContact CB-CG2 4.48Å; F78-Y174 HydrophobicContact CB-CD2 4.13Å; F78-N181 WeakPolarHBondContact CE2-ND2 3.06Å |
| 79 | D | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -93 | 92.1 | 176.4 | -174.6 | 10.7 | 0 | 0 | 0 | 110.2 | D74 V77 G81 L82 F83 C92 V93 | D74-D79 HydrophobicContact CB-CB 3.76Å; D74-D79 PolarHBondContact N-O 2.92Å; D74-D79 PolarHBondContact O-N 3.06Å; V77-D79 PolarHBondContact O-N 3.36Å; D79-G81 VanDerWaalsContact C-N 3.3Å; D79-G81 PolarHBondContact OD1-N 3.41Å; D79-G81 VanDerWaalsContact OD1-N 3.11Å; D79-L82 PolarHBondContact OD1-N 3.47Å; D79-L82 VanDerWaalsContact OD1-N 3.17Å; D79-F83 HydrophobicContact CB-CD2 3.81Å; D79-F83 HydrophobicContact CB-CE2 4.19Å; D79-F83 PolarHBondContact OD1-N 3.41Å; D79-C92 WeakPolarHBondContact OD2-CA 3.31Å; D79-V93 HydrophobicContact CB-CG1 4.38Å; D79-V93 PolarHBondContact OD2-N 2.84Å |
| 80 | Y | 90.4 | Very high | 90.6 | Very high | 87 Ų | 87 | 31.4 Ų | 31.4 | 34% | 0.341 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -97 | 26.9 | 174.9 | -67.2 | -92.3 | 0 | 0 | 0 | 112.2 | V73 F78 I173 | V73-Y80 HydrophobicContact CB-CD1 3.81Å; V73-Y80 HydrophobicContact CB-CE1 4.01Å; V73-Y80 HydrophobicContact CG1-CD1 3.56Å; V73-Y80 HydrophobicContact CG1-CE1 4.11Å; V73-Y80 HydrophobicContact CG1-CG 4.39Å; V73-Y80 HydrophobicContact CG2-CD1 4.46Å; V73-Y80 HydrophobicContact CG2-CE1 4.2Å; F78-Y80 HydrophobicContact CB-CE2 4.48Å; F78-Y80 PolarHBondContact O-N 3.4Å; Y80-I173 HydrophobicContact CD2-CG2 3.72Å; Y80-I173 HydrophobicContact CE2-CG2 3.77Å |
| 81 | G | 89.6 | Confident | 90.6 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 5% | 0.052 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 105.6 | 6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F61 D79 H84 Q85 | F61-G81 VanDerWaalsContact CZ-CA 3.43Å; D79-G81 VanDerWaalsContact C-N 3.3Å; D79-G81 PolarHBondContact OD1-N 3.41Å; D79-G81 VanDerWaalsContact OD1-N 3.11Å; G81-H84 PolarHBondContact O-N 3.47Å; G81-Q85 VanDerWaalsContact O-CG 3.24Å; G81-Q85 WeakPolarHBondContact O-CG 3.3Å; G81-Q85 PolarHBondContact O-N 3.07Å |
| 82 | L | 92.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -52.1 | 176.7 | -178.4 | 57.3 | 0 | 0 | 0 | 110.2 | D79 H84 Q85 L86 M156 N170 T171 Y174 | D79-L82 PolarHBondContact OD1-N 3.47Å; D79-L82 VanDerWaalsContact OD1-N 3.17Å; L82-H84 VanDerWaalsContact C-N 3.3Å; L82-H84 PolarHBondContact O-N 2.74Å; L82-Q85 PolarHBondContact O-N 3.07Å; L82-L86 HydrophobicContact CD1-CD1 3.74Å; L82-L86 HydrophobicContact CD1-CG 4.12Å; L82-L86 HydrophobicContact CD2-CD1 4.49Å; L82-L86 HydrophobicContact CG-CD1 3.74Å; L82-L86 HydrophobicContact CG-CG 4.44Å; L82-L86 WeakPolarHBondContact O-CG 3.38Å; L82-L86 PolarHBondContact O-N 3.5Å; L82-M156 HydrophobicContact CD1-CE 4.5Å; L82-M156 HydrophobicContact CD2-CE 4.04Å; L82-N170 HydrophobicContact CB-CB 3.99Å; L82-N170 HydrophobicContact CD1-CB 4.02Å; L82-T171 WeakPolarHBondContact CD1-OG1 3.21Å; L82-Y174 HydrophobicContact CD2-CD1 4.21Å; L82-Y174 HydrophobicContact CD2-CD2 4.18Å; L82-Y174 HydrophobicContact CD2-CG 3.72Å |
| 83 | F | 91.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72.2 | -28.8 | -175.2 | -66 | -90.8 | 0 | 0 | 0 | 111.6 | V77 D79 L86 L87 V93 L148 T152 Y174 | V77-F83 HydrophobicContact CG1-CE2 4.41Å; D79-F83 HydrophobicContact CB-CD2 3.81Å; D79-F83 HydrophobicContact CB-CE2 4.19Å; D79-F83 PolarHBondContact OD1-N 3.41Å; F83-L86 PolarHBondContact O-N 2.89Å; F83-L87 HydrophobicContact CB-CD1 4.41Å; F83-L87 HydrophobicContact CD1-CD1 4.23Å; F83-L87 VanDerWaalsContact O-CB 3.27Å; F83-L87 WeakPolarHBondContact O-CB 3.3Å; F83-L87 PolarHBondContact O-N 3.22Å; F83-V93 HydrophobicContact CB-CB 4.08Å; F83-V93 HydrophobicContact CD1-CB 4.1Å; F83-V93 HydrophobicContact CD1-CG2 4.01Å; F83-V93 HydrophobicContact CD2-CB 3.95Å; F83-V93 HydrophobicContact CD2-CG1 3.9Å; F83-V93 HydrophobicContact CE1-CG2 4.24Å; F83-V93 HydrophobicContact CE2-CB 4.4Å; F83-V93 HydrophobicContact CE2-CG1 3.98Å; F83-V93 HydrophobicContact CG-CB 3.78Å; F83-V93 HydrophobicContact CG-CG1 4.25Å; F83-V93 HydrophobicContact CG-CG2 4.21Å; F83-V93 HydrophobicContact CZ-CG1 4.41Å; F83-L148 HydrophobicContact CZ-CB 4.37Å; F83-T152 HydrophobicContact CD1-CG2 3.76Å; F83-T152 HydrophobicContact CE1-CG2 3.48Å; F83-T152 VanDerWaalsContact CE1-CG2 3.48Å; F83-Y174 HydrophobicContact CE2-CD2 4.19Å; F83-Y174 AromaticContact CE2-CE2 3.93Å; F83-Y174 HydrophobicContact CE2-CE2 3.93Å; F83-Y174 HydrophobicContact CZ-CD2 4.45Å; F83-Y174 AromaticContact CZ-CE2 3.85Å; F83-Y174 HydrophobicContact CZ-CE2 3.85Å |
| 84 | H | 90.1 | Very high | 90.8 | Very high | 60 Ų | 60 | 29.9 Ų | 29.9 | 28% | 0.278 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.2 | -49.5 | 168.1 | 173.9 | 68.6 | 0 | 0 | 0 | 112 | F61 G81 L82 L86 G88 T89 | F61-H84 HydrophobicContact CD2-CB 3.46Å; F61-H84 VanDerWaalsContact CD2-CB 3.46Å; F61-H84 AromaticContact CD2-CG 3.89Å; F61-H84 HydrophobicContact CE2-CB 3.69Å; F61-H84 HydrophobicContact CG-CB 4.14Å; G81-H84 PolarHBondContact O-N 3.47Å; L82-H84 VanDerWaalsContact C-N 3.3Å; L82-H84 PolarHBondContact O-N 2.74Å; H84-L86 VanDerWaalsContact C-N 3.3Å; H84-L86 PolarHBondContact O-N 2.82Å; H84-G88 WeakPolarHBondContact O-CA 3.35Å; H84-G88 PolarHBondContact O-N 3.33Å; H84-T89 WeakPolarHBondContact CA-O 3.42Å; H84-T89 WeakPolarHBondContact CB-O 3.41Å; H84-T89 PolarHBondContact ND1-O 3.35Å |
| 85 | Q | 90.5 | Very high | 90.8 | Very high | 53 Ų | 53 | 30.5 Ų | 30.5 | 25% | 0.248 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.2 | -32.5 | 179.6 | -69.6 | 169.5 | -29.7 | 0 | 0 | 113 | G81 L82 R163 E166 I167 N170 | G81-Q85 VanDerWaalsContact O-CG 3.24Å; G81-Q85 WeakPolarHBondContact O-CG 3.3Å; G81-Q85 PolarHBondContact O-N 3.07Å; L82-Q85 PolarHBondContact O-N 3.07Å; Q85-R163 PolarHBondContact O-NH2 3.25Å; Q85-E166 PolarHBondContact NE2-O 2.86Å; Q85-E166 PolarHBondContact OE1-O 3.21Å; Q85-I167 HydrophobicContact CB-CG2 3.93Å; Q85-N170 PolarHBondContact OE1-ND2 3.04Å |
| 86 | L | 91.3 | Very high | 90.7 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 6% | 0.058 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -86 | -44 | -176.5 | -65.5 | 173.9 | 0 | 0 | 0 | 113.7 | L82 F83 H84 K155 M156 I167 | L82-L86 HydrophobicContact CD1-CD1 3.74Å; L82-L86 HydrophobicContact CD1-CG 4.12Å; L82-L86 HydrophobicContact CD2-CD1 4.49Å; L82-L86 HydrophobicContact CG-CD1 3.74Å; L82-L86 HydrophobicContact CG-CG 4.44Å; L82-L86 WeakPolarHBondContact O-CG 3.38Å; L82-L86 PolarHBondContact O-N 3.5Å; F83-L86 PolarHBondContact O-N 2.89Å; H84-L86 VanDerWaalsContact C-N 3.3Å; H84-L86 PolarHBondContact O-N 2.82Å; L86-K155 HydrophobicContact CB-CB 4.37Å; L86-K155 HydrophobicContact CD2-CB 4.44Å; L86-M156 HydrophobicContact CD1-CG 3.37Å; L86-M156 HydrophobicContact CD1-SD 4.33Å; L86-M156 HydrophobicContact CD2-CB 4.46Å; L86-M156 HydrophobicContact CD2-CG 4.06Å; L86-M156 HydrophobicContact CG-CG 4.36Å; L86-I167 HydrophobicContact CD2-CD1 4.29Å |
| 87 | L | 89.6 | Confident | 90.6 | Very high | 82 Ų | 82 | 40 Ų | 40 | 43% | 0.429 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -102 | -13 | -172.7 | -55.9 | 178.4 | 0 | 0 | 0 | 112.6 | F83 T89 | F83-L87 HydrophobicContact CB-CD1 4.41Å; F83-L87 HydrophobicContact CD1-CD1 4.23Å; F83-L87 VanDerWaalsContact O-CB 3.27Å; F83-L87 WeakPolarHBondContact O-CB 3.3Å; F83-L87 PolarHBondContact O-N 3.22Å; L87-T89 VanDerWaalsContact C-N 3.29Å; L87-T89 HydrophobicContact CB-CG2 3.79Å |
| 88 | G | 86.9 | Confident | 90.5 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 60% | 0.598 | 22% | 0.221 | S | C | * | . | trans | 71.1 | 23.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H84 | H84-G88 WeakPolarHBondContact O-CA 3.35Å; H84-G88 PolarHBondContact O-N 3.33Å | ||
| 89 | T | 89 | Confident | 90.3 | Very high | 16 Ų | 16 | 41.7 Ų | 41.7 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | trans | -89.3 | 132.1 | -176.9 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | H84 L87 K91 | H84-T89 WeakPolarHBondContact CA-O 3.42Å; H84-T89 WeakPolarHBondContact CB-O 3.41Å; H84-T89 PolarHBondContact ND1-O 3.35Å; L87-T89 VanDerWaalsContact C-N 3.29Å; L87-T89 HydrophobicContact CB-CG2 3.79Å; T89-K91 PolarHBondContact O-N 2.93Å; T89-K91 VanDerWaalsContact O-N 3.16Å; T89-K91 PolarHBondContact OG1-O 3.38Å | ||
| 90 | D | 88.1 | Confident | 90.3 | Very high | 103 Ų | 103 | 41.7 Ų | 41.7 | 55% | 0.551 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -70.4 | -10.9 | 179.3 | -62.3 | -47 | 0 | 0 | 0 | 114.7 | R60 F61 | R60-D90 WeakPolarHBondContact CA-O 3.43Å; F61-D90 PolarHBondContact N-O 2.89Å; F61-D90 VanDerWaalsContact N-O 3.17Å |
| 91 | K | 90.3 | Very high | 90.4 | Very high | 71 Ų | 71 | 44.1 Ų | 44.1 | 31% | 0.309 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -116.2 | 155 | -174.8 | -67.5 | 175.5 | 171.6 | -167.2 | 0 | 111.5 | C59 R60 T89 N95 H96 | C59-K91 VanDerWaalsContact O-CA 3.24Å; C59-K91 WeakPolarHBondContact O-CA 3.49Å; C59-K91 WeakPolarHBondContact O-CB 3.2Å; R60-K91 HydrophobicContact CG-CG 4.29Å; T89-K91 PolarHBondContact O-N 2.93Å; T89-K91 VanDerWaalsContact O-N 3.16Å; T89-K91 PolarHBondContact OG1-O 3.38Å; K91-N95 HydrophobicContact CB-CB 4.31Å; K91-N95 WeakPolarHBondContact CD-ND2 3.5Å; K91-H96 HydrophobicContact CB-CB 4.48Å |
| 92 | C | 91.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -57 | 151.9 | 168 | -75.2 | 0 | 0 | 0 | 0 | 111.1 | F57 C59 F61 D74 D79 A94 N95 H96 | F57-C92 HydrophobicContact CE1-CB 4.16Å; F57-C92 HydrophobicContact CZ-CB 4.48Å; C59-C92 HydrophobicContact CB-CB 3.54Å; C59-C92 WeakPolarHBondContact CB-SG 3.49Å; C59-C92 PolarHBondContact O-N 3.43Å; C59-C92 WeakPolarHBondContact SG-CB 3.38Å; C59-C92 CovalentContact SG-SG 2.01Å; C59-C92 PolarHBondContact SG-SG 3.22Å; F61-C92 HydrophobicContact CZ-CB 4.47Å; D74-C92 HydrophobicContact CB-CB 4.34Å; D79-C92 WeakPolarHBondContact OD2-CA 3.31Å; C92-A94 VanDerWaalsContact C-N 3.33Å; C92-A94 PolarHBondContact O-N 3.34Å; C92-N95 PolarHBondContact O-N 2.9Å; C92-N95 VanDerWaalsContact O-N 3.09Å; C92-H96 WeakPolarHBondContact O-CB 3.34Å; C92-H96 PolarHBondContact O-N 2.91Å | ||
| 93 | V | 92.2 | Very high | 90.6 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.1 | -43.1 | -177.1 | 66.2 | 0 | 0 | 0 | 0 | 113.5 | V77 D79 F83 H96 L97 L148 | V77-V93 HydrophobicContact CB-CG1 4.33Å; V77-V93 HydrophobicContact CG1-CG1 3.67Å; D79-V93 HydrophobicContact CB-CG1 4.38Å; D79-V93 PolarHBondContact OD2-N 2.84Å; F83-V93 HydrophobicContact CB-CB 4.08Å; F83-V93 HydrophobicContact CD1-CB 4.1Å; F83-V93 HydrophobicContact CD1-CG2 4.01Å; F83-V93 HydrophobicContact CD2-CB 3.95Å; F83-V93 HydrophobicContact CD2-CG1 3.9Å; F83-V93 HydrophobicContact CE1-CG2 4.24Å; F83-V93 HydrophobicContact CE2-CB 4.4Å; F83-V93 HydrophobicContact CE2-CG1 3.98Å; F83-V93 HydrophobicContact CG-CB 3.78Å; F83-V93 HydrophobicContact CG-CG1 4.25Å; F83-V93 HydrophobicContact CG-CG2 4.21Å; F83-V93 HydrophobicContact CZ-CG1 4.41Å; V93-H96 PolarHBondContact O-N 3.42Å; V93-L97 HydrophobicContact CG2-CD1 3.92Å; V93-L97 HydrophobicContact CG2-CG 4.25Å; V93-L97 VanDerWaalsContact O-CG 3.3Å; V93-L97 WeakPolarHBondContact O-CG 3.31Å; V93-L97 PolarHBondContact O-N 2.89Å; V93-L148 HydrophobicContact CG2-CD2 4.24Å |
| 94 | A | 90.2 | Very high | 90.8 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F57 C92 H96 L97 D98 G100 R103 | F57-A94 HydrophobicContact CD1-CB 4.41Å; F57-A94 HydrophobicContact CE1-CB 4.3Å; C92-A94 VanDerWaalsContact C-N 3.33Å; C92-A94 PolarHBondContact O-N 3.34Å; A94-H96 VanDerWaalsContact C-N 3.3Å; A94-H96 PolarHBondContact O-N 3.3Å; A94-L97 PolarHBondContact O-N 3.32Å; A94-D98 PolarHBondContact O-N 3.46Å; A94-G100 PolarHBondContact O-N 3.01Å; A94-G100 VanDerWaalsContact O-N 3.17Å; A94-R103 HydrophobicContact CB-CB 4.08Å; A94-R103 HydrophobicContact CB-CG 4.36Å |
