| 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 | 38.6 | Very low | 34.5 | Very low | 242 Ų | 242 | 156.9 Ų | 156.9 | 100% | 1.192 | 85% | 0.847 | S | S | * | * | 0 | 123.9 | 0 | -138.5 | 165.9 | -179.1 | 0 | 0 | 107 | L3 | M1-L3 PolarHBondContact O-N 3.45Š| |||
| 2 | S | 36.3 | Very low | 34.2 | Very low | 100 Ų | 100 | 154.5 Ų | 154.5 | 70% | 0.699 | 83% | 0.833 | S | S | * | * | trans | -56.5 | 115.8 | -170.8 | 169.8 | 0 | 0 | 0 | 0 | 112.9 | K4 | S2-K4 VanDerWaalsContact C-N 3.35Å; S2-K4 PolarHBondContact O-N 3.33Å | ||
| 3 | L | 36.6 | Very low | 34.9 | Very low | 176 Ų | 176 | 152.5 Ų | 152.5 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | -88.7 | 78.5 | 160.5 | -93.3 | 149.1 | 0 | 0 | 0 | 107.9 | M1 | M1-L3 PolarHBondContact O-N 3.45Š| ||
| 4 | K | 31.9 | Very low | 35.1 | Very low | 175 Ų | 175 | 147 Ų | 147 | 76% | 0.761 | 81% | 0.812 | S | S | * | * | trans | -116.6 | 121.6 | 159.6 | -87.5 | -175.1 | 174.7 | -178.8 | 0 | 105.3 | S2 | S2-K4 VanDerWaalsContact C-N 3.35Å; S2-K4 PolarHBondContact O-N 3.33Å | ||
| 5 | E | 34.5 | Very low | 35.3 | Very low | 188 Ų | 188 | 146.9 Ų | 146.9 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | 129.7 | 95.2 | 176.6 | -78.4 | 166.1 | -162.3 | 0 | 0 | 106.1 | ||||
| 6 | S | 37.2 | Very low | 35.7 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | -155.1 | 109.5 | 61.1 | 47.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 7 | L | 31.4 | Very low | 36.4 | Very low | 171 Ų | 171 | 148 Ų | 148 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -104.6 | 72.4 | 162.9 | -94.9 | 155.7 | 0 | 0 | 0 | 107.2 | ||||
| 8 | T | 32.1 | Very low | 36.7 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -148.8 | 87.5 | 169.8 | 48.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 9 | D | 31.7 | Very low | 37.6 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | 177.2 | 46.3 | 146.1 | -90.1 | -13.4 | 0 | 0 | 0 | 112.6 | ||||
| 10 | V | 35.9 | Very low | 38.7 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -105.1 | -3.9 | 176 | -175.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 11 | N | 33.6 | Very low | 40 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -112.7 | 56.3 | -179.2 | -75.6 | -13.6 | 0 | 0 | 0 | 113.6 | P13 | N11-P13 VanDerWaalsContact C-CD 3.44Å; N11-P13 VanDerWaalsContact O-CD 3.27Å; N11-P13 WeakPolarHBondContact O-CD 3.29Å | ||
| 12 | N | 30.9 | Very low | 41.5 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | trans | -109.2 | 84.4 | 161.5 | -142.5 | -4.3 | 0 | 0 | 0 | 109.8 | S14 | N12-S14 PolarHBondContact O-N 3.27Å; N12-S14 PolarHBondContact OD1-OG 3.23Å | ||
| 13 | P | 42.5 | Very low | 43.2 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 83% | 0.831 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 19.2 | -179.3 | 30.5 | -34.3 | 0 | 0 | 0 | 114 | N11 | N11-P13 VanDerWaalsContact C-CD 3.44Å; N11-P13 VanDerWaalsContact O-CD 3.27Å; N11-P13 WeakPolarHBondContact O-CD 3.29Å |
| 14 | S | 37.6 | Very low | 45.1 | Very low | 76 Ų | 76 | 129.6 Ų | 129.6 | 53% | 0.531 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.6 | 22.1 | -175.4 | 65.6 | 0 | 0 | 0 | 0 | 114.6 | N12 I16 | N12-S14 PolarHBondContact O-N 3.27Å; N12-S14 PolarHBondContact OD1-OG 3.23Å; S14-I16 PolarHBondContact O-N 3.45Å |
| 15 | I | 39.3 | Very low | 46.6 | Very low | 145 Ų | 145 | 123.7 Ų | 123.7 | 74% | 0.744 | 66% | 0.662 | S | S | * | * | trans | -74.4 | 71.8 | 151.3 | -49.6 | 178.5 | 0 | 0 | 0 | 106.8 | K17 | I15-K17 HydrophobicContact CG2-CG 4.43Å; I15-K17 PolarHBondContact O-N 2.98Å | ||
| 16 | I | 40.9 | Very low | 47.9 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 72% | 0.718 | 66% | 0.663 | S | S | * | * | trans | -56.3 | 97.5 | 156.8 | -65.5 | 161.7 | 0 | 0 | 0 | 103.7 | S14 K18 | S14-I16 PolarHBondContact O-N 3.45Å; I16-K18 PolarHBondContact O-N 3.45Å | ||
| 17 | K | 47.1 | Very low | 48.8 | Very low | 173 Ų | 173 | 120.9 Ų | 120.9 | 75% | 0.752 | 64% | 0.642 | S | S | * | * | trans | -55.6 | 105.9 | 175.1 | -75.6 | 179.7 | 179.4 | 173.7 | 0 | 105.3 | I15 P19 | I15-K17 HydrophobicContact CG2-CG 4.43Å; I15-K17 PolarHBondContact O-N 2.98Å; K17-P19 VanDerWaalsContact O-N 3.12Å | ||
| 18 | K | 43 | Very low | 49.9 | Very low | 188 Ų | 188 | 122.4 Ų | 122.4 | 82% | 0.817 | 64% | 0.641 | S | S | * | * | trans | -47.4 | 125.7 | 177.2 | -80 | -174.9 | 175.8 | -177.8 | 0 | 107 | I16 I20 | I16-K18 PolarHBondContact O-N 3.45Å; K18-I20 PolarHBondContact O-N 3.1Å | ||
| 19 | P | 53.4 | Low | 51.1 | Low | 72 Ų | 72 | 121.8 Ų | 121.8 | 47% | 0.468 | 63% | 0.633 | S | S | . | * | trans | -53.6 | 138.2 | 175.4 | 20.6 | -29.4 | 0 | 0 | 0 | 108.1 | K17 E21 | K17-P19 VanDerWaalsContact O-N 3.12Å; P19-E21 PolarHBondContact O-N 2.96Å | ||
| 20 | I | 59.6 | Low | 52.6 | Low | 100 Ų | 100 | 116.7 Ų | 116.7 | 51% | 0.513 | 61% | 0.605 | S | S | . | * | trans | -63.9 | 101.6 | 178.6 | -62.5 | 168.9 | 0 | 0 | 0 | 106.5 | K18 R22 R377 A380 | K18-I20 PolarHBondContact O-N 3.1Å; I20-R22 PolarHBondContact O-N 2.76Å; I20-R377 HydrophobicContact CD1-CG 4.2Å; I20-A380 HydrophobicContact CD1-CB 4.12Å; I20-A380 HydrophobicContact CG2-CB 3.97Å | ||
| 21 | E | 64.8 | Low | 53.9 | Low | 160 Ų | 160 | 111.1 Ų | 111.1 | 75% | 0.748 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 127.1 | 178.8 | -71.4 | -176.1 | 179.7 | 0 | 0 | 109.4 | P19 | P19-E21 PolarHBondContact O-N 2.96Š|
| 22 | R | 72.2 | Confident | 55.2 | Low | 44 Ų | 44 | 104.7 Ų | 104.7 | 17% | 0.166 | 54% | 0.536 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 144.9 | 173.6 | -170.1 | 171.8 | -170.6 | 126.9 | 6.6 | 109.7 | I20 R87 S284 Y285 A369 D373 | I20-R22 PolarHBondContact O-N 2.76Å; R22-R87 VanDerWaalsContact CD-O 3.23Å; R22-R87 WeakPolarHBondContact CD-O 3.31Å; R22-R87 PolarHBondContact NH1-O 2.87Å; R22-S284 PolarHBondContact NE-OG 3.09Å; R22-S284 PolarHBondContact NH2-OG 2.95Å; R22-S284 VanDerWaalsContact NH2-OG 3.15Å; R22-Y285 HydrophobicContact CG-CD1 3.8Å; R22-Y285 HydrophobicContact CG-CE1 3.57Å; R22-Y285 PolarHBondContact NH2-OH 3.17Å; R22-A369 VanDerWaalsContact NH2-CB 3.29Å; R22-D373 IonicContact NH1-OD1 2.74Å; R22-D373 PolarHBondContact NH1-OD1 3.19Å; R22-D373 IonicContact NH1-OD2 3.81Å |
| 23 | A | 71.3 | Confident | 56.6 | Low | 71 Ų | 71 | 100.2 Ų | 100.2 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 151.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y285 | A23-Y285 HydrophobicContact CB-CD1 4.41Å; A23-Y285 HydrophobicContact CB-CE1 4.32Å; A23-Y285 WeakPolarHBondContact O-CD1 3.4Å |
| 24 | Q | 75.8 | Confident | 57.8 | Low | 89 Ų | 89 | 95.5 Ų | 95.5 | 42% | 0.416 | 48% | 0.482 | S | S | . | . | trans | -128.8 | 146.4 | 179 | -69.1 | 179.1 | -24 | 0 | 0 | 108.9 | K26 Y285 | Q24-K26 PolarHBondContact O-N 3.11Å; Q24-Y285 WeakPolarHBondContact CA-O 3.38Å | ||
| 25 | W | 62.9 | Low | 59.1 | Low | 50 Ų | 50 | 92.1 Ų | 92.1 | 19% | 0.189 | 46% | 0.458 | C | S | . | . | trans | -56 | 137.9 | 171.1 | -61.7 | 106.6 | 0 | 0 | 0 | 110.1 | D30 F31 S34 F282 Y285 N286 | W25-D30 HydrophobicContact CB-CB 4.38Å; W25-D30 HydrophobicContact CD2-CB 4.34Å; W25-D30 HydrophobicContact CE3-CB 3.7Å; W25-D30 HydrophobicContact CZ3-CB 4.39Å; W25-F31 HydrophobicContact CD2-CB 4.29Å; W25-F31 HydrophobicContact CG-CB 4.21Å; W25-F31 HydrophobicContact CZ2-CD2 4.4Å; W25-F31 AromaticContact NE1-CD2 3.73Å; W25-S34 WeakPolarHBondContact CH2-OG 3.33Å; W25-S34 WeakPolarHBondContact CZ3-OG 3.39Å; W25-F282 HydrophobicContact CH2-CD1 4.26Å; W25-F282 HydrophobicContact CH2-CE1 4.26Å; W25-F282 HydrophobicContact CZ2-CB 4.23Å; W25-F282 AromaticContact CZ2-CD1 3.89Å; W25-F282 HydrophobicContact CZ2-CD1 3.89Å; W25-F282 HydrophobicContact CZ2-CE1 4.35Å; W25-F282 HydrophobicContact CZ2-CG 4.08Å; W25-F282 PolarHBondContact NE1-O 2.89Å; W25-Y285 VanDerWaalsContact CD1-O 3.23Å; W25-Y285 HydrophobicContact CZ2-CD2 4.41Å; W25-Y285 PolarHBondContact N-O 2.87Å; W25-Y285 VanDerWaalsContact NE1-CB 3.29Å; W25-N286 PolarHBondContact NE1-OD1 3.28Å | ||
| 26 | K | 62.9 | Low | 60.1 | Low | 208 Ų | 208 | 87.2 Ų | 87.2 | 90% | 0.904 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -82.3 | -45.5 | -176.3 | -68 | -177.5 | 179.6 | 178 | 0 | 111.1 | Q24 | Q24-K26 PolarHBondContact O-N 3.11Š|
| 27 | G | 56.2 | Low | 61.2 | Low | 30 Ų | 30 | 80.6 Ų | 80.6 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -97.1 | 155.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I29 D30 | G27-I29 VanDerWaalsContact C-N 3.25Å; G27-I29 PolarHBondContact O-N 3.49Å; G27-D30 WeakPolarHBondContact CA-OD1 3.34Å; G27-D30 WeakPolarHBondContact CA-OD2 3.24Å; G27-D30 PolarHBondContact N-OD2 2.93Å |
| 28 | K | 53.2 | Low | 62.2 | Low | 204 Ų | 204 | 73 Ų | 73 | 89% | 0.887 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -27.6 | 177.7 | -66.5 | -176.5 | 179.3 | -179.8 | 0 | 113 | ||
| 29 | I | 57.7 | Low | 63.3 | Low | 101 Ų | 101 | 64.9 Ų | 64.9 | 52% | 0.518 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -8.1 | -175 | 64.4 | 175.7 | 0 | 0 | 0 | 113.3 | G27 F31 L32 I33 | G27-I29 VanDerWaalsContact C-N 3.25Å; G27-I29 PolarHBondContact O-N 3.49Å; I29-F31 VanDerWaalsContact C-N 3.33Å; I29-F31 PolarHBondContact O-N 3.44Å; I29-L32 WeakPolarHBondContact O-CB 3.29Å; I29-L32 PolarHBondContact O-N 3.02Å; I29-L32 VanDerWaalsContact O-N 3.09Å; I29-I33 HydrophobicContact CB-CD1 4.3Å; I29-I33 HydrophobicContact CD1-CD1 3.75Å; I29-I33 HydrophobicContact CG1-CD1 3.83Å; I29-I33 WeakPolarHBondContact O-CG1 3.42Å; I29-I33 PolarHBondContact O-N 3.34Å |
| 30 | D | 62.9 | Low | 63.8 | Low | 55 Ų | 55 | 61.5 Ų | 61.5 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | -174.6 | -61.1 | 2.1 | 0 | 0 | 0 | 111.4 | W25 G27 L32 I33 S34 | W25-D30 HydrophobicContact CB-CB 4.38Å; W25-D30 HydrophobicContact CD2-CB 4.34Å; W25-D30 HydrophobicContact CE3-CB 3.7Å; W25-D30 HydrophobicContact CZ3-CB 4.39Å; G27-D30 WeakPolarHBondContact CA-OD1 3.34Å; G27-D30 WeakPolarHBondContact CA-OD2 3.24Å; G27-D30 PolarHBondContact N-OD2 2.93Å; D30-L32 VanDerWaalsContact C-N 3.34Å; D30-L32 PolarHBondContact O-N 3.48Å; D30-I33 PolarHBondContact O-N 2.89Å; D30-S34 WeakPolarHBondContact O-CB 3.47Å; D30-S34 PolarHBondContact O-N 3.24Å; D30-S34 PolarHBondContact O-OG 3.39Å |