| 95 | N | 92.1 | Very high | 91 | Very high | 14 Ų | 14 | 54.7 Ų | 54.7 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.6 | -36.2 | 175.1 | -174.8 | 12.1 | 0 | 0 | 0 | 111.3 | F57 D58 C59 K91 C92 G99 | F57-N95 HydrophobicContact CD1-CB 4.09Å; F57-N95 HydrophobicContact CE1-CB 4.42Å; F57-N95 PolarHBondContact O-ND2 2.89Å; F57-N95 PolarHBondContact O-OD1 2.89Å; D58-N95 PolarHBondContact OD1-ND2 3.47Å; C59-N95 PolarHBondContact N-ND2 3.25Å; C59-N95 VanDerWaalsContact N-ND2 3.15Å; C59-N95 PolarHBondContact O-ND2 3.43Å; C59-N95 VanDerWaalsContact O-ND2 3.15Å; K91-N95 HydrophobicContact CB-CB 4.31Å; K91-N95 WeakPolarHBondContact CD-ND2 3.5Å; C92-N95 PolarHBondContact O-N 2.9Å; C92-N95 VanDerWaalsContact O-N 3.09Å; N95-G99 WeakPolarHBondContact O-CA 3.33Å; N95-G99 PolarHBondContact O-N 3.03Å |
| 96 | H | 90.6 | Very high | 91.2 | Very high | 103 Ų | 103 | 55.1 Ų | 55.1 | 48% | 0.477 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 178.9 | -175.5 | 72.4 | 0 | 0 | 0 | 113.1 | K91 C92 V93 A94 | K91-H96 HydrophobicContact CB-CB 4.48Å; C92-H96 WeakPolarHBondContact O-CB 3.34Å; C92-H96 PolarHBondContact O-N 2.91Å; V93-H96 PolarHBondContact O-N 3.42Å; A94-H96 VanDerWaalsContact C-N 3.3Å; A94-H96 PolarHBondContact O-N 3.3Å |
| 97 | L | 89.4 | Confident | 91.5 | Very high | 122 Ų | 122 | 54.6 Ų | 54.6 | 64% | 0.639 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -75.6 | -45.8 | -176.8 | -70.9 | 174.8 | 0 | 0 | 0 | 113 | V93 A94 | V93-L97 HydrophobicContact CG2-CD1 3.92Å; V93-L97 HydrophobicContact CG2-CG 4.25Å; V93-L97 VanDerWaalsContact O-CG 3.3Å; V93-L97 WeakPolarHBondContact O-CG 3.31Å; V93-L97 PolarHBondContact O-N 2.89Å; A94-L97 PolarHBondContact O-N 3.32Å |
| 98 | D | 90.7 | Very high | 91.8 | Very high | 51 Ų | 51 | 55 Ų | 55 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -146.4 | 11.4 | -171.7 | 78.8 | -25 | 0 | 0 | 0 | 114.4 | A94 G100 Y101 I102 | A94-D98 PolarHBondContact O-N 3.46Å; D98-G100 PolarHBondContact O-N 3.23Å; D98-G100 VanDerWaalsContact OD1-CA 3.29Å; D98-G100 WeakPolarHBondContact OD1-CA 3.3Å; D98-G100 PolarHBondContact OD1-N 3.08Å; D98-Y101 WeakPolarHBondContact O-CD2 3.48Å; D98-Y101 PolarHBondContact OD1-N 3.43Å; D98-Y101 PolarHBondContact OD2-N 3.08Å; D98-I102 WeakPolarHBondContact OD2-CA 2.98Å; D98-I102 WeakPolarHBondContact OD2-CB 3.38Å; D98-I102 WeakPolarHBondContact OD2-CD1 3.45Å; D98-I102 WeakPolarHBondContact OD2-CG1 3.31Å; D98-I102 PolarHBondContact OD2-N 3.19Å |
| 99 | G | 89.3 | Confident | 92.3 | Very high | 21 Ų | 21 | 55.7 Ų | 55.7 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 10.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N95 | N95-G99 WeakPolarHBondContact O-CA 3.33Å; N95-G99 PolarHBondContact O-N 3.03Å |
| 100 | G | 90.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 16.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | H46 A94 D98 F104 | H46-G100 PolarHBondContact CE1-O 2.68Å; A94-G100 PolarHBondContact O-N 3.01Å; A94-G100 VanDerWaalsContact O-N 3.17Å; D98-G100 PolarHBondContact O-N 3.23Å; D98-G100 VanDerWaalsContact OD1-CA 3.29Å; D98-G100 WeakPolarHBondContact OD1-CA 3.3Å; D98-G100 PolarHBondContact OD1-N 3.08Å; G100-F104 WeakPolarHBondContact O-CB 3.17Å; G100-F104 PolarHBondContact O-N 3.5Å |
| 101 | Y | 93.5 | Very high | 93.2 | Very high | 137 Ų | 137 | 51.8 Ų | 51.8 | 54% | 0.537 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.5 | -48.6 | 179.6 | -79.9 | -103.8 | 0 | 0 | 0 | 112 | I56 D98 R103 F104 I105 | I56-Y101 HydrophobicContact CD1-CD1 3.3Å; I56-Y101 HydrophobicContact CD1-CD2 4.15Å; I56-Y101 HydrophobicContact CD1-CE1 3.07Å; I56-Y101 HydrophobicContact CD1-CE2 3.97Å; I56-Y101 HydrophobicContact CD1-CG 3.86Å; I56-Y101 VanDerWaalsContact CD1-CZ 3.42Å; I56-Y101 HydrophobicContact CG1-CE1 4.2Å; I56-Y101 HydrophobicContact CG1-CE2 4.46Å; D98-Y101 WeakPolarHBondContact O-CD2 3.48Å; D98-Y101 PolarHBondContact OD1-N 3.43Å; D98-Y101 PolarHBondContact OD2-N 3.08Å; Y101-R103 VanDerWaalsContact C-N 3.31Å; Y101-R103 PolarHBondContact O-N 3.14Å; Y101-F104 WeakPolarHBondContact O-CB 3.44Å; Y101-F104 PolarHBondContact O-N 2.86Å; Y101-I105 WeakPolarHBondContact O-CG1 3.49Å; Y101-I105 PolarHBondContact O-N 3.38Å |
| 102 | I | 92.4 | Very high | 93.5 | Very high | 117 Ų | 117 | 50.4 Ų | 50.4 | 60% | 0.6 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | 176.4 | -69.2 | 167.4 | 0 | 0 | 0 | 109.5 | D98 F104 I105 W106 | D98-I102 WeakPolarHBondContact OD2-CA 2.98Å; D98-I102 WeakPolarHBondContact OD2-CB 3.38Å; D98-I102 WeakPolarHBondContact OD2-CD1 3.45Å; D98-I102 WeakPolarHBondContact OD2-CG1 3.31Å; D98-I102 PolarHBondContact OD2-N 3.19Å; I102-F104 VanDerWaalsContact C-N 3.31Å; I102-F104 PolarHBondContact O-N 3.46Å; I102-I105 PolarHBondContact O-N 3.04Å; I102-W106 WeakPolarHBondContact O-CB 3.4Å; I102-W106 PolarHBondContact O-N 2.85Å |
| 103 | R | 93.4 | Very high | 93.8 | Very high | 16 Ų | 16 | 51.1 Ų | 51.1 | 6% | 0.06 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.4 | -43.7 | 174.5 | -177.8 | -175 | -179.1 | -112.7 | -0.7 | 111.8 | H46 F57 D74 I76 A94 Y101 W106 C107 | H46-R103 PolarHBondContact NE2-NH1 3.33Å; F57-R103 VanDerWaalsContact CE1-NH1 3.26Å; F57-R103 VanDerWaalsContact CG-NH1 3.33Å; D74-R103 IonicContact OD1-CZ 3.57Å; D74-R103 IonicContact OD1-NE 2.93Å; D74-R103 PolarHBondContact OD1-NE 3.43Å; D74-R103 IonicContact OD1-NH2 3.84Å; D74-R103 PolarHBondContact OD1-NH2 3.03Å; D74-R103 WeakPolarHBondContact OD2-CD 3.48Å; D74-R103 IonicContact OD2-CZ 3.9Å; D74-R103 IonicContact OD2-NE 2.75Å; D74-R103 PolarHBondContact OD2-NE 3.49Å; D74-R103 IonicContact OD2-NH2 3.2Å; I76-R103 HydrophobicContact CG2-CG 3.99Å; A94-R103 HydrophobicContact CB-CB 4.08Å; A94-R103 HydrophobicContact CB-CG 4.36Å; Y101-R103 VanDerWaalsContact C-N 3.31Å; Y101-R103 PolarHBondContact O-N 3.14Å; R103-W106 WeakPolarHBondContact O-CB 3.31Å; R103-W106 PolarHBondContact O-N 3.25Å; R103-C107 PolarHBondContact O-N 3.31Å; R103-C107 PolarHBondContact O-SG 2.89Å |
| 104 | F | 95.4 | Very high | 94.1 | Very high | 52 Ų | 52 | 50.8 Ų | 50.8 | 23% | 0.228 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -51.1 | 178.7 | 176.6 | -118.8 | 0 | 0 | 0 | 112.1 | H46 M50 I56 G100 Y101 I102 W106 C107 L108 | H46-F104 HydrophobicContact CB-CD2 3.75Å; H46-F104 HydrophobicContact CB-CE2 4.13Å; H46-F104 AromaticContact CD2-CD2 3.95Å; H46-F104 AromaticContact CG-CD2 3.62Å; H46-F104 AromaticContact ND1-CD2 3.9Å; M50-F104 HydrophobicContact CE-CE2 4.06Å; M50-F104 HydrophobicContact CE-CZ 4.24Å; I56-F104 HydrophobicContact CG2-CB 3.6Å; I56-F104 HydrophobicContact CG2-CD1 4.25Å; I56-F104 HydrophobicContact CG2-CD2 4.45Å; I56-F104 HydrophobicContact CG2-CG 3.86Å; G100-F104 WeakPolarHBondContact O-CB 3.17Å; G100-F104 PolarHBondContact O-N 3.5Å; Y101-F104 WeakPolarHBondContact O-CB 3.44Å; Y101-F104 PolarHBondContact O-N 2.86Å; I102-F104 VanDerWaalsContact C-N 3.31Å; I102-F104 PolarHBondContact O-N 3.46Å; F104-W106 VanDerWaalsContact C-N 3.28Å; F104-W106 PolarHBondContact O-N 2.93Å; F104-C107 PolarHBondContact O-N 3.21Å; F104-C107 VanDerWaalsContact O-N 3.17Å; F104-L108 HydrophobicContact CD1-CD1 4.47Å; F104-L108 HydrophobicContact CE1-CD1 3.88Å; F104-L108 HydrophobicContact CE2-CD1 4.1Å; F104-L108 HydrophobicContact CE2-CD2 4.39Å; F104-L108 HydrophobicContact CE2-CG 4.25Å; F104-L108 HydrophobicContact CZ-CD1 3.68Å; F104-L108 HydrophobicContact CZ-CG 4.33Å; F104-L108 PolarHBondContact O-N 3.47Å; F104-L108 VanDerWaalsContact O-N 3.16Å |
| 105 | I | 94.9 | Very high | 94.5 | Very high | 103 Ų | 103 | 54.1 Ų | 54.1 | 53% | 0.528 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 177 | -64.7 | 169.6 | 0 | 0 | 0 | 109.7 | Y101 I102 C107 L108 V109 | Y101-I105 WeakPolarHBondContact O-CG1 3.49Å; Y101-I105 PolarHBondContact O-N 3.38Å; I102-I105 PolarHBondContact O-N 3.04Å; I105-C107 VanDerWaalsContact C-N 3.31Å; I105-C107 PolarHBondContact O-N 3.02Å; I105-L108 PolarHBondContact O-N 3.41Å; I105-V109 HydrophobicContact CG2-CG2 4.32Å; I105-V109 WeakPolarHBondContact O-CG2 3.41Å; I105-V109 PolarHBondContact O-N 3.07Å; I105-V109 VanDerWaalsContact O-N 3.09Å |
| 106 | W | 94.3 | Very high | 94.7 | Very high | 63 Ų | 63 | 56.9 Ų | 56.9 | 24% | 0.239 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.2 | -47.5 | 176.5 | -168.5 | -94.1 | 0 | 0 | 0 | 111.4 | I102 R103 F104 L108 V109 Q110 L137 M140 Y141 | I102-W106 WeakPolarHBondContact O-CB 3.4Å; I102-W106 PolarHBondContact O-N 2.85Å; R103-W106 WeakPolarHBondContact O-CB 3.31Å; R103-W106 PolarHBondContact O-N 3.25Å; F104-W106 VanDerWaalsContact C-N 3.28Å; F104-W106 PolarHBondContact O-N 2.93Å; W106-L108 PolarHBondContact O-N 2.76Å; W106-V109 PolarHBondContact O-N 3.15Å; W106-Q110 WeakPolarHBondContact O-CB 3.42Å; W106-Q110 PolarHBondContact O-N 2.83Å; W106-L137 HydrophobicContact CH2-CB 4.34Å; W106-L137 HydrophobicContact CH2-CD2 3.89Å; W106-L137 HydrophobicContact CZ2-CB 4.34Å; W106-L137 VanDerWaalsContact CZ2-O 3.3Å; W106-L137 WeakPolarHBondContact CZ2-O 3.33Å; W106-L137 HydrophobicContact CZ3-CD2 4.29Å; W106-M140 HydrophobicContact CH2-CB 3.44Å; W106-M140 VanDerWaalsContact CH2-CB 3.44Å; W106-M140 HydrophobicContact CZ2-CB 4.21Å; W106-M140 HydrophobicContact CZ3-CB 4.26Å; W106-Y141 AromaticContact NE1-CD2 3.89Å |
| 107 | C | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | -179.5 | -67.7 | 0 | 0 | 0 | 0 | 112.9 | I39 R103 F104 I105 L111 | I39-C107 HydrophobicContact CD1-CB 3.91Å; I39-C107 HydrophobicContact CG1-CB 4.13Å; R103-C107 PolarHBondContact O-N 3.31Å; R103-C107 PolarHBondContact O-SG 2.89Å; F104-C107 PolarHBondContact O-N 3.21Å; F104-C107 VanDerWaalsContact O-N 3.17Å; I105-C107 VanDerWaalsContact C-N 3.31Å; I105-C107 PolarHBondContact O-N 3.02Å; C107-L111 WeakPolarHBondContact O-CB 3.17Å; C107-L111 PolarHBondContact O-N 3.33Å |
| 108 | L | 96.2 | Very high | 95.4 | Very high | 89 Ų | 89 | 47.5 Ų | 47.5 | 47% | 0.466 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.9 | -47.9 | 179 | -65.7 | 180 | 0 | 0 | 0 | 112.1 | F104 I105 W106 G112 | F104-L108 HydrophobicContact CD1-CD1 4.47Å; F104-L108 HydrophobicContact CE1-CD1 3.88Å; F104-L108 HydrophobicContact CE2-CD1 4.1Å; F104-L108 HydrophobicContact CE2-CD2 4.39Å; F104-L108 HydrophobicContact CE2-CG 4.25Å; F104-L108 HydrophobicContact CZ-CD1 3.68Å; F104-L108 HydrophobicContact CZ-CG 4.33Å; F104-L108 PolarHBondContact O-N 3.47Å; F104-L108 VanDerWaalsContact O-N 3.16Å; I105-L108 PolarHBondContact O-N 3.41Å; W106-L108 PolarHBondContact O-N 2.76Å; L108-G112 PolarHBondContact O-N 2.91Å; L108-G112 VanDerWaalsContact O-N 3.14Å |
| 109 | V | 97.7 | Very high | 95.7 | Very high | 74 Ų | 74 | 48.3 Ų | 48.3 | 45% | 0.448 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.9 | -41.7 | -178 | -170.2 | 0 | 0 | 0 | 0 | 110.5 | I105 W106 G112 T113 L137 | I105-V109 HydrophobicContact CG2-CG2 4.32Å; I105-V109 WeakPolarHBondContact O-CG2 3.41Å; I105-V109 PolarHBondContact O-N 3.07Å; I105-V109 VanDerWaalsContact O-N 3.09Å; W106-V109 PolarHBondContact O-N 3.15Å; V109-G112 PolarHBondContact O-N 3.46Å; V109-T113 WeakPolarHBondContact O-CG2 3.14Å; V109-T113 PolarHBondContact O-N 3.34Å; V109-T113 PolarHBondContact O-OG1 2.95Å; V109-L137 HydrophobicContact CB-CD1 4.14Å; V109-L137 HydrophobicContact CG1-CD1 3.37Å |
| 110 | Q | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 177.7 | -174.6 | 65.4 | 5.6 | 0 | 0 | 111.6 | I39 W106 G112 T113 L114 Q138 | I39-Q110 HydrophobicContact CD1-CB 4.31Å; I39-Q110 HydrophobicContact CD1-CG 4.31Å; I39-Q110 HydrophobicContact CG1-CB 4.37Å; I39-Q110 HydrophobicContact CG1-CG 4.43Å; W106-Q110 WeakPolarHBondContact O-CB 3.42Å; W106-Q110 PolarHBondContact O-N 2.83Å; Q110-G112 PolarHBondContact O-N 2.81Å; Q110-T113 PolarHBondContact O-N 3.48Å; Q110-T113 PolarHBondContact O-OG1 3.36Å; Q110-L114 HydrophobicContact CG-CD1 3.91Å; Q110-L114 HydrophobicContact CG-CG 4.35Å; Q110-L114 WeakPolarHBondContact O-CB 3.38Å; Q110-L114 VanDerWaalsContact O-CG 3.31Å; Q110-L114 WeakPolarHBondContact O-CG 3.3Å; Q110-L114 PolarHBondContact O-N 3.39Å; Q110-Q138 VanDerWaalsContact NE2-OE1 3.07Å |
| 111 | L | 98 | Very high | 96.2 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 19% | 0.188 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.7 | -46.7 | 175.7 | 176.1 | 61.5 | 0 | 0 | 0 | 111.3 | I36 I39 C107 T113 L114 I115 | I36-L111 HydrophobicContact CG2-CD1 4.34Å; I39-L111 HydrophobicContact CG1-CB 4.28Å; I39-L111 HydrophobicContact CG2-CB 3.86Å; I39-L111 HydrophobicContact CG2-CD1 3.56Å; I39-L111 HydrophobicContact CG2-CG 4.25Å; C107-L111 WeakPolarHBondContact O-CB 3.17Å; C107-L111 PolarHBondContact O-N 3.33Å; L111-T113 PolarHBondContact O-N 3.46Å; L111-L114 PolarHBondContact O-N 2.81Å; L111-I115 HydrophobicContact CD1-CD1 3.77Å; L111-I115 HydrophobicContact CD1-CG1 4.09Å; L111-I115 HydrophobicContact CG-CD1 3.93Å; L111-I115 VanDerWaalsContact O-CG1 3.32Å; L111-I115 WeakPolarHBondContact O-CG1 3.09Å; L111-I115 PolarHBondContact O-N 3.39Å |
| 112 | G | 97.6 | Very high | 96.3 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 42% | 0.423 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.9 | -45 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L108 V109 Q110 L116 | L108-G112 PolarHBondContact O-N 2.91Å; L108-G112 VanDerWaalsContact O-N 3.14Å; V109-G112 PolarHBondContact O-N 3.46Å; Q110-G112 PolarHBondContact O-N 2.81Å; G112-L116 WeakPolarHBondContact O-CB 3.32Å; G112-L116 PolarHBondContact O-N 3.49Å |
| 113 | T | 98 | Very high | 96.5 | Very high | 15 Ų | 15 | 46 Ų | 46 | 9% | 0.092 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.8 | -35.9 | 179.2 | 59.7 | 0 | 0 | 0 | 0 | 113.3 | V109 Q110 L111 L116 L117 P133 L137 | V109-T113 WeakPolarHBondContact O-CG2 3.14Å; V109-T113 PolarHBondContact O-N 3.34Å; V109-T113 PolarHBondContact O-OG1 2.95Å; Q110-T113 PolarHBondContact O-N 3.48Å; Q110-T113 PolarHBondContact O-OG1 3.36Å; L111-T113 PolarHBondContact O-N 3.46Å; T113-L116 PolarHBondContact O-N 3.36Å; T113-L117 WeakPolarHBondContact O-CB 3.2Å; T113-L117 PolarHBondContact O-N 3.01Å; T113-P133 HydrophobicContact CG2-CB 3.67Å; T113-L137 HydrophobicContact CG2-CD1 3.48Å; T113-L137 VanDerWaalsContact CG2-CD1 3.48Å; T113-L137 HydrophobicContact CG2-CG 4.37Å |
| 114 | L | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.5 | -39.3 | 175.6 | -72.4 | 173.4 | 0 | 0 | 0 | 112.1 | A32 Q35 I36 I39 Q110 L111 L117 Q118 F184 | A32-L114 HydrophobicContact CB-CD2 4.39Å; Q35-L114 HydrophobicContact CB-CD1 3.64Å; Q35-L114 HydrophobicContact CB-CD2 4.41Å; I36-L114 HydrophobicContact CD1-CB 4.25Å; I36-L114 HydrophobicContact CG1-CB 3.71Å; I36-L114 HydrophobicContact CG1-CD1 4.46Å; I39-L114 HydrophobicContact CG2-CD1 4.46Å; Q110-L114 HydrophobicContact CG-CD1 3.91Å; Q110-L114 HydrophobicContact CG-CG 4.35Å; Q110-L114 WeakPolarHBondContact O-CB 3.38Å; Q110-L114 VanDerWaalsContact O-CG 3.31Å; Q110-L114 WeakPolarHBondContact O-CG 3.3Å; Q110-L114 PolarHBondContact O-N 3.39Å; L111-L114 PolarHBondContact O-N 2.81Å; L114-L117 HydrophobicContact CD2-CD2 4.36Å; L114-L117 PolarHBondContact O-N 2.83Å; L114-Q118 VanDerWaalsContact O-CB 3.3Å; L114-Q118 WeakPolarHBondContact O-CB 3.33Å; L114-Q118 PolarHBondContact O-N 3.41Å; L114-F184 HydrophobicContact CD2-CE1 4.05Å; L114-F184 HydrophobicContact CD2-CZ 4.32Å |
| 115 | I | 97.9 | Very high | 96.1 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 42% | 0.415 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 172.5 | -70.7 | 170.1 | 0 | 0 | 0 | 110 | I36 L111 L117 Q118 V119 | I36-I115 HydrophobicContact CD1-CG1 4.44Å; L111-I115 HydrophobicContact CD1-CD1 3.77Å; L111-I115 HydrophobicContact CD1-CG1 4.09Å; L111-I115 HydrophobicContact CG-CD1 3.93Å; L111-I115 VanDerWaalsContact O-CG1 3.32Å; L111-I115 WeakPolarHBondContact O-CG1 3.09Å; L111-I115 PolarHBondContact O-N 3.39Å; I115-L117 VanDerWaalsContact C-N 3.33Å; I115-L117 PolarHBondContact O-N 3.34Å; I115-Q118 PolarHBondContact O-N 3.09Å; I115-V119 HydrophobicContact CG2-CG2 4.33Å; I115-V119 WeakPolarHBondContact O-CG2 3.32Å; I115-V119 PolarHBondContact O-N 3.14Å |
| 116 | L | 97.1 | Very high | 95.6 | Very high | 71 Ų | 71 | 50.4 Ų | 50.4 | 37% | 0.372 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 177.2 | 178.5 | 63.2 | 0 | 0 | 0 | 111.5 | G112 T113 T120 | G112-L116 WeakPolarHBondContact O-CB 3.32Å; G112-L116 PolarHBondContact O-N 3.49Å; T113-L116 PolarHBondContact O-N 3.36Å; L116-T120 WeakPolarHBondContact O-CB 3.43Å; L116-T120 PolarHBondContact O-N 2.92Å; L116-T120 PolarHBondContact O-OG1 2.82Å |
| 117 | L | 97.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 175.5 | 177.5 | 67.6 | 0 | 0 | 0 | 111.4 | T28 A32 T113 L114 I115 T120 C121 L131 A134 F184 I188 | T28-L117 HydrophobicContact CG2-CD1 3.98Å; T28-L117 HydrophobicContact CG2-CD2 3.8Å; T28-L117 HydrophobicContact CG2-CG 4.03Å; A32-L117 HydrophobicContact CB-CD2 4Å; T113-L117 WeakPolarHBondContact O-CB 3.2Å; T113-L117 PolarHBondContact O-N 3.01Å; L114-L117 HydrophobicContact CD2-CD2 4.36Å; L114-L117 PolarHBondContact O-N 2.83Å; I115-L117 VanDerWaalsContact C-N 3.33Å; I115-L117 PolarHBondContact O-N 3.34Å; L117-T120 PolarHBondContact O-N 3.42Å; L117-C121 WeakPolarHBondContact O-CB 3.41Å; L117-C121 PolarHBondContact O-N 3.42Å; L117-C121 PolarHBondContact O-SG 3.35Å; L117-L131 HydrophobicContact CD1-CG 4.35Å; L117-A134 HydrophobicContact CB-CB 3.89Å; L117-A134 HydrophobicContact CD1-CB 4.25Å; L117-A134 HydrophobicContact CD2-CB 3.99Å; L117-A134 HydrophobicContact CG-CB 4.27Å; L117-F184 HydrophobicContact CD2-CZ 4.04Å; L117-I188 HydrophobicContact CD1-CD1 3.99Å; L117-I188 HydrophobicContact CD2-CD1 3.44Å; L117-I188 VanDerWaalsContact CD2-CD1 3.44Å; L117-I188 HydrophobicContact CD2-CG1 4.44Å; L117-I188 HydrophobicContact CG-CD1 4.36Å |
| 118 | Q | 96.8 | Very high | 95.3 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.5 | -49.9 | -178.3 | -168.8 | 69.4 | 1.3 | 0 | 0 | 111.1 | I29 I36 L114 I115 T120 C121 L122 | I29-Q118 PolarHBondContact O-NE2 2.94Å; I29-Q118 PolarHBondContact O-OE1 3.21Å; I36-Q118 HydrophobicContact CD1-CB 3.83Å; I36-Q118 HydrophobicContact CD1-CG 4.07Å; L114-Q118 VanDerWaalsContact O-CB 3.3Å; L114-Q118 WeakPolarHBondContact O-CB 3.33Å; L114-Q118 PolarHBondContact O-N 3.41Å; I115-Q118 PolarHBondContact O-N 3.09Å; Q118-T120 PolarHBondContact O-N 3.41Å; Q118-C121 PolarHBondContact O-N 3.33Å; Q118-L122 HydrophobicContact CG-CD1 4.04Å; Q118-L122 WeakPolarHBondContact O-CB 3.4Å; Q118-L122 VanDerWaalsContact O-CG 3.25Å; Q118-L122 WeakPolarHBondContact O-CG 3.47Å; Q118-L122 PolarHBondContact O-N 3.44Å |
| 119 | V | 97.1 | Very high | 95.1 | Very high | 69 Ų | 69 | 53.3 Ų | 53.3 | 42% | 0.418 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 177.8 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | I115 C121 L122 L123 | I115-V119 HydrophobicContact CG2-CG2 4.33Å; I115-V119 WeakPolarHBondContact O-CG2 3.32Å; I115-V119 PolarHBondContact O-N 3.14Å; V119-C121 VanDerWaalsContact C-N 3.31Å; V119-C121 PolarHBondContact O-N 2.83Å; V119-L122 PolarHBondContact O-N 2.87Å; V119-L123 HydrophobicContact CG1-CD1 3.64Å; V119-L123 HydrophobicContact CG1-CG 4.18Å; V119-L123 WeakPolarHBondContact O-CB 3.13Å; V119-L123 VanDerWaalsContact O-CG 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.25Å; V119-L123 PolarHBondContact O-N 3.34Å |
| 120 | T | 95.1 | Very high | 95 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 179 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | L116 L117 Q118 K124 I125 L130 L131 | L116-T120 WeakPolarHBondContact O-CB 3.43Å; L116-T120 PolarHBondContact O-N 2.92Å; L116-T120 PolarHBondContact O-OG1 2.82Å; L117-T120 PolarHBondContact O-N 3.42Å; Q118-T120 PolarHBondContact O-N 3.41Å; T120-K124 PolarHBondContact O-N 3.5Å; T120-K124 VanDerWaalsContact O-N 3.16Å; T120-I125 HydrophobicContact CG2-CB 4.1Å; T120-I125 HydrophobicContact CG2-CG2 4.49Å; T120-I125 WeakPolarHBondContact CG2-O 3.27Å; T120-I125 PolarHBondContact O-N 2.88Å; T120-L130 HydrophobicContact CG2-CB 4.14Å; T120-L130 HydrophobicContact CG2-CD2 4.14Å; T120-L131 HydrophobicContact CG2-CD1 4.02Å |
| 121 | C | 95.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.8 | -40.8 | 178.8 | -66 | 0 | 0 | 0 | 0 | 112.8 | R25 I29 L117 Q118 V119 K124 | R25-C121 HydrophobicContact CG-CB 4.28Å; I29-C121 HydrophobicContact CD1-CB 3.9Å; I29-C121 HydrophobicContact CG1-CB 3.44Å; I29-C121 VanDerWaalsContact CG1-CB 3.44Å; L117-C121 WeakPolarHBondContact O-CB 3.41Å; L117-C121 PolarHBondContact O-N 3.42Å; L117-C121 PolarHBondContact O-SG 3.35Å; Q118-C121 PolarHBondContact O-N 3.33Å; V119-C121 VanDerWaalsContact C-N 3.31Å; V119-C121 PolarHBondContact O-N 2.83Å; C121-K124 PolarHBondContact O-N 2.83Å |
| 122 | L | 95.8 | Very high | 94.7 | Very high | 104 Ų | 104 | 57.5 Ų | 57.5 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 178.3 | -71.8 | 173.6 | 0 | 0 | 0 | 111.9 | I29 Q118 V119 K124 | I29-L122 HydrophobicContact CD1-CD2 4.2Å; I29-L122 HydrophobicContact CG2-CD2 4.13Å; Q118-L122 HydrophobicContact CG-CD1 4.04Å; Q118-L122 WeakPolarHBondContact O-CB 3.4Å; Q118-L122 VanDerWaalsContact O-CG 3.25Å; Q118-L122 WeakPolarHBondContact O-CG 3.47Å; Q118-L122 PolarHBondContact O-N 3.44Å; V119-L122 PolarHBondContact O-N 2.87Å; L122-K124 PolarHBondContact O-N 2.9Å |
| 123 | L | 95.9 | Very high | 94.7 | Very high | 113 Ų | 113 | 58 Ų | 58 | 59% | 0.592 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 0.5 | 176.7 | -61.5 | -177.5 | 0 | 0 | 0 | 113.4 | V119 I125 | V119-L123 HydrophobicContact CG1-CD1 3.64Å; V119-L123 HydrophobicContact CG1-CG 4.18Å; V119-L123 WeakPolarHBondContact O-CB 3.13Å; V119-L123 VanDerWaalsContact O-CG 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.25Å; V119-L123 PolarHBondContact O-N 3.34Å; L123-I125 HydrophobicContact CB-CD1 3.88Å; L123-I125 HydrophobicContact CB-CG1 3.9Å; L123-I125 HydrophobicContact CD1-CD1 4.06Å; L123-I125 PolarHBondContact O-N 2.9Å |
| 124 | K | 91.6 | Very high | 94.6 | Very high | 144 Ų | 144 | 57.3 Ų | 57.3 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 35.5 | -178.3 | -56.2 | 178.7 | -178.1 | 174.6 | 0 | 113.2 | T120 C121 L122 E126 | T120-K124 PolarHBondContact O-N 3.5Å; T120-K124 VanDerWaalsContact O-N 3.16Å; C121-K124 PolarHBondContact O-N 2.83Å; L122-K124 PolarHBondContact O-N 2.9Å; K124-E126 PolarHBondContact O-N 3.43Å |
| 125 | I | 90.6 | Very high | 94.6 | Very high | 65 Ų | 65 | 57.5 Ų | 57.5 | 33% | 0.333 | 29% | 0.293 | S | S | . | . | trans | -83.9 | 102 | 177 | -61.3 | 172.2 | 0 | 0 | 0 | 108.2 | T120 L123 K127 L130 | T120-I125 HydrophobicContact CG2-CB 4.1Å; T120-I125 HydrophobicContact CG2-CG2 4.49Å; T120-I125 WeakPolarHBondContact CG2-O 3.27Å; T120-I125 PolarHBondContact O-N 2.88Å; L123-I125 HydrophobicContact CB-CD1 3.88Å; L123-I125 HydrophobicContact CB-CG1 3.9Å; L123-I125 HydrophobicContact CD1-CD1 4.06Å; L123-I125 PolarHBondContact O-N 2.9Å; I125-K127 VanDerWaalsContact C-N 3.33Å; I125-K127 HydrophobicContact CG2-CB 4.39Å; I125-K127 HydrophobicContact CG2-CD 4.29Å; I125-K127 HydrophobicContact CG2-CG 4.11Å; I125-K127 PolarHBondContact O-N 3.41Å; I125-K127 VanDerWaalsContact O-N 3.14Å; I125-L130 HydrophobicContact CG2-CD2 4.12Å | ||
| 126 | E | 84.3 | Confident | 94.6 | Very high | 55 Ų | 55 | 59.9 Ų | 59.9 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | trans | -93 | 57.4 | -173.5 | -68 | 179.1 | 175.3 | 0 | 0 | 112.1 | R25 K124 V195 K198 | R25-E126 IonicContact NH1-OE1 2.78Å; K124-E126 PolarHBondContact O-N 3.43Å; E126-V195 HydrophobicContact CB-CG1 4.01Å; E126-V195 HydrophobicContact CG-CG2 4.48Å; E126-V195 WeakPolarHBondContact O-CG1 2.99Å; E126-K198 WeakPolarHBondContact OE2-CD 3.32Å; E126-K198 WeakPolarHBondContact OE2-CE 3.11Å; E126-K198 IonicContact OE2-NZ 3.81Å; E126-K198 PolarHBondContact OE2-NZ 2.72Å | ||