| 31 | F | 64.3 | Low | 64.2 | Low | 15 Ų | 15 | 57 Ų | 57 | 7% | 0.066 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 174.6 | 167.5 | -108.3 | 0 | 0 | 0 | 112.1 | W25 I29 S34 C35 V80 F282 N286 | W25-F31 HydrophobicContact CD2-CB 4.29Å; W25-F31 HydrophobicContact CG-CB 4.21Å; W25-F31 HydrophobicContact CZ2-CD2 4.4Å; W25-F31 AromaticContact NE1-CD2 3.73Å; I29-F31 VanDerWaalsContact C-N 3.33Å; I29-F31 PolarHBondContact O-N 3.44Å; F31-S34 PolarHBondContact O-N 3.07Å; F31-C35 WeakPolarHBondContact CE2-SG 3.4Å; F31-C35 WeakPolarHBondContact CZ-SG 3.3Å; F31-C35 WeakPolarHBondContact O-CB 3.49Å; F31-C35 PolarHBondContact O-N 3.43Å; F31-C35 PolarHBondContact O-SG 2.99Å; F31-V80 HydrophobicContact CE2-CG1 4.44Å; F31-V80 HydrophobicContact CZ-CG1 3.76Å; F31-V80 HydrophobicContact CZ-CG2 4.02Å; F31-F282 HydrophobicContact CD2-CB 3.94Å; F31-F282 HydrophobicContact CE2-CB 3.67Å; F31-N286 WeakPolarHBondContact CB-OD1 3.34Å; F31-N286 WeakPolarHBondContact CD1-ND2 3.48Å; F31-N286 VanDerWaalsContact CD2-CG 3.43Å; F31-N286 VanDerWaalsContact CD2-ND2 3.25Å; F31-N286 WeakPolarHBondContact CD2-ND2 3.47Å; F31-N286 WeakPolarHBondContact CD2-OD1 2.86Å; F31-N286 VanDerWaalsContact CE1-ND2 3.26Å; F31-N286 WeakPolarHBondContact CE1-ND2 3.39Å; F31-N286 WeakPolarHBondContact CE2-ND2 3.38Å; F31-N286 WeakPolarHBondContact CG-ND2 3.13Å; F31-N286 WeakPolarHBondContact CG-OD1 3.2Å; F31-N286 WeakPolarHBondContact CZ-ND2 3.49Å |
| 32 | L | 60.1 | Low | 64.6 | Low | 22 Ų | 22 | 49.5 Ų | 49.5 | 12% | 0.115 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.7 | -47.3 | -178.1 | -82.3 | 175.4 | 0 | 0 | 0 | 111.2 | I29 D30 S34 C35 M36 H290 | I29-L32 WeakPolarHBondContact O-CB 3.29Å; I29-L32 PolarHBondContact O-N 3.02Å; I29-L32 VanDerWaalsContact O-N 3.09Å; D30-L32 VanDerWaalsContact C-N 3.34Å; D30-L32 PolarHBondContact O-N 3.48Å; L32-S34 VanDerWaalsContact C-N 3.27Å; L32-S34 PolarHBondContact O-N 2.89Å; L32-C35 PolarHBondContact O-N 2.99Å; L32-M36 VanDerWaalsContact O-CB 3.29Å; L32-M36 WeakPolarHBondContact O-CB 3.49Å; L32-M36 VanDerWaalsContact O-CG 3.26Å; L32-M36 WeakPolarHBondContact O-CG 3.29Å; L32-M36 PolarHBondContact O-N 2.98Å; L32-H290 HydrophobicContact CD1-CB 4.32Å; L32-H290 WeakPolarHBondContact CD2-O 3.05Å |
| 33 | I | 60.6 | Low | 64.5 | Low | 33 Ų | 33 | 47.8 Ų | 47.8 | 17% | 0.169 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 177.3 | -67.2 | 167.8 | 0 | 0 | 0 | 110 | I29 D30 M36 G37 A220 L221 | I29-I33 HydrophobicContact CB-CD1 4.3Å; I29-I33 HydrophobicContact CD1-CD1 3.75Å; I29-I33 HydrophobicContact CG1-CD1 3.83Å; I29-I33 WeakPolarHBondContact O-CG1 3.42Å; I29-I33 PolarHBondContact O-N 3.34Å; D30-I33 PolarHBondContact O-N 2.89Å; I33-M36 HydrophobicContact CG1-CE 4.14Å; I33-M36 PolarHBondContact O-N 3Å; I33-G37 PolarHBondContact O-N 3.42Å; I33-A220 HydrophobicContact CG2-CB 4.02Å; I33-L221 HydrophobicContact CD1-CD2 4.13Å; I33-L221 HydrophobicContact CG1-CD2 4.3Å; I33-L221 HydrophobicContact CG2-CD2 3.81Å; I33-L221 HydrophobicContact CG2-CG 4.49Å |
| 34 | S | 67.6 | Low | 64.6 | Low | 30 Ų | 30 | 44.9 Ų | 44.9 | 21% | 0.21 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -46.3 | 178.1 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | W25 D30 F31 L32 M36 G37 F38 | W25-S34 WeakPolarHBondContact CH2-OG 3.33Å; W25-S34 WeakPolarHBondContact CZ3-OG 3.39Å; D30-S34 WeakPolarHBondContact O-CB 3.47Å; D30-S34 PolarHBondContact O-N 3.24Å; D30-S34 PolarHBondContact O-OG 3.39Å; F31-S34 PolarHBondContact O-N 3.07Å; L32-S34 VanDerWaalsContact C-N 3.27Å; L32-S34 PolarHBondContact O-N 2.89Å; S34-M36 VanDerWaalsContact C-N 3.33Å; S34-M36 PolarHBondContact O-N 3.22Å; S34-G37 PolarHBondContact O-N 3.03Å; S34-F38 WeakPolarHBondContact O-CB 3.29Å; S34-F38 PolarHBondContact O-N 3.37Å |
| 35 | C | 64.7 | Low | 64.4 | Low | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.5 | -42.3 | 175.3 | -70.2 | 0 | 0 | 0 | 0 | 111.6 | F31 L32 S39 F76 | F31-C35 WeakPolarHBondContact CE2-SG 3.4Å; F31-C35 WeakPolarHBondContact CZ-SG 3.3Å; F31-C35 WeakPolarHBondContact O-CB 3.49Å; F31-C35 PolarHBondContact O-N 3.43Å; F31-C35 PolarHBondContact O-SG 2.99Å; L32-C35 PolarHBondContact O-N 2.99Å; C35-S39 WeakPolarHBondContact O-CB 3.45Å; C35-S39 PolarHBondContact O-N 3.38Å; C35-S39 PolarHBondContact O-OG 3.24Å; C35-F76 HydrophobicContact CB-CE2 4.47Å; C35-F76 HydrophobicContact CB-CZ 4.26Å |
| 36 | M | 61.1 | Low | 64.8 | Low | 42 Ų | 42 | 39.5 Ų | 39.5 | 21% | 0.207 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -55.6 | 177.3 | -78.7 | -169.3 | -67.5 | 0 | 0 | 110.1 | L32 I33 S34 F38 S39 I40 S292 | L32-M36 VanDerWaalsContact O-CB 3.29Å; L32-M36 WeakPolarHBondContact O-CB 3.49Å; L32-M36 VanDerWaalsContact O-CG 3.26Å; L32-M36 WeakPolarHBondContact O-CG 3.29Å; L32-M36 PolarHBondContact O-N 2.98Å; I33-M36 HydrophobicContact CG1-CE 4.14Å; I33-M36 PolarHBondContact O-N 3Å; S34-M36 VanDerWaalsContact C-N 3.33Å; S34-M36 PolarHBondContact O-N 3.22Å; M36-F38 VanDerWaalsContact C-N 3.29Å; M36-F38 PolarHBondContact O-N 3.23Å; M36-S39 CarbonylContact O-C 3.59Å; M36-S39 PolarHBondContact O-N 3.47Å; M36-I40 WeakPolarHBondContact O-CG1 3.26Å; M36-I40 PolarHBondContact O-N 2.81Å; M36-S292 WeakPolarHBondContact SD-CB 3.25Å; M36-S292 PolarHBondContact SD-OG 3.49Å |
| 37 | G | 62.8 | Low | 65.5 | Low | 2 Ų | 2 | 32.2 Ų | 32.2 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -50.1 | -48.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I33 S34 I40 G41 | I33-G37 PolarHBondContact O-N 3.42Å; S34-G37 PolarHBondContact O-N 3.03Å; G37-I40 PolarHBondContact O-N 3.14Å; G37-G41 PolarHBondContact O-N 3.39Å |
| 38 | F | 70.1 | Confident | 66.7 | Low | 13 Ų | 13 | 31.1 Ų | 31.1 | 6% | 0.057 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 176.1 | -170.3 | -128.5 | 0 | 0 | 0 | 112.9 | S34 M36 I40 G41 S273 L276 V278 F282 S359 A362 | S34-F38 WeakPolarHBondContact O-CB 3.29Å; S34-F38 PolarHBondContact O-N 3.37Å; M36-F38 VanDerWaalsContact C-N 3.29Å; M36-F38 PolarHBondContact O-N 3.23Å; F38-I40 VanDerWaalsContact C-N 3.34Å; F38-I40 PolarHBondContact O-N 3.03Å; F38-G41 PolarHBondContact O-N 3.43Å; F38-S273 WeakPolarHBondContact CD1-OG 3.39Å; F38-S273 WeakPolarHBondContact CE1-OG 3.42Å; F38-L276 HydrophobicContact CE1-CD1 4.32Å; F38-L276 HydrophobicContact CZ-CD1 3.82Å; F38-V278 HydrophobicContact CD1-CB 4.18Å; F38-V278 HydrophobicContact CD1-CG1 3.67Å; F38-V278 HydrophobicContact CE1-CB 3.41Å; F38-V278 VanDerWaalsContact CE1-CB 3.41Å; F38-V278 HydrophobicContact CE1-CG1 3.38Å; F38-V278 HydrophobicContact CE1-CG2 3.8Å; F38-V278 HydrophobicContact CE2-CG1 4.39Å; F38-V278 HydrophobicContact CE2-CG2 4.45Å; F38-V278 HydrophobicContact CG-CG1 4.27Å; F38-V278 HydrophobicContact CZ-CB 3.8Å; F38-V278 HydrophobicContact CZ-CG1 3.83Å; F38-V278 HydrophobicContact CZ-CG2 3.6Å; F38-F282 HydrophobicContact CB-CE2 4.36Å; F38-S359 WeakPolarHBondContact CE2-O 3.27Å; F38-A362 HydrophobicContact CB-CB 3.9Å; F38-A362 HydrophobicContact CD1-CB 4.36Å; F38-A362 HydrophobicContact CD2-CB 3.26Å; F38-A362 HydrophobicContact CE2-CB 3.82Å; F38-A362 HydrophobicContact CG-CB 3.61Å |
| 39 | S | 65.5 | Low | 67.8 | Low | 17 Ų | 17 | 21.4 Ų | 21.4 | 12% | 0.119 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.3 | -28.6 | -179.4 | -59.1 | 0 | 0 | 0 | 0 | 112.7 | C35 M36 N44 S271 | C35-S39 WeakPolarHBondContact O-CB 3.45Å; C35-S39 PolarHBondContact O-N 3.38Å; C35-S39 PolarHBondContact O-OG 3.24Å; M36-S39 CarbonylContact O-C 3.59Å; M36-S39 PolarHBondContact O-N 3.47Å; S39-N44 PolarHBondContact O-ND2 2.94Å; S39-S271 CarbonylContact C-O 3.58Å; S39-S271 VanDerWaalsContact CA-O 3.24Å; S39-S271 WeakPolarHBondContact CA-O 3.5Å; S39-S271 WeakPolarHBondContact CB-O 3.43Å |
| 40 | I | 63.9 | Low | 68.8 | Low | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.9 | -56.1 | 170.9 | -34.4 | -167.1 | 0 | 0 | 0 | 108.4 | M36 G37 F38 N44 Y224 R294 L355 | M36-I40 WeakPolarHBondContact O-CG1 3.26Å; M36-I40 PolarHBondContact O-N 2.81Å; G37-I40 PolarHBondContact O-N 3.14Å; F38-I40 VanDerWaalsContact C-N 3.34Å; F38-I40 PolarHBondContact O-N 3.03Å; I40-N44 WeakPolarHBondContact O-CB 3.39Å; I40-N44 VanDerWaalsContact O-CG 3.3Å; I40-N44 PolarHBondContact O-N 3.01Å; I40-N44 PolarHBondContact O-ND2 3.34Å; I40-Y224 HydrophobicContact CD1-CD1 4.45Å; I40-Y224 HydrophobicContact CD1-CE1 3.55Å; I40-Y224 HydrophobicContact CD1-CE2 3.7Å; I40-Y224 WeakPolarHBondContact CD1-OH 3.23Å; I40-R294 VanDerWaalsContact CB-CZ 3.46Å; I40-R294 VanDerWaalsContact CG1-NH1 3.27Å; I40-R294 VanDerWaalsContact CG2-CZ 3.41Å; I40-L355 HydrophobicContact CB-CD2 4.02Å; I40-L355 HydrophobicContact CD1-CD2 4.43Å; I40-L355 HydrophobicContact CG2-CD2 3.62Å |
| 41 | G | 66.7 | Low | 69.8 | Low | 5 Ų | 5 | 17 Ų | 17 | 5% | 0.052 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 39.7 | -176.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | G37 F38 G43 S359 | G37-G41 PolarHBondContact O-N 3.39Å; F38-G41 PolarHBondContact O-N 3.43Å; G41-G43 VanDerWaalsContact C-N 3.31Å; G41-S359 WeakPolarHBondContact CA-OG 3.47Å |
| 42 | L | 74.8 | Confident | 70.7 | Confident | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -35.5 | 170.6 | -71.7 | 168.3 | 0 | 0 | 0 | 111.3 | N44 V45 W46 I121 I352 L355 | L42-N44 VanDerWaalsContact C-N 3.33Å; L42-N44 PolarHBondContact O-N 2.87Å; L42-V45 PolarHBondContact O-N 3.35Å; L42-W46 PolarHBondContact O-N 2.89Å; L42-W46 PolarHBondContact O-NE1 2.95Å; L42-I121 HydrophobicContact CD1-CB 4.02Å; L42-I121 HydrophobicContact CD1-CD1 3.89Å; L42-I121 HydrophobicContact CD1-CG2 3.94Å; L42-I352 HydrophobicContact CD2-CB 4.4Å; L42-I352 HydrophobicContact CD2-CG2 3.69Å; L42-I352 VanDerWaalsContact CD2-O 3.3Å; L42-I352 WeakPolarHBondContact CD2-O 3.46Å; L42-L355 HydrophobicContact CD2-CB 4.11Å; L42-L355 HydrophobicContact CG-CB 4.48Å |