| 127 | K | 91.6 | Very high | 94.6 | Very high | 131 Ų | 131 | 57.4 Ų | 57.4 | 57% | 0.57 | 29% | 0.288 | S | S | * | . | trans | -100.7 | 113.5 | 176.1 | -72.4 | -174.3 | 179.5 | 178.5 | 0 | 110.6 | I125 A129 L130 L131 | I125-K127 VanDerWaalsContact C-N 3.33Å; I125-K127 HydrophobicContact CG2-CB 4.39Å; I125-K127 HydrophobicContact CG2-CD 4.29Å; I125-K127 HydrophobicContact CG2-CG 4.11Å; I125-K127 PolarHBondContact O-N 3.41Å; I125-K127 VanDerWaalsContact O-N 3.14Å; K127-A129 PolarHBondContact O-N 2.98Å; K127-L130 HydrophobicContact CB-CD1 3.94Å; K127-L130 HydrophobicContact CD-CD1 4.32Å; K127-L130 PolarHBondContact O-N 3.03Å; K127-L131 VanDerWaalsContact O-CD1 3.3Å; K127-L131 WeakPolarHBondContact O-CD1 3.42Å | ||
| 128 | P | 91.4 | Very high | 94.6 | Very high | 22 Ų | 22 | 57.4 Ų | 57.4 | 14% | 0.143 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.7 | -34.9 | -177.7 | -22.8 | 28.4 | 0 | 0 | 0 | 113.4 | L130 L131 R132 Y192 V195 K196 A199 | P128-L130 VanDerWaalsContact C-N 3.27Å; P128-L130 PolarHBondContact O-N 3.3Å; P128-L131 PolarHBondContact O-N 3.18Å; P128-R132 PolarHBondContact O-N 2.73Å; P128-Y192 HydrophobicContact CB-CD2 4.47Å; P128-Y192 HydrophobicContact CB-CE2 3.91Å; P128-Y192 WeakPolarHBondContact O-CE2 3.33Å; P128-V195 HydrophobicContact CG-CG1 3.98Å; P128-K196 HydrophobicContact CB-CB 4.36Å; P128-K196 HydrophobicContact CG-CB 4.27Å; P128-A199 HydrophobicContact CG-CB 3.89Å |
| 129 | A | 93.5 | Very high | 94.7 | Very high | 59 Ų | 59 | 57.5 Ų | 57.5 | 49% | 0.488 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60 | -33.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K127 L131 | K127-A129 PolarHBondContact O-N 2.98Å; A129-L131 VanDerWaalsContact C-N 3.34Å |
| 130 | L | 94.1 | Very high | 94.7 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 29% | 0.288 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -74.7 | -24.8 | 179.5 | -86.7 | 63.8 | 0 | 0 | 0 | 112.4 | T120 I125 K127 P128 | T120-L130 HydrophobicContact CG2-CB 4.14Å; T120-L130 HydrophobicContact CG2-CD2 4.14Å; I125-L130 HydrophobicContact CG2-CD2 4.12Å; K127-L130 HydrophobicContact CB-CD1 3.94Å; K127-L130 HydrophobicContact CD-CD1 4.32Å; K127-L130 PolarHBondContact O-N 3.03Å; P128-L130 VanDerWaalsContact C-N 3.27Å; P128-L130 PolarHBondContact O-N 3.3Å |
| 131 | L | 94.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -83.3 | -24.4 | 179.2 | -77 | 72.7 | 0 | 0 | 0 | 112.2 | L117 T120 K127 P128 A129 A134 V135 F191 Y192 V195 | L117-L131 HydrophobicContact CD1-CG 4.35Å; T120-L131 HydrophobicContact CG2-CD1 4.02Å; K127-L131 VanDerWaalsContact O-CD1 3.3Å; K127-L131 WeakPolarHBondContact O-CD1 3.42Å; P128-L131 PolarHBondContact O-N 3.18Å; A129-L131 VanDerWaalsContact C-N 3.34Å; L131-A134 PolarHBondContact O-N 3.07Å; L131-V135 WeakPolarHBondContact O-CG2 3.35Å; L131-V135 PolarHBondContact O-N 3.18Å; L131-F191 HydrophobicContact CD2-CD1 3.67Å; L131-F191 HydrophobicContact CD2-CE1 3.62Å; L131-F191 HydrophobicContact CD2-CG 4.49Å; L131-F191 HydrophobicContact CD2-CZ 4.41Å; L131-Y192 HydrophobicContact CB-CD2 4.03Å; L131-V195 HydrophobicContact CD2-CG2 4.29Å |
| 132 | R | 95.9 | Very high | 94.8 | Very high | 142 Ų | 142 | 58.5 Ų | 58.5 | 54% | 0.536 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -54.4 | -46.7 | -175 | -71.6 | 178.7 | -172.7 | 170.1 | 3.8 | 114.1 | P128 A134 V135 F136 Y192 | P128-R132 PolarHBondContact O-N 2.73Å; R132-A134 VanDerWaalsContact C-N 3.33Å; R132-A134 PolarHBondContact O-N 3.45Å; R132-V135 PolarHBondContact O-N 3.13Å; R132-F136 WeakPolarHBondContact O-CB 3.38Å; R132-F136 PolarHBondContact O-N 2.65Å; R132-Y192 HydrophobicContact CG-CE2 3.82Å |
| 133 | P | 96.8 | Very high | 94.9 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 33% | 0.331 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | -179.3 | -23.7 | 35.3 | 0 | 0 | 0 | 112.2 | T113 F136 L137 | T113-P133 HydrophobicContact CG2-CB 3.67Å; P133-F136 PolarHBondContact O-N 2.93Å; P133-L137 WeakPolarHBondContact O-CG 3.45Å; P133-L137 PolarHBondContact O-N 3.37Å |
| 134 | A | 96.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | L117 L131 R132 F136 Q138 I188 | L117-A134 HydrophobicContact CB-CB 3.89Å; L117-A134 HydrophobicContact CD1-CB 4.25Å; L117-A134 HydrophobicContact CD2-CB 3.99Å; L117-A134 HydrophobicContact CG-CB 4.27Å; L131-A134 PolarHBondContact O-N 3.07Å; R132-A134 VanDerWaalsContact C-N 3.33Å; R132-A134 PolarHBondContact O-N 3.45Å; A134-F136 VanDerWaalsContact C-N 3.33Å; A134-F136 PolarHBondContact O-N 3.23Å; A134-Q138 WeakPolarHBondContact O-CB 3.41Å; A134-Q138 PolarHBondContact O-N 2.81Å; A134-I188 HydrophobicContact CB-CD1 3.96Å |
| 135 | V | 97.3 | Very high | 95 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | 175.1 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | L131 R132 S139 I188 W189 Y192 | L131-V135 WeakPolarHBondContact O-CG2 3.35Å; L131-V135 PolarHBondContact O-N 3.18Å; R132-V135 PolarHBondContact O-N 3.13Å; V135-S139 WeakPolarHBondContact O-CB 3.48Å; V135-S139 PolarHBondContact O-N 2.86Å; V135-S139 VanDerWaalsContact O-N 3.08Å; V135-S139 PolarHBondContact O-OG 2.9Å; V135-I188 HydrophobicContact CG2-CD1 4.06Å; V135-I188 HydrophobicContact CG2-CG1 3.9Å; V135-I188 HydrophobicContact CG2-CG2 4.36Å; V135-W189 HydrophobicContact CG1-CD2 3.52Å; V135-W189 HydrophobicContact CG1-CE3 3.97Å; V135-W189 HydrophobicContact CG1-CG 4Å; V135-W189 HydrophobicContact CG1-CH2 4Å; V135-W189 HydrophobicContact CG1-CZ2 3.53Å; V135-W189 HydrophobicContact CG1-CZ3 4.2Å; V135-Y192 HydrophobicContact CG2-CG 4.24Å |
| 136 | F | 97.7 | Very high | 95.4 | Very high | 130 Ų | 130 | 46.4 Ų | 46.4 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63.5 | -52.7 | -179.9 | 177.7 | -105.2 | 0 | 0 | 0 | 111.9 | R132 P133 A134 S139 M140 | R132-F136 WeakPolarHBondContact O-CB 3.38Å; R132-F136 PolarHBondContact O-N 2.65Å; P133-F136 PolarHBondContact O-N 2.93Å; A134-F136 VanDerWaalsContact C-N 3.33Å; A134-F136 PolarHBondContact O-N 3.23Å; F136-S139 WeakPolarHBondContact O-CB 3.17Å; F136-S139 PolarHBondContact O-N 3.38Å; F136-M140 HydrophobicContact CE1-CG 4.29Å; F136-M140 HydrophobicContact CE2-CG 4.27Å; F136-M140 HydrophobicContact CZ-CG 4.07Å; F136-M140 WeakPolarHBondContact O-CG 3.45Å; F136-M140 PolarHBondContact O-N 3.18Å |
| 137 | L | 97.5 | Very high | 95.9 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.5 | -38.2 | -178.1 | -64.5 | -174.1 | 0 | 0 | 0 | 112.7 | W106 V109 T113 P133 S139 M140 Y141 | W106-L137 HydrophobicContact CH2-CB 4.34Å; W106-L137 HydrophobicContact CH2-CD2 3.89Å; W106-L137 HydrophobicContact CZ2-CB 4.34Å; W106-L137 VanDerWaalsContact CZ2-O 3.3Å; W106-L137 WeakPolarHBondContact CZ2-O 3.33Å; W106-L137 HydrophobicContact CZ3-CD2 4.29Å; V109-L137 HydrophobicContact CB-CD1 4.14Å; V109-L137 HydrophobicContact CG1-CD1 3.37Å; T113-L137 HydrophobicContact CG2-CD1 3.48Å; T113-L137 VanDerWaalsContact CG2-CD1 3.48Å; T113-L137 HydrophobicContact CG2-CG 4.37Å; P133-L137 WeakPolarHBondContact O-CG 3.45Å; P133-L137 PolarHBondContact O-N 3.37Å; L137-S139 VanDerWaalsContact C-N 3.25Å; L137-S139 PolarHBondContact O-N 2.92Å; L137-M140 PolarHBondContact O-N 3.48Å; L137-Y141 WeakPolarHBondContact O-CB 3.49Å; L137-Y141 PolarHBondContact O-N 3.16Å |
| 138 | Q | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -34.9 | 175.1 | -174.1 | 58.2 | 30.8 | 0 | 0 | 112.1 | Q110 A134 S142 N181 F184 T185 I188 | Q110-Q138 VanDerWaalsContact NE2-OE1 3.07Å; A134-Q138 WeakPolarHBondContact O-CB 3.41Å; A134-Q138 PolarHBondContact O-N 2.81Å; Q138-S142 PolarHBondContact O-N 3.42Å; Q138-S142 VanDerWaalsContact O-N 3.07Å; Q138-S142 PolarHBondContact O-OG 3.38Å; Q138-S142 VanDerWaalsContact O-OG 3.07Å; Q138-N181 PolarHBondContact NE2-O 3.3Å; Q138-N181 PolarHBondContact NE2-OD1 3.4Å; Q138-F184 VanDerWaalsContact CD-CD1 3.42Å; Q138-F184 HydrophobicContact CG-CD1 3.85Å; Q138-F184 HydrophobicContact CG-CE1 4.08Å; Q138-F184 HydrophobicContact CG-CG 4.43Å; Q138-T185 WeakPolarHBondContact CG-OG1 3.47Å; Q138-T185 PolarHBondContact O-OG1 3Å; Q138-I188 HydrophobicContact CG-CG2 4.46Å |
| 139 | S | 98 | Very high | 96.2 | Very high | 29 Ų | 29 | 43.3 Ų | 43.3 | 20% | 0.203 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66 | -46.8 | 174.3 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | V135 F136 L137 Y141 S142 L143 W189 | V135-S139 WeakPolarHBondContact O-CB 3.48Å; V135-S139 PolarHBondContact O-N 2.86Å; V135-S139 VanDerWaalsContact O-N 3.08Å; V135-S139 PolarHBondContact O-OG 2.9Å; F136-S139 WeakPolarHBondContact O-CB 3.17Å; F136-S139 PolarHBondContact O-N 3.38Å; L137-S139 VanDerWaalsContact C-N 3.25Å; L137-S139 PolarHBondContact O-N 2.92Å; S139-Y141 VanDerWaalsContact C-N 3.33Å; S139-Y141 PolarHBondContact O-N 3.21Å; S139-S142 PolarHBondContact O-N 3.13Å; S139-L143 VanDerWaalsContact O-CB 3.31Å; S139-L143 WeakPolarHBondContact O-CB 3.5Å; S139-L143 PolarHBondContact O-N 2.74Å; S139-W189 PolarHBondContact OG-NE1 2.77Å |
| 140 | M | 97.3 | Very high | 96.3 | Very high | 83 Ų | 83 | 45.3 Ų | 45.3 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.4 | -38.1 | 177.1 | -73.9 | -59.8 | -61.9 | 0 | 0 | 112.1 | W106 F136 L137 L143 G144 | W106-M140 HydrophobicContact CH2-CB 3.44Å; W106-M140 VanDerWaalsContact CH2-CB 3.44Å; W106-M140 HydrophobicContact CZ2-CB 4.21Å; W106-M140 HydrophobicContact CZ3-CB 4.26Å; F136-M140 HydrophobicContact CE1-CG 4.29Å; F136-M140 HydrophobicContact CE2-CG 4.27Å; F136-M140 HydrophobicContact CZ-CG 4.07Å; F136-M140 WeakPolarHBondContact O-CG 3.45Å; F136-M140 PolarHBondContact O-N 3.18Å; L137-M140 PolarHBondContact O-N 3.48Å; M140-L143 PolarHBondContact O-N 3.43Å; M140-G144 PolarHBondContact O-N 3.38Å |
| 141 | Y | 96.6 | Very high | 96.3 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 6% | 0.059 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.5 | -51.8 | 175.4 | -179.7 | -151.1 | 0 | 0 | 0 | 111.4 | I76 W106 L137 S139 L143 G144 L145 N181 | I76-Y141 HydrophobicContact CD1-CE1 4.28Å; I76-Y141 HydrophobicContact CD1-CE2 4.38Å; I76-Y141 VanDerWaalsContact CD1-OH 3.27Å; I76-Y141 WeakPolarHBondContact CD1-OH 3.12Å; I76-Y141 HydrophobicContact CG1-CE2 4Å; I76-Y141 PolarHBondContact O-OH 3.17Å; W106-Y141 AromaticContact NE1-CD2 3.89Å; L137-Y141 WeakPolarHBondContact O-CB 3.49Å; L137-Y141 PolarHBondContact O-N 3.16Å; S139-Y141 VanDerWaalsContact C-N 3.33Å; S139-Y141 PolarHBondContact O-N 3.21Å; Y141-L143 VanDerWaalsContact C-N 3.31Å; Y141-L143 PolarHBondContact O-N 3.04Å; Y141-G144 PolarHBondContact O-N 3.26Å; Y141-G144 VanDerWaalsContact O-N 3.15Å; Y141-L145 HydrophobicContact CD2-CD1 4.38Å; Y141-L145 HydrophobicContact CD2-CG 4.3Å; Y141-L145 HydrophobicContact CE2-CD1 3.88Å; Y141-L145 HydrophobicContact CE2-CD2 4.19Å; Y141-L145 HydrophobicContact CE2-CG 4Å; Y141-L145 PolarHBondContact O-N 3.25Å; Y141-L145 VanDerWaalsContact O-N 3.07Å; Y141-N181 WeakPolarHBondContact CD1-OD1 3.43Å; Y141-N181 VanDerWaalsContact CE1-CG 3.49Å; Y141-N181 WeakPolarHBondContact CE1-OD1 3.1Å |
| 142 | S | 96.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 179.8 | -58 | 0 | 0 | 0 | 0 | 112 | Q138 S139 L145 I146 N181 T185 | Q138-S142 PolarHBondContact O-N 3.42Å; Q138-S142 VanDerWaalsContact O-N 3.07Å; Q138-S142 PolarHBondContact O-OG 3.38Å; Q138-S142 VanDerWaalsContact O-OG 3.07Å; S139-S142 PolarHBondContact O-N 3.13Å; S142-L145 PolarHBondContact O-N 3.07Å; S142-I146 WeakPolarHBondContact O-CG1 3.46Å; S142-I146 PolarHBondContact O-N 3.44Å; S142-N181 PolarHBondContact OG-O 3.17Å; S142-N181 VanDerWaalsContact OG-O 3.13Å; S142-T185 PolarHBondContact OG-OG1 3.24Å |