| 43 | G | 69.5 | Low | 71.7 | Confident | 8 Ų | 8 | 17.8 Ų | 17.8 | 8% | 0.082 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -49.6 | -45.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G41 V45 R47 F48 | G41-G43 VanDerWaalsContact C-N 3.31Å; G43-V45 VanDerWaalsContact C-N 3.3Å; G43-V45 PolarHBondContact O-N 2.81Å; G43-R47 WeakPolarHBondContact O-CA 3.44Å; G43-R47 WeakPolarHBondContact O-CB 3.44Å; G43-R47 PolarHBondContact O-N 3.33Å; G43-F48 PolarHBondContact O-N 2.89Å |
| 44 | N | 73.2 | Confident | 72.8 | Confident | 9 Ų | 9 | 20.1 Ų | 20.1 | 5% | 0.048 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -78.1 | -13.1 | -178.6 | -65.3 | -47.8 | 0 | 0 | 0 | 114.5 | S39 I40 L42 P49 Q267 S271 S297 | S39-N44 PolarHBondContact O-ND2 2.94Å; I40-N44 WeakPolarHBondContact O-CB 3.39Å; I40-N44 VanDerWaalsContact O-CG 3.3Å; I40-N44 PolarHBondContact O-N 3.01Å; I40-N44 PolarHBondContact O-ND2 3.34Å; L42-N44 VanDerWaalsContact C-N 3.33Å; L42-N44 PolarHBondContact O-N 2.87Å; N44-P49 WeakPolarHBondContact O-CD 3.41Å; N44-Q267 PolarHBondContact OD1-NE2 2.71Å; N44-S271 WeakPolarHBondContact OD1-CB 3.31Å; N44-S271 PolarHBondContact OD1-OG 3.13Å; N44-S297 PolarHBondContact O-OG 2.93Å |
| 45 | V | 72.2 | Confident | 73.8 | Confident | 11 Ų | 11 | 18.8 Ų | 18.8 | 7% | 0.067 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -93.8 | -16.1 | 179.6 | 177 | 0 | 0 | 0 | 0 | 112.3 | L42 G43 I301 M351 L355 | L42-V45 PolarHBondContact O-N 3.35Å; G43-V45 VanDerWaalsContact C-N 3.3Å; G43-V45 PolarHBondContact O-N 2.81Å; V45-I301 WeakPolarHBondContact O-CD1 3.37Å; V45-M351 HydrophobicContact CG1-CE 4.07Å; V45-L355 HydrophobicContact CB-CD1 4.23Å; V45-L355 HydrophobicContact CG1-CD1 4.5Å; V45-L355 HydrophobicContact CG2-CD1 3.44Å; V45-L355 VanDerWaalsContact CG2-CD1 3.44Å |
| 46 | W | 70.8 | Confident | 74.8 | Confident | 15 Ų | 15 | 19 Ų | 19 | 6% | 0.057 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -132.5 | -17.5 | -179.5 | 67.2 | -7 | 0 | 0 | 0 | 115.3 | L42 I121 P324 L326 F328 F412 | L42-W46 PolarHBondContact O-N 2.89Å; L42-W46 PolarHBondContact O-NE1 2.95Å; W46-I121 HydrophobicContact CE3-CG2 4.29Å; W46-I121 HydrophobicContact CH2-CB 4.21Å; W46-I121 HydrophobicContact CH2-CD1 3.1Å; W46-I121 HydrophobicContact CH2-CG1 3.4Å; W46-I121 HydrophobicContact CH2-CG2 3.75Å; W46-I121 HydrophobicContact CZ2-CD1 3.2Å; W46-I121 HydrophobicContact CZ2-CG1 4.06Å; W46-I121 HydrophobicContact CZ3-CB 4.45Å; W46-I121 HydrophobicContact CZ3-CD1 4.06Å; W46-I121 HydrophobicContact CZ3-CG1 4.08Å; W46-I121 HydrophobicContact CZ3-CG2 3.56Å; W46-P324 HydrophobicContact CH2-CG 3.93Å; W46-P324 HydrophobicContact CZ3-CB 4.23Å; W46-P324 HydrophobicContact CZ3-CG 3.86Å; W46-L326 WeakPolarHBondContact O-CD2 3.27Å; W46-F328 HydrophobicContact CE3-CE2 4.46Å; W46-F328 AromaticContact CZ3-CE2 4Å; W46-F328 HydrophobicContact CZ3-CE2 4Å; W46-F412 AromaticContact CH2-CZ 3.97Å; W46-F412 HydrophobicContact CH2-CZ 3.97Å |
| 47 | R | 78.2 | Confident | 75.9 | Confident | 56 Ų | 56 | 17.2 Ų | 17.2 | 21% | 0.211 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -51.5 | -177.7 | -169.3 | 177.9 | 177.6 | 150.5 | 1.8 | 110.2 | G43 Y50 L51 D416 | G43-R47 WeakPolarHBondContact O-CA 3.44Å; G43-R47 WeakPolarHBondContact O-CB 3.44Å; G43-R47 PolarHBondContact O-N 3.33Å; R47-Y50 WeakPolarHBondContact O-CB 3.12Å; R47-Y50 PolarHBondContact O-N 3.09Å; R47-L51 HydrophobicContact CG-CD1 4.03Å; R47-L51 HydrophobicContact CG-CG 4.24Å; R47-L51 WeakPolarHBondContact O-CG 3.19Å; R47-L51 PolarHBondContact O-N 2.92Å; R47-D416 IonicContact NH1-OD1 2.82Å |
| 48 | F | 80.6 | Confident | 76.9 | Confident | 7 Ų | 7 | 17.6 Ų | 17.6 | 3% | 0.031 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -54 | -47 | -177.1 | 170.3 | -97.3 | 0 | 0 | 0 | 112.8 | G43 Y50 L51 C52 F60 L61 Y64 Q267 | G43-F48 PolarHBondContact O-N 2.89Å; F48-Y50 PolarHBondContact O-N 3.33Å; F48-L51 WeakPolarHBondContact O-CB 3.37Å; F48-L51 PolarHBondContact O-N 3Å; F48-L51 VanDerWaalsContact O-N 3.13Å; F48-C52 VanDerWaalsContact CE1-SG 3.6Å; F48-C52 VanDerWaalsContact CE2-SG 3.58Å; F48-C52 WeakPolarHBondContact CZ-SG 3.27Å; F48-C52 PolarHBondContact O-N 2.87Å; F48-C52 PolarHBondContact O-SG 3.49Å; F48-C52 VanDerWaalsContact O-SG 3.34Å; F48-F60 HydrophobicContact CD2-CE1 4.05Å; F48-F60 HydrophobicContact CE2-CD1 4.4Å; F48-F60 AromaticContact CE2-CE1 3.86Å; F48-F60 HydrophobicContact CE2-CE1 3.86Å; F48-L61 HydrophobicContact CE2-CD2 4.46Å; F48-L61 HydrophobicContact CZ-CD2 3.8Å; F48-Y64 HydrophobicContact CD2-CD2 4.06Å; F48-Y64 AromaticContact CD2-CE2 3.58Å; F48-Y64 HydrophobicContact CD2-CE2 3.58Å; F48-Y64 HydrophobicContact CE2-CD1 4.23Å; F48-Y64 AromaticContact CE2-CD2 3.61Å; F48-Y64 HydrophobicContact CE2-CD2 3.61Å; F48-Y64 HydrophobicContact CE2-CE1 4.06Å; F48-Y64 AromaticContact CE2-CE2 3.37Å; F48-Y64 HydrophobicContact CE2-CE2 3.37Å; F48-Y64 HydrophobicContact CE2-CG 4.03Å; F48-Y64 AromaticContact CE2-CZ 3.63Å; F48-Q267 HydrophobicContact CB-CG 4.37Å; F48-Q267 HydrophobicContact CD2-CG 4.11Å |
| 49 | P | 76.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -71.6 | -34.3 | -177.8 | -33.7 | 50 | 0 | 0 | 0 | 113.5 | N44 L51 C52 Y53 I301 F302 | N44-P49 WeakPolarHBondContact O-CD 3.41Å; P49-L51 VanDerWaalsContact C-N 3.32Å; P49-L51 PolarHBondContact O-N 2.83Å; P49-C52 PolarHBondContact O-N 3.46Å; P49-Y53 WeakPolarHBondContact O-CB 3.36Å; P49-Y53 PolarHBondContact O-N 3.31Å; P49-I301 HydrophobicContact CB-CB 3.64Å; P49-I301 HydrophobicContact CB-CD1 3.76Å; P49-I301 HydrophobicContact CB-CG1 3.83Å; P49-I301 HydrophobicContact CB-CG2 3.63Å; P49-I301 HydrophobicContact CG-CB 3.99Å; P49-I301 HydrophobicContact CG-CD1 3.33Å; P49-I301 HydrophobicContact CG-CG1 3.57Å; P49-I301 HydrophobicContact CG-CG2 4.36Å; P49-F302 HydrophobicContact CB-CD2 4Å; P49-F302 HydrophobicContact CB-CE2 3.56Å; P49-F302 HydrophobicContact CB-CZ 4.46Å; P49-F302 VanDerWaalsContact O-CE2 3.3Å; P49-F302 WeakPolarHBondContact O-CE2 3.23Å; P49-F302 WeakPolarHBondContact O-CZ 3.41Å |
| 50 | Y | 78.9 | Confident | 79 | Confident | 54 Ų | 54 | 16.1 Ų | 16.1 | 21% | 0.212 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.6 | -44.4 | 168.3 | 171.4 | -95.9 | 0 | 0 | 0 | 111.5 | R47 F48 Y53 K54 E321 S322 | R47-Y50 WeakPolarHBondContact O-CB 3.12Å; R47-Y50 PolarHBondContact O-N 3.09Å; F48-Y50 PolarHBondContact O-N 3.33Å; Y50-Y53 WeakPolarHBondContact O-CB 3.37Å; Y50-Y53 PolarHBondContact O-N 3.37Å; Y50-K54 HydrophobicContact CE1-CB 4.25Å; Y50-K54 HydrophobicContact CE1-CD 3.84Å; Y50-K54 WeakPolarHBondContact O-CB 3.3Å; Y50-K54 PolarHBondContact O-N 2.89Å; Y50-E321 VanDerWaalsContact CD2-C 3.48Å; Y50-E321 WeakPolarHBondContact CD2-O 3.17Å; Y50-S322 VanDerWaalsContact CD1-CB 3.42Å; Y50-S322 VanDerWaalsContact CZ-CB 3.5Å |
| 51 | L | 83.7 | Confident | 80 | Confident | 10 Ų | 10 | 17.2 Ų | 17.2 | 5% | 0.052 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 178 | -68.5 | 179 | 0 | 0 | 0 | 111.9 | R47 F48 P49 Y53 K54 N55 F60 D263 Q267 | R47-L51 HydrophobicContact CG-CD1 4.03Å; R47-L51 HydrophobicContact CG-CG 4.24Å; R47-L51 WeakPolarHBondContact O-CG 3.19Å; R47-L51 PolarHBondContact O-N 2.92Å; F48-L51 WeakPolarHBondContact O-CB 3.37Å; F48-L51 PolarHBondContact O-N 3Å; F48-L51 VanDerWaalsContact O-N 3.13Å; P49-L51 VanDerWaalsContact C-N 3.32Å; P49-L51 PolarHBondContact O-N 2.83Å; L51-Y53 PolarHBondContact O-N 2.8Å; L51-K54 PolarHBondContact O-N 2.99Å; L51-N55 WeakPolarHBondContact O-CB 3.42Å; L51-N55 PolarHBondContact O-N 2.68Å; L51-N55 PolarHBondContact O-ND2 2.81Å; L51-N55 VanDerWaalsContact O-ND2 3.13Å; L51-F60 HydrophobicContact CB-CE1 4.18Å; L51-F60 HydrophobicContact CB-CE2 4.06Å; L51-F60 HydrophobicContact CB-CZ 3.66Å; L51-F60 HydrophobicContact CD1-CZ 4.27Å; L51-D263 HydrophobicContact CD2-CB 4.08Å; L51-Q267 HydrophobicContact CD1-CB 3.85Å; L51-Q267 HydrophobicContact CD1-CG 4Å |
| 52 | C | 82.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -55 | -45.4 | 172.6 | -69.2 | 0 | 0 | 0 | 0 | 110.7 | F48 P49 N55 G56 G57 F60 Y247 F302 | F48-C52 VanDerWaalsContact CE1-SG 3.6Å; F48-C52 VanDerWaalsContact CE2-SG 3.58Å; F48-C52 WeakPolarHBondContact CZ-SG 3.27Å; F48-C52 PolarHBondContact O-N 2.87Å; F48-C52 PolarHBondContact O-SG 3.49Å; F48-C52 VanDerWaalsContact O-SG 3.34Å; P49-C52 PolarHBondContact O-N 3.46Å; C52-N55 PolarHBondContact O-N 3.49Å; C52-G56 PolarHBondContact O-N 2.93Å; C52-G57 WeakPolarHBondContact O-CA 3.17Å; C52-G57 PolarHBondContact O-N 2.94Å; C52-F60 HydrophobicContact CB-CD1 4.18Å; C52-F60 WeakPolarHBondContact SG-CD1 3.32Å; C52-Y247 HydrophobicContact CB-CD2 4.19Å; C52-Y247 HydrophobicContact CB-CE2 3.88Å; C52-F302 HydrophobicContact CB-CE2 3.84Å; C52-F302 HydrophobicContact CB-CZ 3.62Å |
| 53 | Y | 81.5 | Confident | 82 | Confident | 52 Ų | 52 | 19.8 Ų | 19.8 | 20% | 0.204 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.3 | -54.2 | -178.7 | 179.1 | -96.1 | 0 | 0 | 0 | 111.6 | P49 Y50 L51 N55 G56 F302 L316 N317 A320 | P49-Y53 WeakPolarHBondContact O-CB 3.36Å; P49-Y53 PolarHBondContact O-N 3.31Å; Y50-Y53 WeakPolarHBondContact O-CB 3.37Å; Y50-Y53 PolarHBondContact O-N 3.37Å; L51-Y53 PolarHBondContact O-N 2.8Å; Y53-N55 PolarHBondContact O-N 2.87Å; Y53-G56 PolarHBondContact O-N 3.2Å; Y53-F302 AromaticContact CD2-CE1 3.98Å; Y53-F302 HydrophobicContact CD2-CE1 3.98Å; Y53-F302 HydrophobicContact CG-CE1 4.37Å; Y53-L316 HydrophobicContact CE2-CB 3.71Å; Y53-L316 VanDerWaalsContact OH-C 3.3Å; Y53-N317 HydrophobicContact CE1-CB 4.28Å; Y53-N317 WeakPolarHBondContact OH-CA 3.29Å; Y53-N317 WeakPolarHBondContact OH-CB 3.46Å; Y53-N317 PolarHBondContact OH-N 3.03Å; Y53-A320 HydrophobicContact CD1-CB 3.32Å; Y53-A320 HydrophobicContact CE1-CB 3.51Å; Y53-A320 HydrophobicContact CG-CB 4.05Å |