| 143 | L | 96.7 | Very high | 96.2 | Very high | 87 Ų | 87 | 44.5 Ų | 44.5 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.3 | -43 | 173.5 | -177.3 | 64.6 | 0 | 0 | 0 | 111.5 | S139 M140 Y141 L145 I146 I147 | S139-L143 VanDerWaalsContact O-CB 3.31Å; S139-L143 WeakPolarHBondContact O-CB 3.5Å; S139-L143 PolarHBondContact O-N 2.74Å; M140-L143 PolarHBondContact O-N 3.43Å; Y141-L143 VanDerWaalsContact C-N 3.31Å; Y141-L143 PolarHBondContact O-N 3.04Å; L143-L145 PolarHBondContact O-N 3.13Å; L143-I146 PolarHBondContact O-N 2.83Å; L143-I147 HydrophobicContact CD1-CD1 4.27Å; L143-I147 HydrophobicContact CD1-CG1 4.4Å; L143-I147 HydrophobicContact CD2-CD1 4.46Å; L143-I147 HydrophobicContact CG-CD1 3.89Å; L143-I147 HydrophobicContact CG-CG1 4.42Å; L143-I147 VanDerWaalsContact O-CG1 3.31Å; L143-I147 WeakPolarHBondContact O-CG1 3.4Å; L143-I147 PolarHBondContact O-N 2.79Å |
| 144 | G | 95.1 | Very high | 96.1 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 32% | 0.32 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M140 Y141 I147 L148 | M140-G144 PolarHBondContact O-N 3.38Å; Y141-G144 PolarHBondContact O-N 3.26Å; Y141-G144 VanDerWaalsContact O-N 3.15Å; G144-I147 PolarHBondContact O-N 2.95Å; G144-L148 WeakPolarHBondContact O-CG 3.47Å; G144-L148 PolarHBondContact O-N 3.2Å |
| 145 | L | 96.1 | Very high | 96 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 174.2 | -64.9 | 177.1 | 0 | 0 | 0 | 111.5 | V77 F78 Y141 S142 L143 I147 L148 A149 Y174 T178 N181 | V77-L145 HydrophobicContact CG1-CD2 4.37Å; F78-L145 HydrophobicContact CD2-CD1 4.37Å; F78-L145 HydrophobicContact CD2-CD2 4.42Å; F78-L145 HydrophobicContact CE2-CD1 4.01Å; Y141-L145 HydrophobicContact CD2-CD1 4.38Å; Y141-L145 HydrophobicContact CD2-CG 4.3Å; Y141-L145 HydrophobicContact CE2-CD1 3.88Å; Y141-L145 HydrophobicContact CE2-CD2 4.19Å; Y141-L145 HydrophobicContact CE2-CG 4Å; Y141-L145 PolarHBondContact O-N 3.25Å; Y141-L145 VanDerWaalsContact O-N 3.07Å; S142-L145 PolarHBondContact O-N 3.07Å; L143-L145 PolarHBondContact O-N 3.13Å; L145-I147 PolarHBondContact O-N 3.45Å; L145-L148 PolarHBondContact O-N 2.89Å; L145-A149 WeakPolarHBondContact O-CB 3.42Å; L145-A149 PolarHBondContact O-N 3.43Å; L145-Y174 HydrophobicContact CD2-CE2 4.49Å; L145-Y174 PolarHBondContact O-OH 2.9Å; L145-T178 HydrophobicContact CB-CG2 4.02Å; L145-N181 HydrophobicContact CD1-CB 4.16Å |
| 146 | I | 97.4 | Very high | 95.8 | Very high | 50 Ų | 50 | 52 Ų | 52 | 26% | 0.256 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 177.9 | -69.3 | 167 | 0 | 0 | 0 | 111.7 | S142 L143 L148 A149 L150 T178 W182 | S142-I146 WeakPolarHBondContact O-CG1 3.46Å; S142-I146 PolarHBondContact O-N 3.44Å; L143-I146 PolarHBondContact O-N 2.83Å; I146-L148 VanDerWaalsContact C-N 3.34Å; I146-L148 PolarHBondContact O-N 3.36Å; I146-A149 WeakPolarHBondContact O-CB 3.45Å; I146-A149 PolarHBondContact O-N 3.34Å; I146-L150 HydrophobicContact CG2-CD1 3.9Å; I146-L150 HydrophobicContact CG2-CG 4.31Å; I146-L150 WeakPolarHBondContact O-CB 3.22Å; I146-L150 VanDerWaalsContact O-CG 3.31Å; I146-L150 WeakPolarHBondContact O-CG 3.33Å; I146-L150 PolarHBondContact O-N 3.47Å; I146-T178 HydrophobicContact CG1-CG2 4.06Å; I146-W182 HydrophobicContact CD1-CD2 4.28Å; I146-W182 HydrophobicContact CD1-CE3 3.53Å; I146-W182 HydrophobicContact CD1-CZ3 3.67Å |
| 147 | I | 96.4 | Very high | 95.6 | Very high | 97 Ų | 97 | 50.9 Ų | 50.9 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 177.2 | -71.9 | 168.7 | 0 | 0 | 0 | 110.5 | L143 G144 L145 A149 L150 A151 | L143-I147 HydrophobicContact CD1-CD1 4.27Å; L143-I147 HydrophobicContact CD1-CG1 4.4Å; L143-I147 HydrophobicContact CD2-CD1 4.46Å; L143-I147 HydrophobicContact CG-CD1 3.89Å; L143-I147 HydrophobicContact CG-CG1 4.42Å; L143-I147 VanDerWaalsContact O-CG1 3.31Å; L143-I147 WeakPolarHBondContact O-CG1 3.4Å; L143-I147 PolarHBondContact O-N 2.79Å; G144-I147 PolarHBondContact O-N 2.95Å; L145-I147 PolarHBondContact O-N 3.45Å; I147-A149 VanDerWaalsContact C-N 3.34Å; I147-A149 PolarHBondContact O-N 3.48Å; I147-L150 PolarHBondContact O-N 2.88Å; I147-A151 VanDerWaalsContact O-CB 3.3Å; I147-A151 WeakPolarHBondContact O-CB 3.37Å; I147-A151 PolarHBondContact O-N 3.43Å |
| 148 | L | 93.4 | Very high | 95.5 | Very high | 39 Ų | 39 | 52.7 Ų | 52.7 | 20% | 0.204 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 175.2 | -75.8 | 173.9 | 0 | 0 | 0 | 111.4 | V77 F83 V93 G144 L145 I146 L150 A151 T152 Y174 | V77-L148 HydrophobicContact CG1-CD1 3.6Å; F83-L148 HydrophobicContact CZ-CB 4.37Å; V93-L148 HydrophobicContact CG2-CD2 4.24Å; G144-L148 WeakPolarHBondContact O-CG 3.47Å; G144-L148 PolarHBondContact O-N 3.2Å; L145-L148 PolarHBondContact O-N 2.89Å; I146-L148 VanDerWaalsContact C-N 3.34Å; I146-L148 PolarHBondContact O-N 3.36Å; L148-L150 VanDerWaalsContact C-N 3.34Å; L148-L150 PolarHBondContact O-N 2.95Å; L148-A151 PolarHBondContact O-N 2.82Å; L148-T152 PolarHBondContact O-N 3.4Å; L148-T152 PolarHBondContact O-OG1 3.37Å; L148-Y174 WeakPolarHBondContact CB-OH 3.28Å |
| 149 | A | 95 | Very high | 95.2 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L145 I146 I147 T152 M153 Y174 F175 | L145-A149 WeakPolarHBondContact O-CB 3.42Å; L145-A149 PolarHBondContact O-N 3.43Å; I146-A149 WeakPolarHBondContact O-CB 3.45Å; I146-A149 PolarHBondContact O-N 3.34Å; I147-A149 VanDerWaalsContact C-N 3.34Å; I147-A149 PolarHBondContact O-N 3.48Å; A149-T152 PolarHBondContact O-OG1 3.41Å; A149-M153 WeakPolarHBondContact O-CA 3.32Å; A149-M153 WeakPolarHBondContact O-CB 3.4Å; A149-M153 PolarHBondContact O-N 2.95Å; A149-Y174 HydrophobicContact CB-CE1 3.73Å; A149-Y174 PolarHBondContact N-OH 3.01Å; A149-F175 HydrophobicContact CB-CE1 4.3Å |
| 150 | L | 96 | Very high | 95 | Very high | 101 Ų | 101 | 54.9 Ų | 54.9 | 53% | 0.529 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 179 | -71.5 | 170.8 | 0 | 0 | 0 | 111.7 | I146 I147 L148 T152 M153 | I146-L150 HydrophobicContact CG2-CD1 3.9Å; I146-L150 HydrophobicContact CG2-CG 4.31Å; I146-L150 WeakPolarHBondContact O-CB 3.22Å; I146-L150 VanDerWaalsContact O-CG 3.31Å; I146-L150 WeakPolarHBondContact O-CG 3.33Å; I146-L150 PolarHBondContact O-N 3.47Å; I147-L150 PolarHBondContact O-N 2.88Å; L148-L150 VanDerWaalsContact C-N 3.34Å; L148-L150 PolarHBondContact O-N 2.95Å; L150-T152 VanDerWaalsContact C-N 3.28Å; L150-T152 PolarHBondContact O-N 3.04Å; L150-M153 HydrophobicContact CD2-CE 3.8Å; L150-M153 WeakPolarHBondContact O-CB 3.29Å; L150-M153 PolarHBondContact O-N 3.44Å |
| 151 | A | 94.7 | Very high | 94.9 | Very high | 76 Ų | 76 | 57.1 Ų | 57.1 | 63% | 0.628 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.6 | -35.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | I147 L148 | I147-A151 VanDerWaalsContact O-CB 3.3Å; I147-A151 WeakPolarHBondContact O-CB 3.37Å; I147-A151 PolarHBondContact O-N 3.43Å; L148-A151 PolarHBondContact O-N 2.82Å |
| 152 | T | 93.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 63.5 Ų | 63.5 | 6% | 0.055 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -95.4 | -7.6 | 178.5 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | F83 L148 A149 L150 P154 K155 M156 | F83-T152 HydrophobicContact CD1-CG2 3.76Å; F83-T152 HydrophobicContact CE1-CG2 3.48Å; F83-T152 VanDerWaalsContact CE1-CG2 3.48Å; L148-T152 PolarHBondContact O-N 3.4Å; L148-T152 PolarHBondContact O-OG1 3.37Å; A149-T152 PolarHBondContact O-OG1 3.41Å; L150-T152 VanDerWaalsContact C-N 3.28Å; L150-T152 PolarHBondContact O-N 3.04Å; T152-P154 VanDerWaalsContact C-CD 3.4Å; T152-P154 VanDerWaalsContact C-N 3.32Å; T152-P154 VanDerWaalsContact O-N 3.15Å; T152-K155 PolarHBondContact O-N 3.46Å; T152-M156 WeakPolarHBondContact O-CG 3.43Å; T152-M156 PolarHBondContact O-N 3.23Å; T152-M156 PolarHBondContact OG1-SD 2.91Å; T152-M156 VanDerWaalsContact OG1-SD 3.4Å |
| 153 | M | 94.5 | Very high | 94.5 | Very high | 97 Ų | 97 | 68.4 Ų | 68.4 | 48% | 0.478 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -48.1 | -44.3 | -177.7 | -175.6 | 178.2 | -75.1 | 0 | 0 | 113.8 | A149 L150 K155 M156 L157 | A149-M153 WeakPolarHBondContact O-CA 3.32Å; A149-M153 WeakPolarHBondContact O-CB 3.4Å; A149-M153 PolarHBondContact O-N 2.95Å; L150-M153 HydrophobicContact CD2-CE 3.8Å; L150-M153 WeakPolarHBondContact O-CB 3.29Å; L150-M153 PolarHBondContact O-N 3.44Å; M153-K155 PolarHBondContact O-N 2.99Å; M153-M156 PolarHBondContact O-N 3.11Å; M153-L157 WeakPolarHBondContact O-CB 3.33Å; M153-L157 PolarHBondContact O-N 3.11Å |
| 154 | P | 95.1 | Very high | 94.3 | Very high | 86 Ų | 86 | 69.1 Ų | 69.1 | 56% | 0.558 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 177.9 | -22.5 | 34.3 | 0 | 0 | 0 | 112.6 | T152 L157 S158 | T152-P154 VanDerWaalsContact C-CD 3.4Å; T152-P154 VanDerWaalsContact C-N 3.32Å; T152-P154 VanDerWaalsContact O-N 3.15Å; P154-L157 PolarHBondContact O-N 2.86Å; P154-S158 PolarHBondContact O-N 3.4Å; P154-S158 VanDerWaalsContact O-N 3.07Å; P154-S158 PolarHBondContact O-OG 3.2Å |
| 155 | K | 94.2 | Very high | 94.2 | Very high | 124 Ų | 124 | 76 Ų | 76 | 54% | 0.539 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.3 | -37.3 | 178.6 | -68.9 | -67.7 | -174.7 | 177.5 | 0 | 111.8 | L86 T152 M153 L157 G159 | L86-K155 HydrophobicContact CB-CB 4.37Å; L86-K155 HydrophobicContact CD2-CB 4.44Å; T152-K155 PolarHBondContact O-N 3.46Å; M153-K155 PolarHBondContact O-N 2.99Å; K155-L157 VanDerWaalsContact C-N 3.32Å; K155-G159 PolarHBondContact O-N 2.97Å |
| 156 | M | 92.7 | Very high | 93.9 | Very high | 6 Ų | 6 | 81.4 Ų | 81.4 | 3% | 0.03 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 173.6 | -70.7 | -177.1 | 81.1 | 0 | 0 | 110.4 | L82 L86 T152 M153 G159 M160 T171 F175 | L82-M156 HydrophobicContact CD1-CE 4.5Å; L82-M156 HydrophobicContact CD2-CE 4.04Å; L86-M156 HydrophobicContact CD1-CG 3.37Å; L86-M156 HydrophobicContact CD1-SD 4.33Å; L86-M156 HydrophobicContact CD2-CB 4.46Å; L86-M156 HydrophobicContact CD2-CG 4.06Å; L86-M156 HydrophobicContact CG-CG 4.36Å; T152-M156 WeakPolarHBondContact O-CG 3.43Å; T152-M156 PolarHBondContact O-N 3.23Å; T152-M156 PolarHBondContact OG1-SD 2.91Å; T152-M156 VanDerWaalsContact OG1-SD 3.4Å; M153-M156 PolarHBondContact O-N 3.11Å; M156-G159 PolarHBondContact O-N 2.75Å; M156-M160 WeakPolarHBondContact O-CB 3.41Å; M156-M160 VanDerWaalsContact O-CG 3.28Å; M156-M160 WeakPolarHBondContact O-CG 3.46Å; M156-M160 PolarHBondContact O-N 2.93Å; M156-T171 HydrophobicContact CE-CG2 3.47Å; M156-T171 VanDerWaalsContact CE-CG2 3.47Å; M156-F175 HydrophobicContact CE-CD2 4.16Å; M156-F175 HydrophobicContact CE-CE2 3.41Å; M156-F175 VanDerWaalsContact CE-CE2 3.41Å; M156-F175 HydrophobicContact CE-CZ 4.07Å; M156-F175 HydrophobicContact SD-CE2 4.32Å; M156-F175 HydrophobicContact SD-CZ 4.42Å |
| 157 | L | 93.9 | Very high | 93.7 | Very high | 105 Ų | 105 | 79 Ų | 79 | 55% | 0.55 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.4 | -48.1 | 179.8 | -174.9 | 61.1 | 0 | 0 | 0 | 112 | M153 P154 K155 G159 M160 I161 | M153-L157 WeakPolarHBondContact O-CB 3.33Å; M153-L157 PolarHBondContact O-N 3.11Å; P154-L157 PolarHBondContact O-N 2.86Å; K155-L157 VanDerWaalsContact C-N 3.32Å; L157-G159 VanDerWaalsContact C-N 3.32Å; L157-G159 PolarHBondContact O-N 3Å; L157-M160 PolarHBondContact O-N 3.43Å; L157-M160 VanDerWaalsContact O-N 3.13Å; L157-I161 HydrophobicContact CD1-CD1 4.44Å; L157-I161 HydrophobicContact CG-CD1 4.24Å; L157-I161 WeakPolarHBondContact O-CG1 3.44Å; L157-I161 PolarHBondContact O-N 2.94Å; L157-I161 VanDerWaalsContact O-N 3.09Å |
| 158 | S | 94.6 | Very high | 93.5 | Very high | 58 Ų | 58 | 75.5 Ų | 75.5 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.4 | -45 | 174.6 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | P154 M160 I161 E162 | P154-S158 PolarHBondContact O-N 3.4Å; P154-S158 VanDerWaalsContact O-N 3.07Å; P154-S158 PolarHBondContact O-OG 3.2Å; S158-M160 VanDerWaalsContact C-N 3.28Å; S158-M160 PolarHBondContact O-N 3.06Å; S158-I161 PolarHBondContact O-N 2.9Å; S158-E162 PolarHBondContact O-N 3.39Å |
| 159 | G | 92.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.01 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.6 | -32.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K155 M156 L157 I161 R163 F164 | K155-G159 PolarHBondContact O-N 2.97Å; M156-G159 PolarHBondContact O-N 2.75Å; L157-G159 VanDerWaalsContact C-N 3.32Å; L157-G159 PolarHBondContact O-N 3Å; G159-I161 VanDerWaalsContact C-N 3.32Å; G159-R163 CarbonylContact O-C 3.4Å; G159-R163 VanDerWaalsContact O-CA 3.27Å; G159-R163 WeakPolarHBondContact O-CA 3.36Å; G159-R163 PolarHBondContact O-N 2.94Å; G159-F164 PolarHBondContact O-N 3.17Å |
| 160 | M | 92.1 | Very high | 93.5 | Very high | 76 Ų | 76 | 79.1 Ų | 79.1 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -72.3 | -29.3 | 177.9 | -79.5 | -172.8 | 68.8 | 0 | 0 | 111.6 | M156 L157 S158 F164 I167 T171 | M156-M160 WeakPolarHBondContact O-CB 3.41Å; M156-M160 VanDerWaalsContact O-CG 3.28Å; M156-M160 WeakPolarHBondContact O-CG 3.46Å; M156-M160 PolarHBondContact O-N 2.93Å; L157-M160 PolarHBondContact O-N 3.43Å; L157-M160 VanDerWaalsContact O-N 3.13Å; S158-M160 VanDerWaalsContact C-N 3.28Å; S158-M160 PolarHBondContact O-N 3.06Å; M160-F164 HydrophobicContact CE-CD2 4.44Å; M160-F164 HydrophobicContact CE-CE2 4.11Å; M160-F164 WeakPolarHBondContact O-CB 3.3Å; M160-I167 HydrophobicContact CB-CD1 4.35Å; M160-I167 HydrophobicContact CG-CD1 3.73Å; M160-I167 HydrophobicContact CG-CG1 4.44Å; M160-I167 VanDerWaalsContact N-CD1 3.32Å; M160-T171 HydrophobicContact SD-CG2 4.4Å |
| 161 | I | 95.4 | Very high | 93.4 | Very high | 130 Ų | 130 | 74.7 Ų | 74.7 | 67% | 0.667 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -77.7 | -46.2 | 177 | -66.6 | 165.3 | 0 | 0 | 0 | 110.4 | L157 S158 G159 | L157-I161 HydrophobicContact CD1-CD1 4.44Å; L157-I161 HydrophobicContact CG-CD1 4.24Å; L157-I161 WeakPolarHBondContact O-CG1 3.44Å; L157-I161 PolarHBondContact O-N 2.94Å; L157-I161 VanDerWaalsContact O-N 3.09Å; S158-I161 PolarHBondContact O-N 2.9Å; G159-I161 VanDerWaalsContact C-N 3.32Å |
| 162 | E | 93.6 | Very high | 93.5 | Very high | 148 Ų | 148 | 76.9 Ų | 76.9 | 69% | 0.692 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -91.6 | -33.5 | -170.5 | -65.6 | 173.1 | -174 | 0 | 0 | 113.6 | S158 | S158-E162 PolarHBondContact O-N 3.39Å |
| 163 | R | 92.8 | Very high | 93.5 | Very high | 104 Ų | 104 | 79.4 Ų | 79.4 | 39% | 0.392 | 40% | 0.401 | S | S | . | . | trans | -136.6 | 42 | -168.8 | -59.8 | -178 | -61 | -161 | 7.6 | 111.9 | Q85 G159 H165 E166 I167 | Q85-R163 PolarHBondContact O-NH2 3.25Å; G159-R163 CarbonylContact O-C 3.4Å; G159-R163 VanDerWaalsContact O-CA 3.27Å; G159-R163 WeakPolarHBondContact O-CA 3.36Å; G159-R163 PolarHBondContact O-N 2.94Å; R163-H165 VanDerWaalsContact C-N 3.32Å; R163-H165 PolarHBondContact O-N 3.46Å; R163-E166 HydrophobicContact CB-CB 4.36Å; R163-E166 PolarHBondContact O-N 3.49Å; R163-I167 PolarHBondContact O-N 3.2Å | ||
| 164 | F | 92.1 | Very high | 93.6 | Very high | 103 Ų | 103 | 74.8 Ų | 74.8 | 45% | 0.452 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -48.5 | -50.6 | -175 | -176.7 | -100.9 | 0 | 0 | 0 | 112.9 | G159 M160 E166 I167 A168 | G159-F164 PolarHBondContact O-N 3.17Å; M160-F164 HydrophobicContact CE-CD2 4.44Å; M160-F164 HydrophobicContact CE-CE2 4.11Å; M160-F164 WeakPolarHBondContact O-CB 3.3Å; F164-E166 PolarHBondContact O-N 3.46Å; F164-I167 PolarHBondContact O-N 3.27Å; F164-A168 HydrophobicContact CD1-CB 4.29Å; F164-A168 HydrophobicContact CD2-CB 4.29Å; F164-A168 HydrophobicContact CE1-CB 4.01Å; F164-A168 HydrophobicContact CE2-CB 4.01Å; F164-A168 HydrophobicContact CG-CB 4.43Å; F164-A168 HydrophobicContact CZ-CB 3.87Å; F164-A168 WeakPolarHBondContact O-CB 3.39Å; F164-A168 PolarHBondContact O-N 3.33Å |
| 165 | H | 92.5 | Very high | 93.7 | Very high | 176 Ų | 176 | 75 Ų | 75 | 82% | 0.815 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.6 | -27.5 | -176.4 | -64.6 | -65.8 | 0 | 0 | 0 | 113.8 | R163 | R163-H165 VanDerWaalsContact C-N 3.32Å; R163-H165 PolarHBondContact O-N 3.46Å |
| 166 | E | 90.2 | Very high | 93.8 | Very high | 116 Ų | 116 | 71.7 Ų | 71.7 | 54% | 0.542 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -81.5 | -38.4 | -178.4 | -63.7 | 174.8 | -156.9 | 0 | 0 | 111.9 | Q85 R163 F164 | Q85-E166 PolarHBondContact NE2-O 2.86Å; Q85-E166 PolarHBondContact OE1-O 3.21Å; R163-E166 HydrophobicContact CB-CB 4.36Å; R163-E166 PolarHBondContact O-N 3.49Å; F164-E166 PolarHBondContact O-N 3.46Å |
| 167 | I | 92.9 | Very high | 94 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -104.8 | -16.5 | -170.3 | 71.3 | 153 | 0 | 0 | 0 | 114.4 | Q85 L86 M160 R163 F164 V169 N170 T171 | Q85-I167 HydrophobicContact CB-CG2 3.93Å; L86-I167 HydrophobicContact CD2-CD1 4.29Å; M160-I167 HydrophobicContact CB-CD1 4.35Å; M160-I167 HydrophobicContact CG-CD1 3.73Å; M160-I167 HydrophobicContact CG-CG1 4.44Å; M160-I167 VanDerWaalsContact N-CD1 3.32Å; R163-I167 PolarHBondContact O-N 3.2Å; F164-I167 PolarHBondContact O-N 3.27Å; I167-V169 PolarHBondContact O-N 3.16Å; I167-N170 PolarHBondContact O-N 3.42Å; I167-T171 WeakPolarHBondContact O-CB 3.47Å; I167-T171 PolarHBondContact O-N 3.25Å; I167-T171 PolarHBondContact O-OG1 3.44Å |
| 168 | A | 93 | Very high | 94.1 | Very high | 23 Ų | 23 | 67.2 Ų | 67.2 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.7 | -43.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F164 T171 L172 | F164-A168 HydrophobicContact CD1-CB 4.29Å; F164-A168 HydrophobicContact CD2-CB 4.29Å; F164-A168 HydrophobicContact CE1-CB 4.01Å; F164-A168 HydrophobicContact CE2-CB 4.01Å; F164-A168 HydrophobicContact CG-CB 4.43Å; F164-A168 HydrophobicContact CZ-CB 3.87Å; F164-A168 WeakPolarHBondContact O-CB 3.39Å; F164-A168 PolarHBondContact O-N 3.33Å; A168-T171 PolarHBondContact O-N 3.48Å; A168-L172 WeakPolarHBondContact O-CB 3.29Å; A168-L172 PolarHBondContact O-N 2.98Å |
| 169 | V | 93.9 | Very high | 94.2 | Very high | 97 Ų | 97 | 69.3 Ų | 69.3 | 59% | 0.588 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.4 | -49.7 | -178.7 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | I167 T171 L172 I173 | I167-V169 PolarHBondContact O-N 3.16Å; V169-T171 VanDerWaalsContact C-N 3.3Å; V169-T171 PolarHBondContact O-N 2.95Å; V169-L172 PolarHBondContact O-N 3.38Å; V169-I173 HydrophobicContact CG1-CD1 3.93Å; V169-I173 WeakPolarHBondContact O-CG1 3.4Å; V169-I173 PolarHBondContact O-N 3.21Å |
| 170 | N | 93.4 | Very high | 94.3 | Very high | 25 Ų | 25 | 71.8 Ų | 71.8 | 13% | 0.134 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 179.2 | -75 | -14.3 | 0 | 0 | 0 | 111.9 | L82 Q85 I167 I173 Y174 | L82-N170 HydrophobicContact CB-CB 3.99Å; L82-N170 HydrophobicContact CD1-CB 4.02Å; Q85-N170 PolarHBondContact OE1-ND2 3.04Å; I167-N170 PolarHBondContact O-N 3.42Å; N170-I173 PolarHBondContact O-N 2.91Å; N170-Y174 WeakPolarHBondContact O-CB 3.47Å; N170-Y174 PolarHBondContact O-N 3.33Å |
| 171 | T | 94.9 | Very high | 94.6 | Very high | 9 Ų | 9 | 68.1 Ų | 68.1 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 174.1 | -64 | 0 | 0 | 0 | 0 | 111.1 | L82 M156 M160 I167 A168 V169 Y174 F175 | L82-T171 WeakPolarHBondContact CD1-OG1 3.21Å; M156-T171 HydrophobicContact CE-CG2 3.47Å; M156-T171 VanDerWaalsContact CE-CG2 3.47Å; M160-T171 HydrophobicContact SD-CG2 4.4Å; I167-T171 WeakPolarHBondContact O-CB 3.47Å; I167-T171 PolarHBondContact O-N 3.25Å; I167-T171 PolarHBondContact O-OG1 3.44Å; A168-T171 PolarHBondContact O-N 3.48Å; V169-T171 VanDerWaalsContact C-N 3.3Å; V169-T171 PolarHBondContact O-N 2.95Å; T171-Y174 PolarHBondContact O-N 3.47Å; T171-F175 HydrophobicContact CG2-CD2 3.71Å; T171-F175 HydrophobicContact CG2-CE2 3.79Å; T171-F175 VanDerWaalsContact O-CD2 3.3Å; T171-F175 WeakPolarHBondContact O-CD2 3.27Å; T171-F175 PolarHBondContact O-N 2.83Å |
| 172 | L | 95.3 | Very high | 94.6 | Very high | 122 Ų | 122 | 67.9 Ų | 67.9 | 64% | 0.639 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.6 | -44.2 | 178.5 | 179.5 | 63.3 | 0 | 0 | 0 | 111.7 | A168 V169 Y174 F175 A176 | A168-L172 WeakPolarHBondContact O-CB 3.29Å; A168-L172 PolarHBondContact O-N 2.98Å; V169-L172 PolarHBondContact O-N 3.38Å; L172-Y174 VanDerWaalsContact C-N 3.34Å; L172-Y174 PolarHBondContact O-N 3.2Å; L172-F175 PolarHBondContact O-N 3.09Å; L172-A176 WeakPolarHBondContact O-CB 3.2Å; L172-A176 PolarHBondContact O-N 3.34Å |
| 173 | I | 95.3 | Very high | 94.7 | Very high | 62 Ų | 62 | 63.2 Ų | 63.2 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 177.3 | -68.9 | 165.8 | 0 | 0 | 0 | 110.4 | F78 Y80 V169 N170 A176 G177 | F78-I173 HydrophobicContact CB-CG2 4.48Å; Y80-I173 HydrophobicContact CD2-CG2 3.72Å; Y80-I173 HydrophobicContact CE2-CG2 3.77Å; V169-I173 HydrophobicContact CG1-CD1 3.93Å; V169-I173 WeakPolarHBondContact O-CG1 3.4Å; V169-I173 PolarHBondContact O-N 3.21Å; N170-I173 PolarHBondContact O-N 2.91Å; I173-A176 PolarHBondContact O-N 3.3Å; I173-G177 PolarHBondContact O-N 2.98Å |
| 174 | Y | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.5 | -46.7 | -180 | -179.8 | -95.6 | 0 | 0 | 0 | 112.5 | V77 F78 L82 F83 L145 L148 A149 N170 T171 L172 G177 T178 | V77-Y174 VanDerWaalsContact O-CD2 3.29Å; V77-Y174 WeakPolarHBondContact O-CD2 3.38Å; V77-Y174 VanDerWaalsContact O-CE2 3.25Å; V77-Y174 WeakPolarHBondContact O-CE2 3.06Å; F78-Y174 HydrophobicContact CB-CD2 4.13Å; L82-Y174 HydrophobicContact CD2-CD1 4.21Å; L82-Y174 HydrophobicContact CD2-CD2 4.18Å; L82-Y174 HydrophobicContact CD2-CG 3.72Å; F83-Y174 HydrophobicContact CE2-CD2 4.19Å; F83-Y174 AromaticContact CE2-CE2 3.93Å; F83-Y174 HydrophobicContact CE2-CE2 3.93Å; F83-Y174 HydrophobicContact CZ-CD2 4.45Å; F83-Y174 AromaticContact CZ-CE2 3.85Å; F83-Y174 HydrophobicContact CZ-CE2 3.85Å; L145-Y174 HydrophobicContact CD2-CE2 4.49Å; L145-Y174 PolarHBondContact O-OH 2.9Å; L148-Y174 WeakPolarHBondContact CB-OH 3.28Å; A149-Y174 HydrophobicContact CB-CE1 3.73Å; A149-Y174 PolarHBondContact N-OH 3.01Å; N170-Y174 WeakPolarHBondContact O-CB 3.47Å; N170-Y174 PolarHBondContact O-N 3.33Å; T171-Y174 PolarHBondContact O-N 3.47Å; L172-Y174 VanDerWaalsContact C-N 3.34Å; L172-Y174 PolarHBondContact O-N 3.2Å; Y174-G177 PolarHBondContact O-N 3.37Å; Y174-T178 WeakPolarHBondContact O-CB 3.5Å; Y174-T178 PolarHBondContact O-N 2.83Å; Y174-T178 PolarHBondContact O-OG1 2.82Å |
| 175 | F | 96.4 | Very high | 95.1 | Very high | 90 Ų | 90 | 53.8 Ų | 53.8 | 40% | 0.395 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.4 | -35.1 | 177.2 | -81.8 | -66.5 | 0 | 0 | 0 | 112.8 | A149 M156 T171 L172 T178 L179 | A149-F175 HydrophobicContact CB-CE1 4.3Å; M156-F175 HydrophobicContact CE-CD2 4.16Å; M156-F175 HydrophobicContact CE-CE2 3.41Å; M156-F175 VanDerWaalsContact CE-CE2 3.41Å; M156-F175 HydrophobicContact CE-CZ 4.07Å; M156-F175 HydrophobicContact SD-CE2 4.32Å; M156-F175 HydrophobicContact SD-CZ 4.42Å; T171-F175 HydrophobicContact CG2-CD2 3.71Å; T171-F175 HydrophobicContact CG2-CE2 3.79Å; T171-F175 VanDerWaalsContact O-CD2 3.3Å; T171-F175 WeakPolarHBondContact O-CD2 3.27Å; T171-F175 PolarHBondContact O-N 2.83Å; L172-F175 PolarHBondContact O-N 3.09Å; F175-T178 PolarHBondContact O-N 2.88Å; F175-L179 WeakPolarHBondContact O-CB 3.09Å; F175-L179 PolarHBondContact O-N 3.38Å |
| 176 | A | 96.5 | Very high | 95.3 | Very high | 54 Ų | 54 | 47.5 Ų | 47.5 | 45% | 0.446 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L172 I173 L179 F180 | L172-A176 WeakPolarHBondContact O-CB 3.2Å; L172-A176 PolarHBondContact O-N 3.34Å; I173-A176 PolarHBondContact O-N 3.3Å; A176-L179 PolarHBondContact O-N 3.01Å; A176-F180 WeakPolarHBondContact O-CB 3.27Å; A176-F180 PolarHBondContact O-N 3.19Å |
| 177 | G | 96.2 | Very high | 95.5 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I173 Y174 F180 N181 | I173-G177 PolarHBondContact O-N 2.98Å; Y174-G177 PolarHBondContact O-N 3.37Å; G177-F180 PolarHBondContact O-N 3.01Å; G177-N181 PolarHBondContact O-N 3.42Å; G177-N181 VanDerWaalsContact O-N 3.08Å; G177-N181 PolarHBondContact O-ND2 2.86Å |