| 54 | K | 84.5 | Confident | 82.8 | Confident | 82 Ų | 82 | 20.6 Ų | 20.6 | 36% | 0.357 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -55.6 | -36.6 | 179.6 | -179.6 | -168.8 | 168.5 | -156.5 | 0 | 112 | Y50 L51 D263 | Y50-K54 HydrophobicContact CE1-CB 4.25Å; Y50-K54 HydrophobicContact CE1-CD 3.84Å; Y50-K54 WeakPolarHBondContact O-CB 3.3Å; Y50-K54 PolarHBondContact O-N 2.89Å; L51-K54 PolarHBondContact O-N 2.99Å; K54-D263 IonicContact NZ-OD2 3.42Å; K54-D263 PolarHBondContact NZ-OD2 3.07Å |
| 55 | N | 88.5 | Confident | 83.3 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.011 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 25.5 | -168.9 | -64.1 | -37.7 | 0 | 0 | 0 | 114.2 | L51 C52 Y53 F60 V260 D263 | L51-N55 WeakPolarHBondContact O-CB 3.42Å; L51-N55 PolarHBondContact O-N 2.68Å; L51-N55 PolarHBondContact O-ND2 2.81Å; L51-N55 VanDerWaalsContact O-ND2 3.13Å; C52-N55 PolarHBondContact O-N 3.49Å; Y53-N55 PolarHBondContact O-N 2.87Å; N55-F60 HydrophobicContact CB-CB 4Å; N55-F60 HydrophobicContact CB-CD2 3.39Å; N55-F60 HydrophobicContact CB-CE2 4.16Å; N55-F60 HydrophobicContact CB-CG 4.03Å; N55-F60 WeakPolarHBondContact ND2-CE2 3.45Å; N55-V260 HydrophobicContact CB-CB 4.26Å; N55-V260 HydrophobicContact CB-CG1 4.01Å; N55-V260 HydrophobicContact CB-CG2 3.78Å; N55-D263 WeakPolarHBondContact ND2-CB 3.32Å; N55-D263 PolarHBondContact ND2-OD2 3.49Å; N55-D263 VanDerWaalsContact ND2-OD2 3.1Å |
| 56 | G | 85.9 | Confident | 84.2 | Confident | 10 Ų | 10 | 26 Ų | 26 | 10% | 0.103 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | 27 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | C52 Y53 G58 A59 D251 | C52-G56 PolarHBondContact O-N 2.93Å; Y53-G56 PolarHBondContact O-N 3.2Å; G56-G58 PolarHBondContact O-N 2.9Å; G56-A59 WeakPolarHBondContact O-CB 3.39Å; G56-A59 PolarHBondContact O-N 3.09Å; G56-D251 PolarHBondContact O-N 2.82Å |
| 57 | G | 84.1 | Confident | 85.1 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | 61.1 | -118.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | C52 A59 F60 Y247 | C52-G57 WeakPolarHBondContact O-CA 3.17Å; C52-G57 PolarHBondContact O-N 2.94Å; G57-A59 PolarHBondContact O-N 3.48Å; G57-A59 VanDerWaalsContact O-N 3.15Å; G57-F60 WeakPolarHBondContact O-CB 3.49Å; G57-F60 PolarHBondContact O-N 3.02Å; G57-F60 VanDerWaalsContact O-N 3.16Å; G57-Y247 CarbonylContact C-O 3.39Å; G57-Y247 VanDerWaalsContact CA-O 3.29Å; G57-Y247 WeakPolarHBondContact CA-O 3.19Å |
| 58 | G | 82.9 | Confident | 85.4 | Confident | 10 Ų | 10 | 23.1 Ų | 23.1 | 10% | 0.103 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.8 | -23.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G56 F60 L61 Y247 K249 | G56-G58 PolarHBondContact O-N 2.9Å; G58-F60 VanDerWaalsContact C-N 3.32Å; G58-F60 PolarHBondContact O-N 2.96Å; G58-L61 WeakPolarHBondContact O-CB 3.36Å; G58-L61 PolarHBondContact O-N 3.3Å; G58-Y247 PolarHBondContact N-O 3.05Å; G58-K249 PolarHBondContact N-O 2.94Å |
| 59 | A | 90.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -37.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G56 G57 L61 I62 P63 P250 D251 L255 | G56-A59 WeakPolarHBondContact O-CB 3.39Å; G56-A59 PolarHBondContact O-N 3.09Å; G57-A59 PolarHBondContact O-N 3.48Å; G57-A59 VanDerWaalsContact O-N 3.15Å; A59-L61 PolarHBondContact O-N 3.32Å; A59-I62 PolarHBondContact O-N 2.85Å; A59-P63 WeakPolarHBondContact O-CD 3.43Å; A59-P250 HydrophobicContact CB-CB 4.04Å; A59-D251 VanDerWaalsContact CB-O 3.28Å; A59-D251 WeakPolarHBondContact CB-O 3.35Å; A59-L255 HydrophobicContact CB-CD2 4.26Å; A59-L255 HydrophobicContact CB-CG 4.27Å; A59-L255 WeakPolarHBondContact O-CD2 3.46Å |
| 60 | F | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.2 | -26.9 | 176.9 | 178.4 | -97.4 | 0 | 0 | 0 | 113.1 | F48 L51 C52 N55 G57 G58 I62 P63 Y64 V260 D263 A264 | F48-F60 HydrophobicContact CD2-CE1 4.05Å; F48-F60 HydrophobicContact CE2-CD1 4.4Å; F48-F60 AromaticContact CE2-CE1 3.86Å; F48-F60 HydrophobicContact CE2-CE1 3.86Å; L51-F60 HydrophobicContact CB-CE1 4.18Å; L51-F60 HydrophobicContact CB-CE2 4.06Å; L51-F60 HydrophobicContact CB-CZ 3.66Å; L51-F60 HydrophobicContact CD1-CZ 4.27Å; C52-F60 HydrophobicContact CB-CD1 4.18Å; C52-F60 WeakPolarHBondContact SG-CD1 3.32Å; N55-F60 HydrophobicContact CB-CB 4Å; N55-F60 HydrophobicContact CB-CD2 3.39Å; N55-F60 HydrophobicContact CB-CE2 4.16Å; N55-F60 HydrophobicContact CB-CG 4.03Å; N55-F60 WeakPolarHBondContact ND2-CE2 3.45Å; G57-F60 WeakPolarHBondContact O-CB 3.49Å; G57-F60 PolarHBondContact O-N 3.02Å; G57-F60 VanDerWaalsContact O-N 3.16Å; G58-F60 VanDerWaalsContact C-N 3.32Å; G58-F60 PolarHBondContact O-N 2.96Å; F60-I62 PolarHBondContact O-N 2.82Å; F60-P63 VanDerWaalsContact O-CD 3.24Å; F60-P63 WeakPolarHBondContact O-CD 3.07Å; F60-P63 WeakPolarHBondContact O-CG 3.14Å; F60-Y64 HydrophobicContact CE1-CD2 4.05Å; F60-Y64 HydrophobicContact CE1-CG 4.48Å; F60-Y64 VanDerWaalsContact O-CB 3.25Å; F60-Y64 WeakPolarHBondContact O-CB 3.34Å; F60-Y64 PolarHBondContact O-N 3.36Å; F60-Y64 VanDerWaalsContact O-N 3.14Å; F60-V260 HydrophobicContact CD2-CG1 4.28Å; F60-D263 HydrophobicContact CE2-CB 4.09Å; F60-A264 HydrophobicContact CD2-CB 4.02Å; F60-A264 VanDerWaalsContact CE2-CA 3.46Å; F60-A264 HydrophobicContact CE2-CB 3.52Å; F60-A264 VanDerWaalsContact CZ-CA 3.49Å; F60-A264 HydrophobicContact CZ-CB 3.83Å |
| 61 | L | 86.5 | Confident | 86.8 | Confident | 23 Ų | 23 | 29 Ų | 29 | 12% | 0.12 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.7 | -27.4 | 179.7 | -59.3 | 179.6 | 0 | 0 | 0 | 112.2 | F48 G58 A59 F65 L248 | F48-L61 HydrophobicContact CE2-CD2 4.46Å; F48-L61 HydrophobicContact CZ-CD2 3.8Å; G58-L61 WeakPolarHBondContact O-CB 3.36Å; G58-L61 PolarHBondContact O-N 3.3Å; A59-L61 PolarHBondContact O-N 3.32Å; L61-F65 HydrophobicContact CB-CD2 4.17Å; L61-F65 HydrophobicContact CB-CE2 3.84Å; L61-F65 WeakPolarHBondContact O-CB 3.25Å; L61-F65 WeakPolarHBondContact O-CD2 3.21Å; L61-F65 WeakPolarHBondContact O-CG 3.3Å; L61-F65 PolarHBondContact O-N 3.05Å; L61-L248 HydrophobicContact CD1-CD2 4.47Å |
| 62 | I | 90 | Very high | 86.8 | Confident | 64 Ų | 64 | 28.5 Ų | 28.5 | 33% | 0.328 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -65 | -60.8 | 178.6 | -63.7 | 169.2 | 0 | 0 | 0 | 111.7 | A59 F60 Y64 F65 I66 W252 L255 | A59-I62 PolarHBondContact O-N 2.85Å; F60-I62 PolarHBondContact O-N 2.82Å; I62-Y64 PolarHBondContact O-N 3.42Å; I62-F65 PolarHBondContact O-N 3.13Å; I62-I66 HydrophobicContact CG2-CD1 3.88Å; I62-I66 WeakPolarHBondContact O-CG1 3.33Å; I62-I66 PolarHBondContact O-N 3.08Å; I62-W252 HydrophobicContact CD1-CE3 4.46Å; I62-W252 HydrophobicContact CD1-CH2 4.09Å; I62-W252 HydrophobicContact CD1-CZ3 3.47Å; I62-W252 VanDerWaalsContact CD1-CZ3 3.47Å; I62-L255 HydrophobicContact CD1-CD1 4.14Å |
| 63 | P | 92.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.9 | -30 | 176.4 | 25.8 | -33.8 | 0 | 0 | 0 | 111.8 | A59 F60 S67 L255 V260 W261 A264 | A59-P63 WeakPolarHBondContact O-CD 3.43Å; F60-P63 VanDerWaalsContact O-CD 3.24Å; F60-P63 WeakPolarHBondContact O-CD 3.07Å; F60-P63 WeakPolarHBondContact O-CG 3.14Å; P63-S67 VanDerWaalsContact O-CB 3.28Å; P63-S67 WeakPolarHBondContact O-CB 3.44Å; P63-S67 PolarHBondContact O-N 3.14Å; P63-S67 PolarHBondContact O-OG 3.03Å; P63-L255 HydrophobicContact CG-CD2 4.46Å; P63-V260 HydrophobicContact CG-CG1 3.99Å; P63-W261 HydrophobicContact CB-CD2 3.71Å; P63-W261 HydrophobicContact CB-CE3 3.45Å; P63-W261 VanDerWaalsContact CB-CE3 3.45Å; P63-W261 HydrophobicContact CB-CG 4.32Å; P63-W261 HydrophobicContact CB-CH2 4.19Å; P63-W261 HydrophobicContact CB-CZ2 4.41Å; P63-W261 HydrophobicContact CB-CZ3 3.71Å; P63-A264 HydrophobicContact CB-CB 3.87Å; P63-A264 HydrophobicContact CG-CB 3.92Å |
| 64 | Y | 86.7 | Confident | 87.1 | Confident | 24 Ų | 24 | 29.6 Ų | 29.6 | 9% | 0.094 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.7 | -52 | 173.4 | -179 | -90.3 | 0 | 0 | 0 | 111.8 | F48 F60 I62 S67 V68 Q267 I268 | F48-Y64 HydrophobicContact CD2-CD2 4.06Å; F48-Y64 AromaticContact CD2-CE2 3.58Å; F48-Y64 HydrophobicContact CD2-CE2 3.58Å; F48-Y64 HydrophobicContact CE2-CD1 4.23Å; F48-Y64 AromaticContact CE2-CD2 3.61Å; F48-Y64 HydrophobicContact CE2-CD2 3.61Å; F48-Y64 HydrophobicContact CE2-CE1 4.06Å; F48-Y64 AromaticContact CE2-CE2 3.37Å; F48-Y64 HydrophobicContact CE2-CE2 3.37Å; F48-Y64 HydrophobicContact CE2-CG 4.03Å; F48-Y64 AromaticContact CE2-CZ 3.63Å; F60-Y64 HydrophobicContact CE1-CD2 4.05Å; F60-Y64 HydrophobicContact CE1-CG 4.48Å; F60-Y64 VanDerWaalsContact O-CB 3.25Å; F60-Y64 WeakPolarHBondContact O-CB 3.34Å; F60-Y64 PolarHBondContact O-N 3.36Å; F60-Y64 VanDerWaalsContact O-N 3.14Å; I62-Y64 PolarHBondContact O-N 3.42Å; Y64-S67 WeakPolarHBondContact O-CB 3.45Å; Y64-S67 PolarHBondContact O-N 3.21Å; Y64-S67 VanDerWaalsContact O-N 3.17Å; Y64-V68 HydrophobicContact CD1-CG2 4.38Å; Y64-V68 HydrophobicContact CE1-CG2 4.16Å; Y64-V68 WeakPolarHBondContact O-CG2 3.22Å; Y64-V68 PolarHBondContact O-N 3.48Å; Y64-Q267 HydrophobicContact CE2-CG 4.07Å; Y64-I268 HydrophobicContact CD1-CD1 4.09Å; Y64-I268 HydrophobicContact CD2-CD1 3.56Å; Y64-I268 HydrophobicContact CD2-CG1 4.08Å; Y64-I268 HydrophobicContact CE1-CD1 3.75Å; Y64-I268 HydrophobicContact CE2-CD1 3.19Å; Y64-I268 HydrophobicContact CE2-CG1 4.09Å; Y64-I268 HydrophobicContact CG-CD1 4Å |
| 65 | F | 84 | Confident | 87.5 | Confident | 73 Ų | 73 | 25.7 Ų | 25.7 | 32% | 0.32 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -67.5 | -36.4 | 177.9 | -70.6 | -53.6 | 0 | 0 | 0 | 112.9 | L61 I62 S67 V68 F69 L295 | L61-F65 HydrophobicContact CB-CD2 4.17Å; L61-F65 HydrophobicContact CB-CE2 3.84Å; L61-F65 WeakPolarHBondContact O-CB 3.25Å; L61-F65 WeakPolarHBondContact O-CD2 3.21Å; L61-F65 WeakPolarHBondContact O-CG 3.3Å; L61-F65 PolarHBondContact O-N 3.05Å; I62-F65 PolarHBondContact O-N 3.13Å; F65-S67 VanDerWaalsContact C-N 3.26Å; F65-S67 PolarHBondContact O-N 2.96Å; F65-V68 WeakPolarHBondContact O-CB 3.16Å; F65-V68 PolarHBondContact O-N 3.02Å; F65-F69 WeakPolarHBondContact O-CD2 3.42Å; F65-F69 PolarHBondContact O-N 2.95Å; F65-L295 HydrophobicContact CE1-CD1 3.76Å; F65-L295 HydrophobicContact CE1-CG 4.39Å; F65-L295 HydrophobicContact CZ-CD1 3.6Å; F65-L295 HydrophobicContact CZ-CD2 4.04Å; F65-L295 HydrophobicContact CZ-CG 4.21Å |
| 66 | I | 89.8 | Confident | 87.3 | Confident | 60 Ų | 60 | 27.8 Ų | 27.8 | 31% | 0.308 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -57.9 | -45.2 | 171.5 | -69.9 | 169.2 | 0 | 0 | 0 | 109.7 | I62 V68 F69 L70 W261 F471 | I62-I66 HydrophobicContact CG2-CD1 3.88Å; I62-I66 WeakPolarHBondContact O-CG1 3.33Å; I62-I66 PolarHBondContact O-N 3.08Å; I66-V68 VanDerWaalsContact C-N 3.32Å; I66-V68 PolarHBondContact O-N 3.2Å; I66-F69 PolarHBondContact O-N 3.44Å; I66-L70 HydrophobicContact CG2-CD1 3.51Å; I66-L70 HydrophobicContact CG2-CG 4.07Å; I66-L70 WeakPolarHBondContact O-CB 3.37Å; I66-L70 WeakPolarHBondContact O-CG 3.25Å; I66-L70 PolarHBondContact O-N 3.03Å; I66-W261 HydrophobicContact CD1-CH2 3.81Å; I66-W261 HydrophobicContact CD1-CZ3 3.98Å; I66-W261 HydrophobicContact CG2-CZ3 4.43Å; I66-F471 HydrophobicContact CG2-CE2 4.39Å |
| 67 | S | 91.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -35.8 | 177.3 | -58.3 | 0 | 0 | 0 | 0 | 112.8 | P63 Y64 F65 F69 A71 G72 G265 F471 | P63-S67 VanDerWaalsContact O-CB 3.28Å; P63-S67 WeakPolarHBondContact O-CB 3.44Å; P63-S67 PolarHBondContact O-N 3.14Å; P63-S67 PolarHBondContact O-OG 3.03Å; Y64-S67 WeakPolarHBondContact O-CB 3.45Å; Y64-S67 PolarHBondContact O-N 3.21Å; Y64-S67 VanDerWaalsContact O-N 3.17Å; F65-S67 VanDerWaalsContact C-N 3.26Å; F65-S67 PolarHBondContact O-N 2.96Å; S67-F69 PolarHBondContact O-N 3.02Å; S67-A71 PolarHBondContact O-N 3.17Å; S67-G72 PolarHBondContact O-N 2.89Å; S67-G265 WeakPolarHBondContact OG-CA 3.48Å; S67-F471 VanDerWaalsContact OG-CZ 3.26Å; S67-F471 WeakPolarHBondContact OG-CZ 3.16Å |
| 68 | V | 82.5 | Confident | 87.6 | Confident | 11 Ų | 11 | 28.9 Ų | 28.9 | 7% | 0.067 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -57.1 | -48.6 | 172.4 | 171.5 | 0 | 0 | 0 | 0 | 111 | Y64 F65 I66 G72 I73 I268 Y272 | Y64-V68 HydrophobicContact CD1-CG2 4.38Å; Y64-V68 HydrophobicContact CE1-CG2 4.16Å; Y64-V68 WeakPolarHBondContact O-CG2 3.22Å; Y64-V68 PolarHBondContact O-N 3.48Å; F65-V68 WeakPolarHBondContact O-CB 3.16Å; F65-V68 PolarHBondContact O-N 3.02Å; I66-V68 VanDerWaalsContact C-N 3.32Å; I66-V68 PolarHBondContact O-N 3.2Å; V68-G72 CarbonylContact O-C 3.09Å; V68-G72 WeakPolarHBondContact O-CA 3.37Å; V68-G72 PolarHBondContact O-N 3.35Å; V68-I73 HydrophobicContact CG1-CD1 3.73Å; V68-I73 HydrophobicContact CG1-CG1 3.88Å; V68-I73 PolarHBondContact O-N 3.09Å; V68-I268 HydrophobicContact CG2-CD1 3.39Å; V68-I268 HydrophobicContact CG2-CG1 4.19Å; V68-Y272 HydrophobicContact CG1-CE2 4.5Å; V68-Y272 WeakPolarHBondContact CG1-OH 3.45Å; V68-Y272 HydrophobicContact CG2-CE2 4.23Å |
| 69 | F | 83.6 | Confident | 88 | Confident | 131 Ų | 131 | 28.5 Ų | 28.5 | 58% | 0.575 | 14% | 0.137 | S | C | * | . | I | π-helix | trans | -77.8 | -33.1 | -176.1 | -70.3 | -69.8 | 0 | 0 | 0 | 113.4 | F65 I66 S67 I73 P74 | F65-F69 WeakPolarHBondContact O-CD2 3.42Å; F65-F69 PolarHBondContact O-N 2.95Å; I66-F69 PolarHBondContact O-N 3.44Å; S67-F69 PolarHBondContact O-N 3.02Å; F69-I73 HydrophobicContact CD1-CD1 4.12Å; F69-I73 HydrophobicContact CE1-CD1 4.21Å; F69-P74 WeakPolarHBondContact O-CD 3.23Å; F69-P74 WeakPolarHBondContact O-CG 3.11Å |
| 70 | L | 91.6 | Very high | 87.7 | Confident | 53 Ų | 53 | 28.9 Ų | 28.9 | 28% | 0.277 | 14% | 0.139 | S | C | . | . | I | π-helix | trans | -86.8 | -28.9 | -176.1 | -62.9 | -174.8 | 0 | 0 | 0 | 113.7 | I66 T468 F471 | I66-L70 HydrophobicContact CG2-CD1 3.51Å; I66-L70 HydrophobicContact CG2-CG 4.07Å; I66-L70 WeakPolarHBondContact O-CB 3.37Å; I66-L70 WeakPolarHBondContact O-CG 3.25Å; I66-L70 PolarHBondContact O-N 3.03Å; L70-T468 VanDerWaalsContact O-CA 3.27Å; L70-T468 WeakPolarHBondContact O-CA 3.32Å; L70-T468 WeakPolarHBondContact O-CB 3.48Å; L70-T468 PolarHBondContact O-OG1 2.96Å; L70-F471 HydrophobicContact CB-CB 4.18Å; L70-F471 HydrophobicContact CB-CD1 3.89Å; L70-F471 HydrophobicContact CB-CD2 4.18Å; L70-F471 HydrophobicContact CB-CE1 4.29Å; L70-F471 HydrophobicContact CB-CG 3.81Å; L70-F471 HydrophobicContact CD1-CD2 3.56Å; L70-F471 HydrophobicContact CD1-CE2 3.86Å; L70-F471 HydrophobicContact CD1-CG 4.05Å |
| 71 | A | 90.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -131.4 | -46 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S67 L75 F269 T468 F471 | S67-A71 PolarHBondContact O-N 3.17Å; A71-L75 HydrophobicContact CB-CD1 4.22Å; A71-L75 VanDerWaalsContact O-CB 3.27Å; A71-L75 WeakPolarHBondContact O-CB 3.22Å; A71-L75 WeakPolarHBondContact O-CG 3.46Å; A71-L75 PolarHBondContact O-N 2.99Å; A71-F269 HydrophobicContact CB-CE2 3.91Å; A71-F269 HydrophobicContact CB-CZ 4.22Å; A71-T468 HydrophobicContact CB-CG2 4.49Å; A71-F471 HydrophobicContact CB-CD1 3.84Å; A71-F471 HydrophobicContact CB-CE1 4.24Å |
| 72 | G | 83.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -53.6 | -67.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | S67 V68 F76 | S67-G72 PolarHBondContact O-N 2.89Å; V68-G72 CarbonylContact O-C 3.09Å; V68-G72 WeakPolarHBondContact O-CA 3.37Å; V68-G72 PolarHBondContact O-N 3.35Å; G72-F76 VanDerWaalsContact O-CB 3.24Å; G72-F76 WeakPolarHBondContact O-CB 3.15Å; G72-F76 PolarHBondContact O-N 2.88Å |
| 73 | I | 81.4 | Confident | 87.8 | Confident | 72 Ų | 72 | 25.1 Ų | 25.1 | 37% | 0.369 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -62 | -48 | 179.7 | -66 | 168.6 | 0 | 0 | 0 | 111.4 | V68 F69 L75 L77 Y272 | V68-I73 HydrophobicContact CG1-CD1 3.73Å; V68-I73 HydrophobicContact CG1-CG1 3.88Å; V68-I73 PolarHBondContact O-N 3.09Å; F69-I73 HydrophobicContact CD1-CD1 4.12Å; F69-I73 HydrophobicContact CE1-CD1 4.21Å; I73-L75 PolarHBondContact O-N 3.09Å; I73-L77 WeakPolarHBondContact O-CB 3.2Å; I73-L77 PolarHBondContact O-N 2.62Å; I73-Y272 HydrophobicContact CG1-CE1 4.26Å |
| 74 | P | 89.3 | Confident | 87.4 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.013 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.3 | -46.7 | 178.3 | -31.6 | 38.7 | 0 | 0 | 0 | 115 | F69 L78 F463 W464 T468 | F69-P74 WeakPolarHBondContact O-CD 3.23Å; F69-P74 WeakPolarHBondContact O-CG 3.11Å; P74-L78 WeakPolarHBondContact O-CB 3.34Å; P74-L78 PolarHBondContact O-N 3.35Å; P74-F463 HydrophobicContact CB-CB 4.07Å; P74-F463 HydrophobicContact CB-CD1 4.44Å; P74-F463 HydrophobicContact CB-CG 4.21Å; P74-F463 HydrophobicContact CG-CB 4.26Å; P74-F463 HydrophobicContact CG-CD1 3.7Å; P74-F463 HydrophobicContact CG-CD2 4.44Å; P74-F463 HydrophobicContact CG-CE1 4.13Å; P74-F463 HydrophobicContact CG-CG 3.9Å; P74-W464 PolarHBondContact O-NE1 3.26Å; P74-T468 WeakPolarHBondContact CB-OG1 3.46Å |
| 75 | L | 92.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -74.1 | -40.7 | -177.7 | -69.8 | 172.4 | 0 | 0 | 0 | 111.6 | A71 I73 L77 L78 E79 F269 I274 E431 T468 | A71-L75 HydrophobicContact CB-CD1 4.22Å; A71-L75 VanDerWaalsContact O-CB 3.27Å; A71-L75 WeakPolarHBondContact O-CB 3.22Å; A71-L75 WeakPolarHBondContact O-CG 3.46Å; A71-L75 PolarHBondContact O-N 2.99Å; I73-L75 PolarHBondContact O-N 3.09Å; L75-L77 VanDerWaalsContact C-N 3.3Å; L75-L77 PolarHBondContact O-N 3.21Å; L75-L78 HydrophobicContact CD2-CD2 4.28Å; L75-L78 WeakPolarHBondContact O-CB 3.35Å; L75-L78 PolarHBondContact O-N 3.21Å; L75-L78 VanDerWaalsContact O-N 3.1Å; L75-E79 PolarHBondContact O-N 2.98Å; L75-F269 HydrophobicContact CD1-CE1 3.69Å; L75-F269 HydrophobicContact CD1-CZ 3.66Å; L75-I274 HydrophobicContact CB-CD1 3.86Å; L75-I274 HydrophobicContact CB-CG1 4.03Å; L75-I274 HydrophobicContact CB-CG2 3.77Å; L75-I274 HydrophobicContact CD1-CD1 4.4Å; L75-I274 HydrophobicContact CD1-CG2 3.71Å; L75-I274 HydrophobicContact CG-CG2 4.29Å; L75-E431 HydrophobicContact CD2-CB 4.45Å; L75-T468 HydrophobicContact CD1-CG2 3.89Å; L75-T468 HydrophobicContact CD2-CG2 3.62Å; L75-T468 HydrophobicContact CG-CG2 3.55Å |
| 76 | F | 84.4 | Confident | 87.7 | Confident | 47 Ų | 47 | 22 Ų | 22 | 21% | 0.206 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -54.9 | -49 | 173.6 | 178.4 | -81.4 | 0 | 0 | 0 | 111.3 | C35 G72 L78 E79 V80 Y272 L279 | C35-F76 HydrophobicContact CB-CE2 4.47Å; C35-F76 HydrophobicContact CB-CZ 4.26Å; G72-F76 VanDerWaalsContact O-CB 3.24Å; G72-F76 WeakPolarHBondContact O-CB 3.15Å; G72-F76 PolarHBondContact O-N 2.88Å; F76-L78 VanDerWaalsContact C-N 3.3Å; F76-L78 PolarHBondContact O-N 2.94Å; F76-E79 PolarHBondContact O-N 3.25Å; F76-V80 HydrophobicContact CD1-CG2 4.26Å; F76-V80 HydrophobicContact CE1-CG2 3.9Å; F76-V80 HydrophobicContact CZ-CG2 4.11Å; F76-V80 VanDerWaalsContact O-CG2 3.31Å; F76-V80 WeakPolarHBondContact O-CG2 3.42Å; F76-V80 PolarHBondContact O-N 3.43Å; F76-V80 VanDerWaalsContact O-N 3.11Å; F76-Y272 HydrophobicContact CB-CD1 3.93Å; F76-Y272 HydrophobicContact CD2-CD1 4.03Å; F76-Y272 HydrophobicContact CG-CD1 4.18Å; F76-L279 HydrophobicContact CB-CD1 4.32Å; F76-L279 HydrophobicContact CD2-CD1 3.46Å; F76-L279 VanDerWaalsContact CD2-CD1 3.46Å; F76-L279 HydrophobicContact CD2-CD2 3.82Å; F76-L279 HydrophobicContact CD2-CG 4.29Å; F76-L279 HydrophobicContact CE2-CD1 4.02Å; F76-L279 HydrophobicContact CE2-CD2 3.44Å; F76-L279 VanDerWaalsContact CE2-CD2 3.44Å; F76-L279 HydrophobicContact CE2-CG 4.37Å; F76-L279 HydrophobicContact CG-CD1 4.11Å; F76-L279 HydrophobicContact CZ-CD2 4.26Å |
| 77 | L | 84.4 | Confident | 87.6 | Confident | 35 Ų | 35 | 22.1 Ų | 22.1 | 18% | 0.183 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64 | -38.5 | 178.9 | -176.2 | 56.3 | 0 | 0 | 0 | 111.5 | I73 L75 T81 M448 Y452 L456 W464 | I73-L77 WeakPolarHBondContact O-CB 3.2Å; I73-L77 PolarHBondContact O-N 2.62Å; L75-L77 VanDerWaalsContact C-N 3.3Å; L75-L77 PolarHBondContact O-N 3.21Å; L77-T81 WeakPolarHBondContact O-CB 3.37Å; L77-T81 PolarHBondContact O-N 2.75Å; L77-T81 PolarHBondContact O-OG1 3.05Å; L77-M448 HydrophobicContact CD1-CE 3.94Å; L77-M448 HydrophobicContact CD2-CE 3.71Å; L77-M448 HydrophobicContact CG-CE 3.89Å; L77-Y452 HydrophobicContact CD1-CE2 4.38Å; L77-L456 HydrophobicContact CD2-CD1 3.8Å; L77-W464 HydrophobicContact CG-CZ2 4.43Å |