| 178 | T | 96.8 | Very high | 95.6 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 7% | 0.067 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.2 | -46.4 | 175.4 | -59 | 0 | 0 | 0 | 0 | 111.3 | L145 I146 Y174 F175 N181 W182 | L145-T178 HydrophobicContact CB-CG2 4.02Å; I146-T178 HydrophobicContact CG1-CG2 4.06Å; Y174-T178 WeakPolarHBondContact O-CB 3.5Å; Y174-T178 PolarHBondContact O-N 2.83Å; Y174-T178 PolarHBondContact O-OG1 2.82Å; F175-T178 PolarHBondContact O-N 2.88Å; T178-N181 PolarHBondContact O-N 3.44Å; T178-W182 WeakPolarHBondContact O-CB 3.32Å; T178-W182 PolarHBondContact O-N 3.09Å |
| 179 | L | 95.8 | Very high | 95.8 | Very high | 101 Ų | 101 | 45.3 Ų | 45.3 | 53% | 0.529 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 178 | 179.7 | 62.5 | 0 | 0 | 0 | 111.7 | F175 A176 N181 W182 I183 | F175-L179 WeakPolarHBondContact O-CB 3.09Å; F175-L179 PolarHBondContact O-N 3.38Å; A176-L179 PolarHBondContact O-N 3.01Å; L179-N181 VanDerWaalsContact C-N 3.32Å; L179-N181 PolarHBondContact O-N 3.37Å; L179-W182 PolarHBondContact O-N 3.41Å; L179-I183 HydrophobicContact CD1-CD1 4.1Å; L179-I183 HydrophobicContact CD1-CG1 4.25Å; L179-I183 HydrophobicContact CG-CD1 3.96Å; L179-I183 WeakPolarHBondContact O-CG1 3.32Å; L179-I183 PolarHBondContact O-N 3.03Å |
| 180 | F | 95.9 | Very high | 95.8 | Very high | 53 Ų | 53 | 42.5 Ų | 42.5 | 23% | 0.232 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.3 | -45.9 | 175.9 | 180 | -96 | 0 | 0 | 0 | 111.5 | F31 V34 Q35 A176 G177 I183 F184 | F31-F180 HydrophobicContact CD1-CD1 4.23Å; F31-F180 HydrophobicContact CD1-CD2 4.13Å; F31-F180 AromaticContact CD1-CE1 3.63Å; F31-F180 HydrophobicContact CD1-CE1 3.63Å; F31-F180 AromaticContact CD1-CE2 3.52Å; F31-F180 HydrophobicContact CD1-CE2 3.52Å; F31-F180 HydrophobicContact CD1-CG 4.45Å; F31-F180 AromaticContact CD1-CZ 3.23Å; F31-F180 HydrophobicContact CD1-CZ 3.23Å; F31-F180 HydrophobicContact CE1-CD1 4.22Å; F31-F180 AromaticContact CE1-CD2 3.48Å; F31-F180 HydrophobicContact CE1-CD2 3.48Å; F31-F180 VanDerWaalsContact CE1-CD2 3.48Å; F31-F180 AromaticContact CE1-CE1 3.98Å; F31-F180 HydrophobicContact CE1-CE1 3.98Å; F31-F180 AromaticContact CE1-CE2 3.18Å; F31-F180 HydrophobicContact CE1-CE2 3.18Å; F31-F180 AromaticContact CE1-CG 3.99Å; F31-F180 HydrophobicContact CE1-CG 3.99Å; F31-F180 AromaticContact CE1-CZ 3.46Å; F31-F180 HydrophobicContact CE1-CZ 3.46Å; F31-F180 VanDerWaalsContact CE1-CZ 3.46Å; F31-F180 HydrophobicContact CG-CE2 4.49Å; F31-F180 HydrophobicContact CG-CZ 4.13Å; F31-F180 HydrophobicContact CZ-CD2 4.26Å; F31-F180 AromaticContact CZ-CE2 3.92Å; F31-F180 HydrophobicContact CZ-CE2 3.92Å; F31-F180 HydrophobicContact CZ-CZ 4.47Å; V34-F180 HydrophobicContact CB-CZ 4.15Å; V34-F180 HydrophobicContact CG1-CE1 4.07Å; V34-F180 HydrophobicContact CG1-CZ 3.81Å; Q35-F180 HydrophobicContact CG-CE1 4.34Å; Q35-F180 VanDerWaalsContact NE2-CE1 3.29Å; A176-F180 WeakPolarHBondContact O-CB 3.27Å; A176-F180 PolarHBondContact O-N 3.19Å; G177-F180 PolarHBondContact O-N 3.01Å; F180-I183 PolarHBondContact O-N 3.24Å; F180-F184 PolarHBondContact O-N 2.75Å |
| 181 | N | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68 | -37.1 | 177.4 | -83.6 | -69.9 | 0 | 0 | 0 | 113.3 | Q35 F78 Q138 Y141 S142 L145 G177 T178 L179 F184 T185 | Q35-N181 PolarHBondContact NE2-ND2 2.94Å; Q35-N181 PolarHBondContact NE2-OD1 2.01Å; F78-N181 WeakPolarHBondContact CE2-ND2 3.06Å; Q138-N181 PolarHBondContact NE2-O 3.3Å; Q138-N181 PolarHBondContact NE2-OD1 3.4Å; Y141-N181 WeakPolarHBondContact CD1-OD1 3.43Å; Y141-N181 VanDerWaalsContact CE1-CG 3.49Å; Y141-N181 WeakPolarHBondContact CE1-OD1 3.1Å; S142-N181 PolarHBondContact OG-O 3.17Å; S142-N181 VanDerWaalsContact OG-O 3.13Å; L145-N181 HydrophobicContact CD1-CB 4.16Å; G177-N181 PolarHBondContact O-N 3.42Å; G177-N181 VanDerWaalsContact O-N 3.08Å; G177-N181 PolarHBondContact O-ND2 2.86Å; T178-N181 PolarHBondContact O-N 3.44Å; L179-N181 VanDerWaalsContact C-N 3.32Å; L179-N181 PolarHBondContact O-N 3.37Å; N181-F184 PolarHBondContact O-N 3.11Å; N181-T185 WeakPolarHBondContact O-CB 3.44Å; N181-T185 PolarHBondContact O-N 2.82Å; N181-T185 PolarHBondContact O-OG1 3.27Å |
| 182 | W | 96.1 | Very high | 96 | Very high | 125 Ų | 125 | 42.3 Ų | 42.3 | 47% | 0.473 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.8 | -47.5 | 175 | -175.4 | -105.8 | 0 | 0 | 0 | 111.8 | I146 T178 L179 F184 T185 V186 | I146-W182 HydrophobicContact CD1-CD2 4.28Å; I146-W182 HydrophobicContact CD1-CE3 3.53Å; I146-W182 HydrophobicContact CD1-CZ3 3.67Å; T178-W182 WeakPolarHBondContact O-CB 3.32Å; T178-W182 PolarHBondContact O-N 3.09Å; L179-W182 PolarHBondContact O-N 3.41Å; W182-F184 VanDerWaalsContact C-N 3.31Å; W182-F184 PolarHBondContact O-N 2.84Å; W182-T185 WeakPolarHBondContact O-CB 3.04Å; W182-T185 PolarHBondContact O-N 3.34Å; W182-T185 VanDerWaalsContact O-N 3.14Å; W182-V186 PolarHBondContact O-N 3.15Å |
| 183 | I | 95.1 | Very high | 95.9 | Very high | 50 Ų | 50 | 41.9 Ų | 41.9 | 26% | 0.256 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 175.5 | -70 | 168.5 | 0 | 0 | 0 | 110.2 | F8 F31 L179 F180 T185 V186 I187 | F8-I183 HydrophobicContact CZ-CG2 4.14Å; F31-I183 HydrophobicContact CE1-CG2 4.43Å; F31-I183 HydrophobicContact CZ-CG2 3.96Å; L179-I183 HydrophobicContact CD1-CD1 4.1Å; L179-I183 HydrophobicContact CD1-CG1 4.25Å; L179-I183 HydrophobicContact CG-CD1 3.96Å; L179-I183 WeakPolarHBondContact O-CG1 3.32Å; L179-I183 PolarHBondContact O-N 3.03Å; F180-I183 PolarHBondContact O-N 3.24Å; I183-T185 VanDerWaalsContact C-N 3.29Å; I183-T185 PolarHBondContact O-N 3.27Å; I183-V186 PolarHBondContact O-N 3.4Å; I183-I187 HydrophobicContact CG2-CD1 3.75Å; I183-I187 HydrophobicContact CG2-CG1 4.43Å; I183-I187 WeakPolarHBondContact O-CG1 3.38Å; I183-I187 PolarHBondContact O-N 2.94Å |
| 184 | F | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 176.9 | -176 | -152.6 | 0 | 0 | 0 | 112 | T28 F31 A32 Q35 L114 L117 Q138 F180 N181 W182 V186 I187 I188 | T28-F184 HydrophobicContact CG2-CE2 4.21Å; F31-F184 HydrophobicContact CB-CB 4.29Å; F31-F184 HydrophobicContact CB-CD1 4.12Å; F31-F184 HydrophobicContact CB-CD2 3.31Å; F31-F184 HydrophobicContact CB-CE1 4.32Å; F31-F184 HydrophobicContact CB-CE2 3.56Å; F31-F184 HydrophobicContact CB-CG 3.64Å; F31-F184 HydrophobicContact CB-CZ 4.07Å; F31-F184 HydrophobicContact CD1-CB 3.52Å; F31-F184 HydrophobicContact CD1-CD2 4.16Å; F31-F184 AromaticContact CD1-CG 3.84Å; F31-F184 HydrophobicContact CD1-CG 3.84Å; F31-F184 HydrophobicContact CE1-CB 4.03Å; F31-F184 HydrophobicContact CG-CB 4.09Å; F31-F184 AromaticContact CG-CD2 3.83Å; F31-F184 HydrophobicContact CG-CD2 3.83Å; F31-F184 AromaticContact CG-CG 3.98Å; F31-F184 HydrophobicContact CG-CG 3.98Å; A32-F184 HydrophobicContact CB-CZ 4.1Å; Q35-F184 HydrophobicContact CG-CD1 4.04Å; Q35-F184 HydrophobicContact CG-CE1 4.05Å; L114-F184 HydrophobicContact CD2-CE1 4.05Å; L114-F184 HydrophobicContact CD2-CZ 4.32Å; L117-F184 HydrophobicContact CD2-CZ 4.04Å; Q138-F184 VanDerWaalsContact CD-CD1 3.42Å; Q138-F184 HydrophobicContact CG-CD1 3.85Å; Q138-F184 HydrophobicContact CG-CE1 4.08Å; Q138-F184 HydrophobicContact CG-CG 4.43Å; F180-F184 PolarHBondContact O-N 2.75Å; N181-F184 PolarHBondContact O-N 3.11Å; W182-F184 VanDerWaalsContact C-N 3.31Å; W182-F184 PolarHBondContact O-N 2.84Å; F184-V186 PolarHBondContact O-N 3.15Å; F184-I187 PolarHBondContact O-N 3.47Å; F184-I188 HydrophobicContact CE2-CB 4.25Å; F184-I188 HydrophobicContact CZ-CD1 4.45Å; F184-I188 WeakPolarHBondContact O-CG2 3.43Å; F184-I188 PolarHBondContact O-N 3.03Å |
| 185 | T | 97.2 | Very high | 95.7 | Very high | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.049 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.6 | -46.8 | 177 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | Q138 S142 N181 W182 I183 I187 I188 W189 | Q138-T185 WeakPolarHBondContact CG-OG1 3.47Å; Q138-T185 PolarHBondContact O-OG1 3Å; S142-T185 PolarHBondContact OG-OG1 3.24Å; N181-T185 WeakPolarHBondContact O-CB 3.44Å; N181-T185 PolarHBondContact O-N 2.82Å; N181-T185 PolarHBondContact O-OG1 3.27Å; W182-T185 WeakPolarHBondContact O-CB 3.04Å; W182-T185 PolarHBondContact O-N 3.34Å; W182-T185 VanDerWaalsContact O-N 3.14Å; I183-T185 VanDerWaalsContact C-N 3.29Å; I183-T185 PolarHBondContact O-N 3.27Å; T185-I187 PolarHBondContact O-N 2.85Å; T185-I188 VanDerWaalsContact O-CG2 3.29Å; T185-I188 WeakPolarHBondContact O-CG2 3.46Å; T185-W189 WeakPolarHBondContact O-CB 3.49Å; T185-W189 VanDerWaalsContact O-CD1 3.22Å; T185-W189 PolarHBondContact O-N 2.75Å; T185-W189 VanDerWaalsContact O-N 3.09Å |
| 186 | V | 95.4 | Very high | 95.6 | Very high | 45 Ų | 45 | 41.8 Ų | 41.8 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | V10 W182 I183 F184 W189 H190 | V10-V186 HydrophobicContact CB-CG1 4.45Å; V10-V186 HydrophobicContact CG1-CG1 4.4Å; V10-V186 HydrophobicContact CG2-CG1 4.15Å; W182-V186 PolarHBondContact O-N 3.15Å; I183-V186 PolarHBondContact O-N 3.4Å; F184-V186 PolarHBondContact O-N 3.15Å; V186-W189 PolarHBondContact O-N 3.47Å; V186-H190 PolarHBondContact O-CD2 3.33Å; V186-H190 VanDerWaalsContact O-CD2 3.28Å; V186-H190 PolarHBondContact O-N 3.28Å; V186-H190 VanDerWaalsContact O-N 3.08Å |
| 187 | I | 95.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.2 | -43.8 | -177.2 | -65.8 | 174.8 | 0 | 0 | 0 | 111.8 | F8 N24 I27 F31 I183 F184 T185 W189 H190 F191 | F8-I187 HydrophobicContact CZ-CD1 4.48Å; N24-I187 HydrophobicContact CB-CG2 4.38Å; I27-I187 HydrophobicContact CB-CG2 4.15Å; I27-I187 HydrophobicContact CG2-CD1 3.64Å; I27-I187 HydrophobicContact CG2-CG2 4.09Å; F31-I187 HydrophobicContact CE2-CD1 4.35Å; I183-I187 HydrophobicContact CG2-CD1 3.75Å; I183-I187 HydrophobicContact CG2-CG1 4.43Å; I183-I187 WeakPolarHBondContact O-CG1 3.38Å; I183-I187 PolarHBondContact O-N 2.94Å; F184-I187 PolarHBondContact O-N 3.47Å; T185-I187 PolarHBondContact O-N 2.85Å; I187-W189 VanDerWaalsContact C-N 3.3Å; I187-W189 PolarHBondContact O-N 3.39Å; I187-H190 PolarHBondContact O-N 2.96Å; I187-F191 WeakPolarHBondContact O-CB 3.4Å; I187-F191 PolarHBondContact O-N 3.44Å |
| 188 | I | 95.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.9 | -32.3 | 179.1 | -161.6 | -178.7 | 0 | 0 | 0 | 111.8 | T28 L117 A134 V135 Q138 F184 T185 Y192 | T28-I188 HydrophobicContact CG2-CG1 4.32Å; L117-I188 HydrophobicContact CD1-CD1 3.99Å; L117-I188 HydrophobicContact CD2-CD1 3.44Å; L117-I188 VanDerWaalsContact CD2-CD1 3.44Å; L117-I188 HydrophobicContact CD2-CG1 4.44Å; L117-I188 HydrophobicContact CG-CD1 4.36Å; A134-I188 HydrophobicContact CB-CD1 3.96Å; V135-I188 HydrophobicContact CG2-CD1 4.06Å; V135-I188 HydrophobicContact CG2-CG1 3.9Å; V135-I188 HydrophobicContact CG2-CG2 4.36Å; Q138-I188 HydrophobicContact CG-CG2 4.46Å; F184-I188 HydrophobicContact CE2-CB 4.25Å; F184-I188 HydrophobicContact CZ-CD1 4.45Å; F184-I188 WeakPolarHBondContact O-CG2 3.43Å; F184-I188 PolarHBondContact O-N 3.03Å; T185-I188 VanDerWaalsContact O-CG2 3.29Å; T185-I188 WeakPolarHBondContact O-CG2 3.46Å; I188-Y192 WeakPolarHBondContact O-CB 3.37Å; I188-Y192 PolarHBondContact O-N 3.22Å |
| 189 | W | 96.8 | Very high | 94.8 | Very high | 88 Ų | 88 | 45.6 Ų | 45.6 | 33% | 0.333 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.3 | -47.6 | 172.4 | -93.9 | 106.1 | 0 | 0 | 0 | 112.4 | V135 S139 T185 V186 I187 F191 Y192 W193 | V135-W189 HydrophobicContact CG1-CD2 3.52Å; V135-W189 HydrophobicContact CG1-CE3 3.97Å; V135-W189 HydrophobicContact CG1-CG 4Å; V135-W189 HydrophobicContact CG1-CH2 4Å; V135-W189 HydrophobicContact CG1-CZ2 3.53Å; V135-W189 HydrophobicContact CG1-CZ3 4.2Å; S139-W189 PolarHBondContact OG-NE1 2.77Å; T185-W189 WeakPolarHBondContact O-CB 3.49Å; T185-W189 VanDerWaalsContact O-CD1 3.22Å; T185-W189 PolarHBondContact O-N 2.75Å; T185-W189 VanDerWaalsContact O-N 3.09Å; V186-W189 PolarHBondContact O-N 3.47Å; I187-W189 VanDerWaalsContact C-N 3.3Å; I187-W189 PolarHBondContact O-N 3.39Å; W189-F191 PolarHBondContact O-N 2.89Å; W189-Y192 HydrophobicContact CE3-CD1 4.08Å; W189-Y192 HydrophobicContact CZ3-CD1 4.09Å; W189-Y192 HydrophobicContact CZ3-CE1 4.19Å; W189-Y192 WeakPolarHBondContact O-CB 3.5Å; W189-Y192 PolarHBondContact O-N 3.5Å; W189-W193 HydrophobicContact CD2-CZ2 4.42Å; W189-W193 AromaticContact CE3-CE2 3.68Å; W189-W193 AromaticContact CE3-CZ2 3.69Å; W189-W193 HydrophobicContact CE3-CZ2 3.69Å; W189-W193 AromaticContact CE3-NE1 3.63Å; W189-W193 HydrophobicContact CZ3-CZ2 4.2Å; W189-W193 AromaticContact CZ3-NE1 3.75Å; W189-W193 PolarHBondContact O-N 3.04Å |