| 78 | L | 91.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.2 | -52.6 | 177.3 | -170.1 | 61.1 | 0 | 0 | 0 | 111.8 | P74 L75 F76 V80 T81 V82 E431 I435 I444 W464 | P74-L78 WeakPolarHBondContact O-CB 3.34Å; P74-L78 PolarHBondContact O-N 3.35Å; L75-L78 HydrophobicContact CD2-CD2 4.28Å; L75-L78 WeakPolarHBondContact O-CB 3.35Å; L75-L78 PolarHBondContact O-N 3.21Å; L75-L78 VanDerWaalsContact O-N 3.1Å; F76-L78 VanDerWaalsContact C-N 3.3Å; F76-L78 PolarHBondContact O-N 2.94Å; L78-V80 PolarHBondContact O-N 2.96Å; L78-T81 PolarHBondContact O-N 2.99Å; L78-V82 WeakPolarHBondContact O-CB 3.37Å; L78-V82 WeakPolarHBondContact O-CG2 3.32Å; L78-V82 PolarHBondContact O-N 3.12Å; L78-E431 HydrophobicContact CD2-CB 4.36Å; L78-I435 HydrophobicContact CD1-CB 4.04Å; L78-I435 HydrophobicContact CD1-CD1 3.95Å; L78-I435 HydrophobicContact CD1-CG2 3.6Å; L78-I435 HydrophobicContact CD2-CB 4.31Å; L78-I435 HydrophobicContact CD2-CD1 3.78Å; L78-I435 HydrophobicContact CG-CD1 3.72Å; L78-I444 HydrophobicContact CD1-CG1 4.28Å; L78-W464 HydrophobicContact CB-CZ2 3.99Å; L78-W464 HydrophobicContact CD1-CD2 3.83Å; L78-W464 HydrophobicContact CD1-CE3 4.17Å; L78-W464 HydrophobicContact CD1-CG 4.28Å; L78-W464 HydrophobicContact CD1-CH2 4.2Å; L78-W464 HydrophobicContact CD1-CZ2 3.88Å; L78-W464 HydrophobicContact CD1-CZ3 4.35Å; L78-W464 HydrophobicContact CD2-CG 4.28Å |
| 79 | E | 91.7 | Very high | 87.9 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.7 | -44.8 | -178.9 | -77.7 | -171.9 | -126.5 | 0 | 0 | 112.5 | L75 F76 V82 G83 I274 G275 L279 E431 | L75-E79 PolarHBondContact O-N 2.98Å; F76-E79 PolarHBondContact O-N 3.25Å; E79-V82 PolarHBondContact O-N 2.83Å; E79-G83 PolarHBondContact O-N 2.82Å; E79-I274 VanDerWaalsContact OE1-CA 3.22Å; E79-I274 WeakPolarHBondContact OE1-CA 3.47Å; E79-I274 WeakPolarHBondContact OE1-CG2 3.42Å; E79-G275 PolarHBondContact OE1-N 3.49Å; E79-L279 HydrophobicContact CB-CB 3.84Å; E79-L279 HydrophobicContact CB-CD1 4.34Å; E79-E431 WeakPolarHBondContact CG-OE2 3.45Å |
| 80 | V | 84.7 | Confident | 88.5 | Confident | 7 Ų | 7 | 18.8 Ų | 18.8 | 4% | 0.042 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | F31 F76 L78 G83 Q84 L279 | F31-V80 HydrophobicContact CE2-CG1 4.44Å; F31-V80 HydrophobicContact CZ-CG1 3.76Å; F31-V80 HydrophobicContact CZ-CG2 4.02Å; F76-V80 HydrophobicContact CD1-CG2 4.26Å; F76-V80 HydrophobicContact CE1-CG2 3.9Å; F76-V80 HydrophobicContact CZ-CG2 4.11Å; F76-V80 VanDerWaalsContact O-CG2 3.31Å; F76-V80 WeakPolarHBondContact O-CG2 3.42Å; F76-V80 PolarHBondContact O-N 3.43Å; F76-V80 VanDerWaalsContact O-N 3.11Å; L78-V80 PolarHBondContact O-N 2.96Å; V80-G83 PolarHBondContact O-N 2.88Å; V80-Q84 WeakPolarHBondContact O-CB 3.35Å; V80-Q84 PolarHBondContact O-N 3.31Å; V80-L279 HydrophobicContact CG2-CB 4.14Å |
| 81 | T | 86.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.4 | -47.8 | 178.4 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | L77 L78 G83 Q84 V85 I444 M448 M451 | L77-T81 WeakPolarHBondContact O-CB 3.37Å; L77-T81 PolarHBondContact O-N 2.75Å; L77-T81 PolarHBondContact O-OG1 3.05Å; L78-T81 PolarHBondContact O-N 2.99Å; T81-G83 PolarHBondContact O-N 3.05Å; T81-Q84 PolarHBondContact O-N 3.43Å; T81-V85 HydrophobicContact CG2-CG2 4.31Å; T81-V85 VanDerWaalsContact O-CG2 3.28Å; T81-V85 WeakPolarHBondContact O-CG2 3.44Å; T81-V85 PolarHBondContact O-N 2.96Å; T81-I444 HydrophobicContact CG2-CD1 3.49Å; T81-I444 VanDerWaalsContact CG2-CD1 3.49Å; T81-I444 HydrophobicContact CG2-CG1 3.93Å; T81-M448 HydrophobicContact CG2-CG 3.59Å; T81-M451 HydrophobicContact CG2-CE 3.41Å; T81-M451 VanDerWaalsContact CG2-CE 3.41Å |
| 82 | V | 92.2 | Very high | 88.9 | Confident | 8 Ų | 8 | 17.1 Ų | 17.1 | 5% | 0.048 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | 178.4 | 166.4 | 0 | 0 | 0 | 0 | 111.5 | L78 E79 Q84 V85 T86 A93 I96 T280 I435 I444 | L78-V82 WeakPolarHBondContact O-CB 3.37Å; L78-V82 WeakPolarHBondContact O-CG2 3.32Å; L78-V82 PolarHBondContact O-N 3.12Å; E79-V82 PolarHBondContact O-N 2.83Å; V82-Q84 VanDerWaalsContact C-N 3.29Å; V82-Q84 PolarHBondContact O-N 3.09Å; V82-V85 PolarHBondContact O-N 3.21Å; V82-T86 HydrophobicContact CG1-CG2 4.41Å; V82-T86 WeakPolarHBondContact O-CB 3.41Å; V82-T86 VanDerWaalsContact O-CG2 3.28Å; V82-T86 WeakPolarHBondContact O-CG2 3.34Å; V82-T86 PolarHBondContact O-N 3.13Å; V82-T86 PolarHBondContact O-OG1 2.89Å; V82-A93 HydrophobicContact CG1-CB 3.97Å; V82-I96 HydrophobicContact CG1-CD1 3.86Å; V82-I96 HydrophobicContact CG2-CD1 3.87Å; V82-T280 HydrophobicContact CG1-CG2 4.4Å; V82-I435 HydrophobicContact CG2-CD1 3.65Å; V82-I444 HydrophobicContact CG2-CD1 4.27Å |
| 83 | G | 89.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.1 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | E79 V80 T81 T86 R87 T280 S284 | E79-G83 PolarHBondContact O-N 2.82Å; V80-G83 PolarHBondContact O-N 2.88Å; T81-G83 PolarHBondContact O-N 3.05Å; G83-T86 PolarHBondContact O-OG1 3.43Å; G83-R87 WeakPolarHBondContact O-CA 3.34Å; G83-R87 PolarHBondContact O-N 3.44Å; G83-T280 VanDerWaalsContact CA-CG2 3.47Å; G83-T280 VanDerWaalsContact CA-O 3.26Å; G83-T280 WeakPolarHBondContact CA-O 3.42Å; G83-S284 WeakPolarHBondContact O-CA 3.26Å; G83-S284 WeakPolarHBondContact O-CB 3.36Å |
| 84 | Q | 84.5 | Confident | 90.1 | Very high | 13 Ų | 13 | 13.9 Ų | 13.9 | 6% | 0.061 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -72.2 | -37.4 | -178.9 | -164.9 | 178.8 | -23.4 | 0 | 0 | 113.2 | V80 T81 V82 R87 G283 N286 M451 Y452 | V80-Q84 WeakPolarHBondContact O-CB 3.35Å; V80-Q84 PolarHBondContact O-N 3.31Å; T81-Q84 PolarHBondContact O-N 3.43Å; V82-Q84 VanDerWaalsContact C-N 3.29Å; V82-Q84 PolarHBondContact O-N 3.09Å; Q84-R87 WeakPolarHBondContact O-CD 3.48Å; Q84-G283 VanDerWaalsContact CA-O 3.3Å; Q84-G283 WeakPolarHBondContact CA-O 3.45Å; Q84-G283 WeakPolarHBondContact CB-O 3.37Å; Q84-N286 HydrophobicContact CG-CB 4.32Å; Q84-M451 HydrophobicContact CB-CE 4.21Å; Q84-M451 HydrophobicContact CB-SD 3.61Å; Q84-M451 HydrophobicContact CG-CE 4.5Å; Q84-M451 HydrophobicContact CG-SD 3.45Å; Q84-M451 WeakPolarHBondContact CG-SD 3.33Å; Q84-Y452 PolarHBondContact OE1-OH 3.07Å |
| 85 | V | 86.9 | Confident | 90.4 | Very high | 6 Ų | 6 | 16 Ų | 16 | 4% | 0.036 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65 | -45.9 | 175.3 | 169.2 | 0 | 0 | 0 | 0 | 111 | T81 V82 D447 M451 I545 | T81-V85 HydrophobicContact CG2-CG2 4.31Å; T81-V85 VanDerWaalsContact O-CG2 3.28Å; T81-V85 WeakPolarHBondContact O-CG2 3.44Å; T81-V85 PolarHBondContact O-N 2.96Å; V82-V85 PolarHBondContact O-N 3.21Å; V85-D447 HydrophobicContact CG2-CB 3.54Å; V85-M451 HydrophobicContact CG2-CE 3.48Å; V85-M451 VanDerWaalsContact CG2-CE 3.48Å; V85-M451 HydrophobicContact CG2-SD 3.68Å; V85-I545 HydrophobicContact CG1-CD1 4.25Å |
| 86 | T | 89.9 | Confident | 90.5 | Very high | 12 Ų | 12 | 16.1 Ų | 16.1 | 7% | 0.074 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -83.5 | -26.2 | -172.7 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | V82 G83 R88 A93 I96 | V82-T86 HydrophobicContact CG1-CG2 4.41Å; V82-T86 WeakPolarHBondContact O-CB 3.41Å; V82-T86 VanDerWaalsContact O-CG2 3.28Å; V82-T86 WeakPolarHBondContact O-CG2 3.34Å; V82-T86 PolarHBondContact O-N 3.13Å; V82-T86 PolarHBondContact O-OG1 2.89Å; G83-T86 PolarHBondContact O-OG1 3.43Å; T86-R88 WeakPolarHBondContact O-CG 3.47Å; T86-R88 PolarHBondContact O-N 2.96Å; T86-R88 PolarHBondContact OG1-N 2.89Å; T86-A93 HydrophobicContact CG2-CB 4.17Å; T86-A93 WeakPolarHBondContact OG1-CB 3.21Å; T86-I96 HydrophobicContact CG2-CG2 3.68Å |
| 87 | R | 87.7 | Confident | 91.1 | Very high | 63 Ų | 63 | 13.9 Ų | 13.9 | 24% | 0.238 | 7% | 0.066 | C | C | . | . | trans | 56.1 | 27.4 | -170.6 | -53.5 | -64.8 | -64.3 | -177.3 | 1.7 | 112.2 | R22 G83 Q84 S284 N286 | R22-R87 VanDerWaalsContact CD-O 3.23Å; R22-R87 WeakPolarHBondContact CD-O 3.31Å; R22-R87 PolarHBondContact NH1-O 2.87Å; G83-R87 WeakPolarHBondContact O-CA 3.34Å; G83-R87 PolarHBondContact O-N 3.44Å; Q84-R87 WeakPolarHBondContact O-CD 3.48Å; R87-S284 PolarHBondContact NE-O 3.47Å; R87-S284 VanDerWaalsContact NE-O 3.17Å; R87-S284 PolarHBondContact NH1-O 3.4Å; R87-S284 VanDerWaalsContact NH1-O 3.15Å; R87-S284 PolarHBondContact NH2-O 3.46Å; R87-S284 VanDerWaalsContact NH2-O 3.1Å; R87-N286 PolarHBondContact NH1-O 3.32Å | ||
| 88 | R | 89.7 | Confident | 91.7 | Very high | 71 Ų | 71 | 12.3 Ų | 12.3 | 27% | 0.268 | 6% | 0.058 | S | C | . | . | S | Bend | trans | -119.4 | 153.6 | -178.9 | -65.3 | -53.8 | 179.9 | 148.6 | 5.7 | 110.5 | T86 A92 A93 S284 D373 E546 | T86-R88 WeakPolarHBondContact O-CG 3.47Å; T86-R88 PolarHBondContact O-N 2.96Å; T86-R88 PolarHBondContact OG1-N 2.89Å; R88-A92 HydrophobicContact CB-CB 3.86Å; R88-A92 HydrophobicContact CG-CB 3.97Å; R88-A93 HydrophobicContact CB-CB 4.28Å; R88-S284 WeakPolarHBondContact O-CB 3.5Å; R88-D373 WeakPolarHBondContact CA-OD2 3.49Å; R88-D373 WeakPolarHBondContact CB-OD2 3.43Å; R88-E546 IonicContact NH2-OE2 3.51Å; R88-E546 PolarHBondContact NH2-OE2 3.1Å |
| 89 | G | 91 | Very high | 92 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | -66.3 | 168.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I91 A92 A93 D373 | G89-I91 VanDerWaalsContact C-N 3.34Å; G89-I91 PolarHBondContact O-N 3.15Å; G89-I91 VanDerWaalsContact O-N 3.14Å; G89-A92 PolarHBondContact O-N 3.43Å; G89-A93 WeakPolarHBondContact O-CB 3.3Å; G89-A93 PolarHBondContact O-N 3.24Å; G89-D373 WeakPolarHBondContact CA-OD2 3.44Å; G89-D373 PolarHBondContact N-OD2 3.2Å | ||
| 90 | V | 95.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.012 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -54.6 | -44 | -161.1 | 70 | 0 | 0 | 0 | 0 | 113.8 | A93 W94 G104 C107 T108 T280 A370 | V90-A93 WeakPolarHBondContact O-CB 3.41Å; V90-A93 PolarHBondContact O-N 2.89Å; V90-W94 PolarHBondContact O-N 2.85Å; V90-G104 WeakPolarHBondContact CG1-O 3.11Å; V90-C107 HydrophobicContact CG1-CB 4.33Å; V90-C107 HydrophobicContact CG2-CB 4.07Å; V90-T108 VanDerWaalsContact CG1-OG1 3.27Å; V90-T108 WeakPolarHBondContact CG1-OG1 3.04Å; V90-T280 HydrophobicContact CB-CG2 4.44Å; V90-A370 HydrophobicContact CG1-CB 3.97Å |
| 91 | I | 95.8 | Very high | 92.8 | Very high | 8 Ų | 8 | 14.2 Ų | 14.2 | 4% | 0.041 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.5 | -49 | -176 | -55.3 | 168.4 | 0 | 0 | 0 | 112.1 | G89 A93 W94 Q101 Y105 T108 A370 Y374 | G89-I91 VanDerWaalsContact C-N 3.34Å; G89-I91 PolarHBondContact O-N 3.15Å; G89-I91 VanDerWaalsContact O-N 3.14Å; I91-A93 VanDerWaalsContact C-N 3.33Å; I91-W94 PolarHBondContact O-N 3.31Å; I91-Q101 HydrophobicContact CG2-CG 4.08Å; I91-Q101 PolarHBondContact O-NE2 3.09Å; I91-Y105 HydrophobicContact CD1-CD1 3.81Å; I91-Y105 HydrophobicContact CD1-CE1 3.85Å; I91-Y105 HydrophobicContact CD1-CG 4.32Å; I91-Y105 HydrophobicContact CG1-CD1 4.36Å; I91-Y105 HydrophobicContact CG1-CG 4.38Å; I91-Y105 HydrophobicContact CG2-CD1 4.38Å; I91-Y105 HydrophobicContact CG2-CD2 3.63Å; I91-Y105 HydrophobicContact CG2-CE1 4.13Å; I91-Y105 HydrophobicContact CG2-CE2 3.34Å; I91-Y105 HydrophobicContact CG2-CG 4.16Å; I91-T108 HydrophobicContact CD1-CG2 4.39Å; I91-T108 WeakPolarHBondContact CG1-OG1 3.1Å; I91-A370 HydrophobicContact CD1-CB 3.96Å; I91-A370 HydrophobicContact CG1-CB 4.06Å; I91-Y374 HydrophobicContact CB-CE2 4.06Å; I91-Y374 HydrophobicContact CD1-CE2 4.31Å; I91-Y374 HydrophobicContact CG2-CE2 3.72Å; I91-Y374 WeakPolarHBondContact CG2-OH 3.42Å |
| 92 | A | 94.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 14.2 Ų | 14.2 | 8% | 0.083 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -76.2 | -24.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | R88 G89 W94 N95 D373 | R88-A92 HydrophobicContact CB-CB 3.86Å; R88-A92 HydrophobicContact CG-CB 3.97Å; G89-A92 PolarHBondContact O-N 3.43Å; A92-W94 PolarHBondContact O-N 2.86Å; A92-N95 VanDerWaalsContact O-CB 3.26Å; A92-N95 WeakPolarHBondContact O-CB 3.36Å; A92-N95 VanDerWaalsContact O-CG 3.3Å; A92-N95 PolarHBondContact O-N 3.5Å; A92-N95 PolarHBondContact O-ND2 3.35Å; A92-D373 HydrophobicContact CB-CB 3.77Å; A92-D373 WeakPolarHBondContact CB-OD2 3.35Å |
| 93 | A | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.3 | -30.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V82 T86 R88 G89 V90 I91 N95 I96 T280 | V82-A93 HydrophobicContact CG1-CB 3.97Å; T86-A93 HydrophobicContact CG2-CB 4.17Å; T86-A93 WeakPolarHBondContact OG1-CB 3.21Å; R88-A93 HydrophobicContact CB-CB 4.28Å; G89-A93 WeakPolarHBondContact O-CB 3.3Å; G89-A93 PolarHBondContact O-N 3.24Å; V90-A93 WeakPolarHBondContact O-CB 3.41Å; V90-A93 PolarHBondContact O-N 2.89Å; I91-A93 VanDerWaalsContact C-N 3.33Å; A93-N95 PolarHBondContact O-N 2.88Å; A93-N95 VanDerWaalsContact O-N 3.09Å; A93-I96 WeakPolarHBondContact O-CG1 3.36Å; A93-I96 WeakPolarHBondContact O-CG2 3.48Å; A93-I96 PolarHBondContact O-N 2.88Å; A93-T280 HydrophobicContact CB-CG2 3.59Å |
| 94 | W | 96.5 | Very high | 94 | Very high | 5 Ų | 5 | 13.8 Ų | 13.8 | 2% | 0.019 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -69.9 | 2.6 | 172.8 | -79.3 | 97.3 | 0 | 0 | 0 | 115.2 | V90 I91 A92 I96 C97 F100 Q101 V103 G104 E431 V434 | V90-W94 PolarHBondContact O-N 2.85Å; I91-W94 PolarHBondContact O-N 3.31Å; A92-W94 PolarHBondContact O-N 2.86Å; W94-I96 PolarHBondContact O-N 3.47Å; W94-I96 VanDerWaalsContact O-N 3.09Å; W94-C97 CarbonylContact O-C 3.18Å; W94-C97 PolarHBondContact O-N 2.73Å; W94-C97 VanDerWaalsContact O-O 3.07Å; W94-F100 HydrophobicContact CE3-CB 4.04Å; W94-F100 HydrophobicContact CZ3-CB 3.86Å; W94-Q101 HydrophobicContact CB-CB 4.29Å; W94-Q101 HydrophobicContact CB-CG 4.34Å; W94-V103 HydrophobicContact CD2-CB 4.05Å; W94-V103 HydrophobicContact CE3-CB 4.46Å; W94-V103 HydrophobicContact CH2-CB 3.95Å; W94-V103 HydrophobicContact CH2-CG1 3.92Å; W94-V103 HydrophobicContact CH2-CG2 4.01Å; W94-V103 HydrophobicContact CZ2-CB 3.57Å; W94-V103 HydrophobicContact CZ2-CG1 3.25Å; W94-V103 HydrophobicContact CZ2-CG2 4.14Å; W94-V103 HydrophobicContact CZ3-CB 4.4Å; W94-V103 HydrophobicContact CZ3-CG2 4.34Å; W94-G104 VanDerWaalsContact CD1-CA 3.45Å; W94-G104 VanDerWaalsContact CD1-N 3.31Å; W94-E431 HydrophobicContact CH2-CB 4.42Å; W94-E431 HydrophobicContact CH2-CG 4.39Å; W94-E431 HydrophobicContact CZ2-CB 4.22Å; W94-E431 HydrophobicContact CZ2-CG 3.83Å; W94-V434 HydrophobicContact CH2-CB 4.4Å; W94-V434 HydrophobicContact CZ3-CB 4.08Å; W94-V434 HydrophobicContact CZ3-CG1 3.83Å |
| 95 | N | 94.7 | Very high | 94.5 | Very high | 47 Ų | 47 | 16.6 Ų | 16.6 | 25% | 0.251 | 7% | 0.074 | S | C | . | . | G | 310 helix | trans | -62.2 | -8.8 | 162.7 | -72.8 | -14.8 | 0 | 0 | 0 | 112.7 | A92 A93 C97 P98 Q101 P543 I544 | A92-N95 VanDerWaalsContact O-CB 3.26Å; A92-N95 WeakPolarHBondContact O-CB 3.36Å; A92-N95 VanDerWaalsContact O-CG 3.3Å; A92-N95 PolarHBondContact O-N 3.5Å; A92-N95 PolarHBondContact O-ND2 3.35Å; A93-N95 PolarHBondContact O-N 2.88Å; A93-N95 VanDerWaalsContact O-N 3.09Å; N95-C97 PolarHBondContact O-N 3.4Å; N95-P98 WeakPolarHBondContact O-CD 3.21Å; N95-Q101 PolarHBondContact OD1-NE2 2.87Å; N95-P543 CarbonylContact O-C 3.55Å; N95-P543 WeakPolarHBondContact O-CA 2.99Å; N95-I544 HydrophobicContact CB-CB 4.41Å; N95-I544 VanDerWaalsContact CB-O 3.32Å; N95-I544 WeakPolarHBondContact CB-O 3.25Å; N95-I544 PolarHBondContact O-N 3.38Å |
| 96 | I | 94.8 | Very high | 95 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.01 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -60.1 | -26.1 | 163.7 | 64.2 | 177.8 | 0 | 0 | 0 | 112.9 | V82 T86 A93 W94 I435 Y439 P543 I545 | V82-I96 HydrophobicContact CG1-CD1 3.86Å; V82-I96 HydrophobicContact CG2-CD1 3.87Å; T86-I96 HydrophobicContact CG2-CG2 3.68Å; A93-I96 WeakPolarHBondContact O-CG1 3.36Å; A93-I96 WeakPolarHBondContact O-CG2 3.48Å; A93-I96 PolarHBondContact O-N 2.88Å; W94-I96 PolarHBondContact O-N 3.47Å; W94-I96 VanDerWaalsContact O-N 3.09Å; I96-I435 HydrophobicContact CD1-CD1 3.94Å; I96-I435 HydrophobicContact CD1-CG1 3.73Å; I96-Y439 HydrophobicContact CB-CD2 3.79Å; I96-Y439 HydrophobicContact CB-CE2 3.99Å; I96-Y439 HydrophobicContact CB-CG 4.48Å; I96-Y439 HydrophobicContact CG2-CD2 4.35Å; I96-Y439 HydrophobicContact CG2-CE2 4.05Å; I96-P543 VanDerWaalsContact O-CG 3.29Å; I96-P543 WeakPolarHBondContact O-CG 3.44Å; I96-I545 HydrophobicContact CG2-CD1 4.08Å; I96-I545 HydrophobicContact CG2-CG1 4.39Å |
| 97 | C | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -150.8 | 84.3 | 171.3 | -169.8 | 0 | 0 | 0 | 0 | 108.9 | W94 N95 L99 F100 V434 | W94-C97 CarbonylContact O-C 3.18Å; W94-C97 PolarHBondContact O-N 2.73Å; W94-C97 VanDerWaalsContact O-O 3.07Å; N95-C97 PolarHBondContact O-N 3.4Å; C97-L99 PolarHBondContact O-N 3.46Å; C97-F100 PolarHBondContact O-N 3.17Å; C97-V434 HydrophobicContact CB-CG1 3.7Å |
| 98 | P | 96.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.013 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -52.6 | -28.2 | -174.9 | -29.7 | 34.7 | 0 | 0 | 0 | 115.2 | N95 F100 Q101 L540 I542 I544 | N95-P98 WeakPolarHBondContact O-CD 3.21Å; P98-F100 PolarHBondContact O-N 2.86Å; P98-Q101 WeakPolarHBondContact O-CB 3.29Å; P98-Q101 PolarHBondContact O-N 3.22Å; P98-L540 HydrophobicContact CB-CD2 3.9Å; P98-L540 WeakPolarHBondContact CD-O 3.35Å; P98-L540 VanDerWaalsContact N-O 3.15Å; P98-I542 WeakPolarHBondContact CD-O 3.45Å; P98-I544 HydrophobicContact CG-CD1 3.67Å; P98-I544 HydrophobicContact CG-CG1 3.93Å |
| 99 | L | 97.6 | Very high | 95.9 | Very high | 13 Ų | 13 | 11.8 Ų | 11.8 | 7% | 0.068 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | -58.5 | -35.8 | 175.1 | -171.3 | 64.2 | 0 | 0 | 0 | 112.6 | C97 M522 I526 I537 L540 | C97-L99 PolarHBondContact O-N 3.46Å; L99-M522 HydrophobicContact CD1-CG 3.6Å; L99-M522 HydrophobicContact CD1-SD 4.49Å; L99-M522 HydrophobicContact CG-CE 4.43Å; L99-M522 HydrophobicContact CG-CG 4.04Å; L99-I526 HydrophobicContact CD1-CD1 3.97Å; L99-I526 HydrophobicContact CD1-CG1 3.9Å; L99-I537 HydrophobicContact CD2-CG2 4.3Å; L99-L540 HydrophobicContact CB-CB 3.81Å; L99-L540 HydrophobicContact CD1-CB 4.1Å; L99-L540 HydrophobicContact CD1-CD1 3.94Å; L99-L540 PolarHBondContact N-O 3.18Å |
| 100 | F | 97.5 | Very high | 96.1 | Very high | 30 Ų | 30 | 11.8 Ų | 11.8 | 13% | 0.132 | 6% | 0.059 | C | C | . | . | G | 310 helix | trans | -104.6 | 18.8 | -177.2 | -73.4 | -88.4 | 0 | 0 | 0 | 112.9 | W94 C97 P98 G102 V103 L430 V434 I438 M522 | W94-F100 HydrophobicContact CE3-CB 4.04Å; W94-F100 HydrophobicContact CZ3-CB 3.86Å; C97-F100 PolarHBondContact O-N 3.17Å; P98-F100 PolarHBondContact O-N 2.86Å; F100-G102 PolarHBondContact O-N 2.89Å; F100-V103 HydrophobicContact CB-CG2 4.36Å; F100-V103 WeakPolarHBondContact O-CB 3.27Å; F100-V103 WeakPolarHBondContact O-CG2 3.3Å; F100-V103 PolarHBondContact O-N 2.7Å; F100-L430 HydrophobicContact CD1-CD2 4.49Å; F100-L430 HydrophobicContact CE1-CD2 4.13Å; F100-V434 HydrophobicContact CB-CG1 4.2Å; F100-V434 HydrophobicContact CB-CG2 4.28Å; F100-V434 HydrophobicContact CD1-CG2 3.7Å; F100-V434 HydrophobicContact CD2-CG1 3.89Å; F100-V434 HydrophobicContact CD2-CG2 3.75Å; F100-V434 HydrophobicContact CE1-CG2 3.87Å; F100-V434 HydrophobicContact CE2-CG2 3.92Å; F100-V434 HydrophobicContact CG-CG1 4.12Å; F100-V434 HydrophobicContact CG-CG2 3.63Å; F100-V434 HydrophobicContact CZ-CG2 3.98Å; F100-I438 HydrophobicContact CD2-CD1 4.21Å; F100-I438 HydrophobicContact CE2-CD1 3.61Å; F100-I438 HydrophobicContact CZ-CD1 4.44Å; F100-M522 HydrophobicContact CD1-CE 3.95Å; F100-M522 HydrophobicContact CE1-CE 3.58Å; F100-M522 HydrophobicContact CE2-CE 4.42Å; F100-M522 HydrophobicContact CZ-CE 3.85Å |