| 190 | H | 94.8 | Very high | 94.5 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 18% | 0.176 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | 176.2 | -84.2 | -78.3 | 0 | 0 | 0 | 112.1 | V10 D12 V186 I187 Y192 W193 H194 | V10-H190 HydrophobicContact CG1-CB 3.77Å; V10-H190 WeakPolarHBondContact CG1-CD2 3.2Å; V10-H190 VanDerWaalsContact CG1-CG 3.49Å; D12-H190 IonicContact OD1-CE1 2.66Å; D12-H190 IonicContact OD1-CG 2.93Å; D12-H190 IonicContact OD1-ND1 3.65Å; D12-H190 PolarHBondContact OD1-ND1 3.37Å; V186-H190 PolarHBondContact O-CD2 3.33Å; V186-H190 VanDerWaalsContact O-CD2 3.28Å; V186-H190 PolarHBondContact O-N 3.28Å; V186-H190 VanDerWaalsContact O-N 3.08Å; I187-H190 PolarHBondContact O-N 2.96Å; H190-Y192 VanDerWaalsContact C-N 3.32Å; H190-Y192 PolarHBondContact O-N 3.38Å; H190-W193 AromaticContact CE1-CZ3 3.92Å; H190-W193 AromaticContact ND1-CE3 3.9Å; H190-W193 PolarHBondContact O-N 3.47Å; H190-H194 PolarHBondContact O-N 2.9Å |
| 191 | F | 94.9 | Very high | 94 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.035 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 173.7 | -177.5 | -132.1 | 0 | 0 | 0 | 112.1 | N24 R25 T28 L131 I187 W189 H194 V195 | N24-F191 HydrophobicContact CB-CB 3.97Å; N24-F191 HydrophobicContact CB-CD2 4.24Å; N24-F191 HydrophobicContact CB-CG 4.39Å; R25-F191 HydrophobicContact CB-CD2 4.45Å; R25-F191 HydrophobicContact CB-CE2 3.79Å; R25-F191 HydrophobicContact CB-CZ 3.91Å; R25-F191 HydrophobicContact CG-CE2 4.3Å; R25-F191 HydrophobicContact CG-CZ 3.94Å; T28-F191 HydrophobicContact CG2-CD1 4.3Å; L131-F191 HydrophobicContact CD2-CD1 3.67Å; L131-F191 HydrophobicContact CD2-CE1 3.62Å; L131-F191 HydrophobicContact CD2-CG 4.49Å; L131-F191 HydrophobicContact CD2-CZ 4.41Å; I187-F191 WeakPolarHBondContact O-CB 3.4Å; I187-F191 PolarHBondContact O-N 3.44Å; W189-F191 PolarHBondContact O-N 2.89Å; F191-H194 WeakPolarHBondContact O-CB 3.18Å; F191-H194 PolarHBondContact O-N 3.49Å; F191-V195 HydrophobicContact CD2-CG2 4.07Å; F191-V195 HydrophobicContact CE1-CG2 4.47Å; F191-V195 HydrophobicContact CE2-CG2 3.6Å; F191-V195 HydrophobicContact CZ-CG2 3.82Å; F191-V195 WeakPolarHBondContact O-CG2 3.48Å; F191-V195 PolarHBondContact O-N 3.24Å |
| 192 | Y | 95.7 | Very high | 93.3 | Very high | 23 Ų | 23 | 58 Ų | 58 | 9% | 0.09 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.3 | 167.5 | -103.2 | 0 | 0 | 0 | 112.4 | P128 L131 R132 V135 I188 W189 H190 H194 V195 K196 | P128-Y192 HydrophobicContact CB-CD2 4.47Å; P128-Y192 HydrophobicContact CB-CE2 3.91Å; P128-Y192 WeakPolarHBondContact O-CE2 3.33Å; L131-Y192 HydrophobicContact CB-CD2 4.03Å; R132-Y192 HydrophobicContact CG-CE2 3.82Å; V135-Y192 HydrophobicContact CG2-CG 4.24Å; I188-Y192 WeakPolarHBondContact O-CB 3.37Å; I188-Y192 PolarHBondContact O-N 3.22Å; W189-Y192 HydrophobicContact CE3-CD1 4.08Å; W189-Y192 HydrophobicContact CZ3-CD1 4.09Å; W189-Y192 HydrophobicContact CZ3-CE1 4.19Å; W189-Y192 WeakPolarHBondContact O-CB 3.5Å; W189-Y192 PolarHBondContact O-N 3.5Å; H190-Y192 VanDerWaalsContact C-N 3.32Å; H190-Y192 PolarHBondContact O-N 3.38Å; Y192-H194 VanDerWaalsContact C-N 3.35Å; Y192-V195 PolarHBondContact O-N 3.34Å; Y192-K196 HydrophobicContact CE1-CD 4.35Å; Y192-K196 VanDerWaalsContact O-CB 3.31Å; Y192-K196 WeakPolarHBondContact O-CB 3.19Å; Y192-K196 PolarHBondContact O-N 2.91Å |
| 193 | W | 94.8 | Very high | 92.6 | Very high | 112 Ų | 112 | 57.7 Ų | 57.7 | 42% | 0.424 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 176.6 | -68.9 | -31 | 0 | 0 | 0 | 112.4 | W189 H190 K196 A197 | W189-W193 HydrophobicContact CD2-CZ2 4.42Å; W189-W193 AromaticContact CE3-CE2 3.68Å; W189-W193 AromaticContact CE3-CZ2 3.69Å; W189-W193 HydrophobicContact CE3-CZ2 3.69Å; W189-W193 AromaticContact CE3-NE1 3.63Å; W189-W193 HydrophobicContact CZ3-CZ2 4.2Å; W189-W193 AromaticContact CZ3-NE1 3.75Å; W189-W193 PolarHBondContact O-N 3.04Å; H190-W193 AromaticContact CE1-CZ3 3.92Å; H190-W193 AromaticContact ND1-CE3 3.9Å; H190-W193 PolarHBondContact O-N 3.47Å; W193-K196 PolarHBondContact O-N 3.38Å; W193-A197 VanDerWaalsContact O-CB 3.32Å; W193-A197 WeakPolarHBondContact O-CB 3.24Å; W193-A197 PolarHBondContact O-N 3.1Å |
| 194 | H | 93.4 | Very high | 91.7 | Very high | 63 Ų | 63 | 59.5 Ų | 59.5 | 29% | 0.292 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.7 | -51.1 | 173.6 | 178.4 | 71.8 | 0 | 0 | 0 | 112.5 | D12 H190 F191 Y192 K196 A197 K198 | D12-H194 HydrophobicContact CB-CB 4.02Å; D12-H194 WeakPolarHBondContact O-CB 3.24Å; H190-H194 PolarHBondContact O-N 2.9Å; F191-H194 WeakPolarHBondContact O-CB 3.18Å; F191-H194 PolarHBondContact O-N 3.49Å; Y192-H194 VanDerWaalsContact C-N 3.35Å; H194-K196 VanDerWaalsContact C-N 3.31Å; H194-K196 PolarHBondContact O-N 2.71Å; H194-A197 PolarHBondContact O-N 3.16Å; H194-K198 PolarHBondContact O-N 3.17Å |
| 195 | V | 93.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 178.8 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | E126 P128 L131 F191 Y192 K198 A199 | E126-V195 HydrophobicContact CB-CG1 4.01Å; E126-V195 HydrophobicContact CG-CG2 4.48Å; E126-V195 WeakPolarHBondContact O-CG1 2.99Å; P128-V195 HydrophobicContact CG-CG1 3.98Å; L131-V195 HydrophobicContact CD2-CG2 4.29Å; F191-V195 HydrophobicContact CD2-CG2 4.07Å; F191-V195 HydrophobicContact CE1-CG2 4.47Å; F191-V195 HydrophobicContact CE2-CG2 3.6Å; F191-V195 HydrophobicContact CZ-CG2 3.82Å; F191-V195 WeakPolarHBondContact O-CG2 3.48Å; F191-V195 PolarHBondContact O-N 3.24Å; Y192-V195 PolarHBondContact O-N 3.34Å; V195-K198 PolarHBondContact O-N 2.93Å; V195-A199 WeakPolarHBondContact O-CB 3.43Å; V195-A199 PolarHBondContact O-N 3.33Å |
| 196 | K | 94 | Very high | 88.7 | Confident | 87 Ų | 87 | 71.2 Ų | 71.2 | 38% | 0.378 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 175.3 | -173.4 | -177.4 | 176.9 | -171.9 | 0 | 112.3 | P128 Y192 W193 H194 K198 A199 N200 | P128-K196 HydrophobicContact CB-CB 4.36Å; P128-K196 HydrophobicContact CG-CB 4.27Å; Y192-K196 HydrophobicContact CE1-CD 4.35Å; Y192-K196 VanDerWaalsContact O-CB 3.31Å; Y192-K196 WeakPolarHBondContact O-CB 3.19Å; Y192-K196 PolarHBondContact O-N 2.91Å; W193-K196 PolarHBondContact O-N 3.38Å; H194-K196 VanDerWaalsContact C-N 3.31Å; H194-K196 PolarHBondContact O-N 2.71Å; K196-K198 VanDerWaalsContact C-N 3.34Å; K196-A199 PolarHBondContact O-N 2.99Å; K196-N200 VanDerWaalsContact O-CG 3.28Å; K196-N200 PolarHBondContact O-N 2.72Å |
| 197 | A | 92.9 | Very high | 87.3 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 34% | 0.339 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | W193 H194 N200 R201 | W193-A197 VanDerWaalsContact O-CB 3.32Å; W193-A197 WeakPolarHBondContact O-CB 3.24Å; W193-A197 PolarHBondContact O-N 3.1Å; H194-A197 PolarHBondContact O-N 3.16Å; A197-N200 PolarHBondContact O-N 3.49Å; A197-R201 WeakPolarHBondContact O-CG 3.39Å; A197-R201 PolarHBondContact O-N 3.19Å |
| 198 | K | 90.4 | Very high | 85.8 | Confident | 88 Ų | 88 | 84.8 Ų | 84.8 | 38% | 0.383 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 174.6 | -173.5 | 178.8 | 173.2 | -175.5 | 0 | 111.7 | E126 H194 V195 K196 N200 R201 E202 | E126-K198 WeakPolarHBondContact OE2-CD 3.32Å; E126-K198 WeakPolarHBondContact OE2-CE 3.11Å; E126-K198 IonicContact OE2-NZ 3.81Å; E126-K198 PolarHBondContact OE2-NZ 2.72Å; H194-K198 PolarHBondContact O-N 3.17Å; V195-K198 PolarHBondContact O-N 2.93Å; K196-K198 VanDerWaalsContact C-N 3.34Å; K198-N200 VanDerWaalsContact C-N 3.29Å; K198-N200 PolarHBondContact O-N 3.05Å; K198-R201 PolarHBondContact O-N 3.32Å; K198-R201 VanDerWaalsContact O-N 3.14Å; K198-E202 PolarHBondContact O-N 2.73Å |
| 199 | A | 90 | Very high | 85.3 | Confident | 23 Ų | 23 | 89 Ų | 89 | 19% | 0.19 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -59.5 | -38.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P128 V195 K196 E202 V203 | P128-A199 HydrophobicContact CG-CB 3.89Å; V195-A199 WeakPolarHBondContact O-CB 3.43Å; V195-A199 PolarHBondContact O-N 3.33Å; K196-A199 PolarHBondContact O-N 2.99Å; A199-E202 PolarHBondContact O-N 3.38Å; A199-V203 WeakPolarHBondContact O-CG2 3.13Å; A199-V203 PolarHBondContact O-N 3.04Å |
| 200 | N | 89.3 | Confident | 84.7 | Confident | 90 Ų | 90 | 89.1 Ų | 89.1 | 48% | 0.481 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67 | -36.4 | 177.4 | -73.7 | -6.2 | 0 | 0 | 0 | 112.8 | K196 A197 K198 E202 V203 T204 | K196-N200 VanDerWaalsContact O-CG 3.28Å; K196-N200 PolarHBondContact O-N 2.72Å; A197-N200 PolarHBondContact O-N 3.49Å; K198-N200 VanDerWaalsContact C-N 3.29Å; K198-N200 PolarHBondContact O-N 3.05Å; N200-E202 VanDerWaalsContact C-N 3.28Å; N200-E202 PolarHBondContact O-N 3.42Å; N200-V203 PolarHBondContact O-N 3.14Å; N200-T204 PolarHBondContact O-N 3.33Å; N200-T204 PolarHBondContact O-OG1 3.33Å |
| 201 | R | 86.3 | Confident | 84.2 | Confident | 186 Ų | 186 | 91.9 Ų | 91.9 | 70% | 0.702 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.4 | -28.8 | 176.1 | -70.5 | 176.8 | -172.5 | -171.5 | 2.8 | 112.6 | A197 K198 T204 | A197-R201 WeakPolarHBondContact O-CG 3.39Å; A197-R201 PolarHBondContact O-N 3.19Å; K198-R201 PolarHBondContact O-N 3.32Å; K198-R201 VanDerWaalsContact O-N 3.14Å; R201-T204 CarbonylContact O-C 3.57Å; R201-T204 VanDerWaalsContact O-O 3.1Å |
| 202 | E | 81.4 | Confident | 83.5 | Confident | 137 Ų | 137 | 96.8 Ų | 96.8 | 64% | 0.64 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -73.9 | -32.9 | 175.6 | -68.7 | 171.7 | -173.6 | 0 | 0 | 112.1 | K198 A199 N200 | K198-E202 PolarHBondContact O-N 2.73Å; A199-E202 PolarHBondContact O-N 3.38Å; N200-E202 VanDerWaalsContact C-N 3.28Å; N200-E202 PolarHBondContact O-N 3.42Å |
| 203 | V | 81 | Confident | 82.8 | Confident | 120 Ų | 120 | 101.4 Ų | 101.4 | 73% | 0.727 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -78.5 | -37 | 177 | 176.9 | 0 | 0 | 0 | 0 | 112.2 | A199 N200 P205 | A199-V203 WeakPolarHBondContact O-CG2 3.13Å; A199-V203 PolarHBondContact O-N 3.04Å; N200-V203 PolarHBondContact O-N 3.14Å; V203-P205 WeakPolarHBondContact O-CD 3.38Å |
| 204 | T | 76.4 | Confident | 82 | Confident | 87 Ų | 87 | 100.7 Ų | 100.7 | 53% | 0.534 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -113.3 | 87 | 177.2 | 42 | 0 | 0 | 0 | 0 | 109.4 | N200 R201 Q206 | N200-T204 PolarHBondContact O-N 3.33Å; N200-T204 PolarHBondContact O-OG1 3.33Å; R201-T204 CarbonylContact O-C 3.57Å; R201-T204 VanDerWaalsContact O-O 3.1Å; T204-Q206 PolarHBondContact O-N 2.66Å |
| 205 | P | 67 | Low | 81.2 | Confident | 105 Ų | 105 | 103.4 Ų | 103.4 | 68% | 0.682 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 130.1 | 169 | 21.9 | -29.5 | 0 | 0 | 0 | 108 | V203 | V203-P205 WeakPolarHBondContact O-CD 3.38Š|
| 206 | Q | 64 | Low | 80.2 | Confident | 150 Ų | 150 | 111.3 Ų | 111.3 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 135.7 | 175.1 | -66.7 | -74.5 | -60.7 | 0 | 0 | 108.1 | T204 V208 | T204-Q206 PolarHBondContact O-N 2.66Å; Q206-V208 PolarHBondContact O-N 3.29Å |
| 207 | P | 66.7 | Low | 79.1 | Confident | 119 Ų | 119 | 113.3 Ų | 113.3 | 77% | 0.773 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 127.1 | 169.4 | 24.7 | -30.7 | 0 | 0 | 0 | 107.9 | ||
| 208 | V | 63.4 | Low | 77.8 | Confident | 214 Ų | 214 | 119.9 Ų | 119.9 | 100% | 1.297 | 65% | 0.646 | S | S | * | * | trans | -62.2 | 0 | 171.1 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | Q206 | Q206-V208 PolarHBondContact O-N 3.29Š|
Retrieved 208 of 208 residues in 190.2 ms
(Link to these results)