| 101 | Q | 96.8 | Very high | 96 | Very high | 6 Ų | 6 | 11.8 Ų | 11.8 | 3% | 0.028 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.9 | 178 | -177.5 | 162.8 | 57.5 | 0 | 0 | 114.2 | I91 W94 N95 P98 V103 G104 Y105 V521 | I91-Q101 HydrophobicContact CG2-CG 4.08Å; I91-Q101 PolarHBondContact O-NE2 3.09Å; W94-Q101 HydrophobicContact CB-CB 4.29Å; W94-Q101 HydrophobicContact CB-CG 4.34Å; N95-Q101 PolarHBondContact OD1-NE2 2.87Å; P98-Q101 WeakPolarHBondContact O-CB 3.29Å; P98-Q101 PolarHBondContact O-N 3.22Å; Q101-V103 PolarHBondContact O-N 3.23Å; Q101-G104 PolarHBondContact O-N 2.99Å; Q101-Y105 HydrophobicContact CG-CD2 4.41Å; Q101-Y105 HydrophobicContact CG-CE2 4.16Å; Q101-V521 HydrophobicContact CB-CG1 4.14Å |
| 102 | G | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.8 | -20.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F100 Y105 A106 | F100-G102 PolarHBondContact O-N 2.89Å; G102-Y105 WeakPolarHBondContact O-CB 3.3Å; G102-Y105 PolarHBondContact O-N 3.12Å; G102-A106 PolarHBondContact O-N 2.64Å |
| 103 | V | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 173.7 | -180 | 0 | 0 | 0 | 0 | 110.5 | W94 F100 Q101 Y105 A106 C107 V427 L430 E431 I518 | W94-V103 HydrophobicContact CD2-CB 4.05Å; W94-V103 HydrophobicContact CE3-CB 4.46Å; W94-V103 HydrophobicContact CH2-CB 3.95Å; W94-V103 HydrophobicContact CH2-CG1 3.92Å; W94-V103 HydrophobicContact CH2-CG2 4.01Å; W94-V103 HydrophobicContact CZ2-CB 3.57Å; W94-V103 HydrophobicContact CZ2-CG1 3.25Å; W94-V103 HydrophobicContact CZ2-CG2 4.14Å; W94-V103 HydrophobicContact CZ3-CB 4.4Å; W94-V103 HydrophobicContact CZ3-CG2 4.34Å; F100-V103 HydrophobicContact CB-CG2 4.36Å; F100-V103 WeakPolarHBondContact O-CB 3.27Å; F100-V103 WeakPolarHBondContact O-CG2 3.3Å; F100-V103 PolarHBondContact O-N 2.7Å; Q101-V103 PolarHBondContact O-N 3.23Å; V103-Y105 VanDerWaalsContact C-N 3.3Å; V103-Y105 PolarHBondContact O-N 3.05Å; V103-A106 WeakPolarHBondContact O-CB 3.4Å; V103-A106 PolarHBondContact O-N 2.91Å; V103-A106 VanDerWaalsContact O-N 3.11Å; V103-C107 PolarHBondContact O-N 3.09Å; V103-C107 PolarHBondContact O-SG 2.87Å; V103-V427 HydrophobicContact CG1-CG1 4.03Å; V103-L430 HydrophobicContact CG2-CB 4.06Å; V103-L430 HydrophobicContact CG2-CD1 4.1Å; V103-E431 HydrophobicContact CG1-CG 4.17Å; V103-I518 HydrophobicContact CG2-CD1 4.19Å; V103-I518 HydrophobicContact CG2-CG1 4.34Å; V103-I518 HydrophobicContact CG2-CG2 4.29Å |
| 104 | G | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.9 | -34 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V90 W94 Q101 T108 | V90-G104 WeakPolarHBondContact CG1-O 3.11Å; W94-G104 VanDerWaalsContact CD1-CA 3.45Å; W94-G104 VanDerWaalsContact CD1-N 3.31Å; Q101-G104 PolarHBondContact O-N 2.99Å; G104-T108 WeakPolarHBondContact O-CB 3.4Å; G104-T108 PolarHBondContact O-N 3.27Å; G104-T108 VanDerWaalsContact O-N 3.09Å; G104-T108 PolarHBondContact O-OG1 3.5Å |
| 105 | Y | 96.2 | Very high | 95.6 | Very high | 72 Ų | 72 | 14.8 Ų | 14.8 | 28% | 0.282 | 7% | 0.071 | S | C | . | . | H | α-helix | trans | -65 | -44 | 171.7 | -79 | -79.8 | 0 | 0 | 0 | 111.6 | I91 Q101 G102 V103 T108 V109 Y374 V521 | I91-Y105 HydrophobicContact CD1-CD1 3.81Å; I91-Y105 HydrophobicContact CD1-CE1 3.85Å; I91-Y105 HydrophobicContact CD1-CG 4.32Å; I91-Y105 HydrophobicContact CG1-CD1 4.36Å; I91-Y105 HydrophobicContact CG1-CG 4.38Å; I91-Y105 HydrophobicContact CG2-CD1 4.38Å; I91-Y105 HydrophobicContact CG2-CD2 3.63Å; I91-Y105 HydrophobicContact CG2-CE1 4.13Å; I91-Y105 HydrophobicContact CG2-CE2 3.34Å; I91-Y105 HydrophobicContact CG2-CG 4.16Å; Q101-Y105 HydrophobicContact CG-CD2 4.41Å; Q101-Y105 HydrophobicContact CG-CE2 4.16Å; G102-Y105 WeakPolarHBondContact O-CB 3.3Å; G102-Y105 PolarHBondContact O-N 3.12Å; V103-Y105 VanDerWaalsContact C-N 3.3Å; V103-Y105 PolarHBondContact O-N 3.05Å; Y105-T108 PolarHBondContact O-N 3.21Å; Y105-V109 WeakPolarHBondContact O-CG2 3.2Å; Y105-V109 PolarHBondContact O-N 3.27Å; Y105-Y374 PolarHBondContact OH-OH 2.98Å; Y105-Y374 VanDerWaalsContact OH-OH 3.09Å; Y105-V521 HydrophobicContact CD2-CG2 3.9Å; Y105-V521 HydrophobicContact CE2-CG2 4.2Å |
| 106 | A | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.9 | -49.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G102 V103 T108 V109 I110 V427 S514 I518 | G102-A106 PolarHBondContact O-N 2.64Å; V103-A106 WeakPolarHBondContact O-CB 3.4Å; V103-A106 PolarHBondContact O-N 2.91Å; V103-A106 VanDerWaalsContact O-N 3.11Å; A106-T108 VanDerWaalsContact C-N 3.27Å; A106-T108 PolarHBondContact O-N 3.15Å; A106-V109 PolarHBondContact O-N 2.87Å; A106-I110 WeakPolarHBondContact O-CD1 3.41Å; A106-I110 WeakPolarHBondContact O-CG1 3.45Å; A106-I110 PolarHBondContact O-N 3.22Å; A106-V427 HydrophobicContact CB-CG2 4.36Å; A106-S514 WeakPolarHBondContact CB-O 3.21Å; A106-I518 HydrophobicContact CB-CD1 4.24Å; A106-I518 HydrophobicContact CB-CG1 4.11Å |
| 107 | C | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -55.2 | -43.3 | 176.5 | -59.5 | 0 | 0 | 0 | 0 | 112 | V90 V103 N111 G275 V427 | V90-C107 HydrophobicContact CG1-CB 4.33Å; V90-C107 HydrophobicContact CG2-CB 4.07Å; V103-C107 PolarHBondContact O-N 3.09Å; V103-C107 PolarHBondContact O-SG 2.87Å; C107-N111 VanDerWaalsContact O-CB 3.23Å; C107-N111 WeakPolarHBondContact O-CB 3.37Å; C107-N111 PolarHBondContact O-N 3.39Å; C107-G275 WeakPolarHBondContact CA-O 3.29Å; C107-G275 WeakPolarHBondContact CB-O 3.06Å; C107-G275 PolarHBondContact SG-O 2.89Å; C107-G275 VanDerWaalsContact SG-O 3.39Å; C107-V427 WeakPolarHBondContact SG-CG1 3.46Å |
| 108 | T | 95.6 | Very high | 95.2 | Very high | 11 Ų | 11 | 13.7 Ų | 13.7 | 7% | 0.067 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.1 | -41.1 | -178.5 | -55.3 | 0 | 0 | 0 | 0 | 112 | V90 I91 G104 Y105 A106 F112 F367 A370 | V90-T108 VanDerWaalsContact CG1-OG1 3.27Å; V90-T108 WeakPolarHBondContact CG1-OG1 3.04Å; I91-T108 HydrophobicContact CD1-CG2 4.39Å; I91-T108 WeakPolarHBondContact CG1-OG1 3.1Å; G104-T108 WeakPolarHBondContact O-CB 3.4Å; G104-T108 PolarHBondContact O-N 3.27Å; G104-T108 VanDerWaalsContact O-N 3.09Å; G104-T108 PolarHBondContact O-OG1 3.5Å; Y105-T108 PolarHBondContact O-N 3.21Å; A106-T108 VanDerWaalsContact C-N 3.27Å; A106-T108 PolarHBondContact O-N 3.15Å; T108-F112 WeakPolarHBondContact O-CB 3.33Å; T108-F112 PolarHBondContact O-N 3.44Å; T108-F367 HydrophobicContact CG2-CD2 3.52Å; T108-F367 HydrophobicContact CG2-CE2 3.77Å; T108-F367 HydrophobicContact CG2-CG 4.38Å; T108-A370 HydrophobicContact CG2-CB 3.96Å |
| 109 | V | 95.2 | Very high | 95 | Very high | 39 Ų | 39 | 13.6 Ų | 13.6 | 24% | 0.236 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -71.4 | -41.2 | 178.3 | 174 | 0 | 0 | 0 | 0 | 111.6 | Y105 A106 N111 F112 F113 S514 L517 | Y105-V109 WeakPolarHBondContact O-CG2 3.2Å; Y105-V109 PolarHBondContact O-N 3.27Å; A106-V109 PolarHBondContact O-N 2.87Å; V109-N111 VanDerWaalsContact C-N 3.35Å; V109-N111 PolarHBondContact O-N 3.19Å; V109-F112 WeakPolarHBondContact O-CB 3.27Å; V109-F112 PolarHBondContact O-N 3.46Å; V109-F113 HydrophobicContact CG1-CD2 4.12Å; V109-F113 HydrophobicContact CG1-CE2 3.53Å; V109-F113 HydrophobicContact CG1-CZ 3.88Å; V109-F113 WeakPolarHBondContact O-CD2 3.45Å; V109-F113 PolarHBondContact O-N 3.23Å; V109-S514 WeakPolarHBondContact CG1-OG 3.27Å; V109-L517 HydrophobicContact CB-CD1 4.25Å; V109-L517 HydrophobicContact CG2-CD1 3.61Å |
| 110 | I | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57.4 | -52.1 | 173.2 | -64.1 | 161.7 | 0 | 0 | 0 | 109.2 | A106 F112 F113 L114 L276 I423 V427 | A106-I110 WeakPolarHBondContact O-CD1 3.41Å; A106-I110 WeakPolarHBondContact O-CG1 3.45Å; A106-I110 PolarHBondContact O-N 3.22Å; I110-F112 VanDerWaalsContact C-N 3.3Å; I110-F112 PolarHBondContact O-N 2.92Å; I110-F113 PolarHBondContact O-N 3.39Å; I110-F113 VanDerWaalsContact O-N 3.08Å; I110-L114 HydrophobicContact CG2-CD1 3.52Å; I110-L114 WeakPolarHBondContact O-CD1 3.42Å; I110-L114 PolarHBondContact O-N 3.41Å; I110-L276 HydrophobicContact CB-CD2 4.4Å; I110-L276 HydrophobicContact CG2-CD2 3.54Å; I110-I423 HydrophobicContact CD1-CG2 3.66Å; I110-I423 HydrophobicContact CG1-CG2 4.26Å; I110-V427 HydrophobicContact CD1-CG2 4.04Å |
| 111 | N | 94 | Very high | 94.7 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.011 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -57.6 | -40.2 | 177.7 | -178.8 | 33.8 | 0 | 0 | 0 | 112.5 | C107 V109 F113 L114 N115 L276 G363 | C107-N111 VanDerWaalsContact O-CB 3.23Å; C107-N111 WeakPolarHBondContact O-CB 3.37Å; C107-N111 PolarHBondContact O-N 3.39Å; V109-N111 VanDerWaalsContact C-N 3.35Å; V109-N111 PolarHBondContact O-N 3.19Å; N111-F113 PolarHBondContact O-N 3.42Å; N111-L114 PolarHBondContact O-N 2.94Å; N111-N115 PolarHBondContact O-N 3.41Å; N111-N115 PolarHBondContact O-ND2 3.46Å; N111-N115 PolarHBondContact OD1-ND2 3.45Å; N111-N115 VanDerWaalsContact OD1-ND2 3.08Å; N111-L276 HydrophobicContact CB-CB 4.38Å; N111-L276 WeakPolarHBondContact CB-O 3.4Å; N111-G363 PolarHBondContact ND2-O 2.81Å; N111-G363 WeakPolarHBondContact OD1-CA 3.28Å |
| 112 | F | 94.2 | Very high | 94.5 | Very high | 46 Ų | 46 | 11.4 Ų | 11.4 | 20% | 0.202 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -58.3 | -46.8 | 173.8 | 175.2 | -96 | 0 | 0 | 0 | 112.2 | T108 V109 I110 L114 N115 C116 F367 T396 V399 | T108-F112 WeakPolarHBondContact O-CB 3.33Å; T108-F112 PolarHBondContact O-N 3.44Å; V109-F112 WeakPolarHBondContact O-CB 3.27Å; V109-F112 PolarHBondContact O-N 3.46Å; I110-F112 VanDerWaalsContact C-N 3.3Å; I110-F112 PolarHBondContact O-N 2.92Å; F112-L114 PolarHBondContact O-N 3.11Å; F112-N115 PolarHBondContact O-N 2.69Å; F112-C116 PolarHBondContact O-N 2.86Å; F112-C116 VanDerWaalsContact O-N 3.09Å; F112-C116 PolarHBondContact O-SG 2.76Å; F112-F367 HydrophobicContact CB-CD2 4.08Å; F112-F367 HydrophobicContact CB-CE2 4.02Å; F112-F367 HydrophobicContact CD2-CD2 4.4Å; F112-F367 HydrophobicContact CD2-CE2 4Å; F112-F367 HydrophobicContact CD2-CZ 4.4Å; F112-F367 HydrophobicContact CG-CE2 4.35Å; F112-T396 HydrophobicContact CD2-CG2 3.86Å; F112-T396 HydrophobicContact CE2-CG2 3.43Å; F112-T396 VanDerWaalsContact CE2-CG2 3.43Å; F112-T396 HydrophobicContact CZ-CG2 4.15Å; F112-V399 HydrophobicContact CZ-CG2 4.45Å |
| 113 | F | 94.7 | Very high | 94.5 | Very high | 26 Ų | 26 | 11.4 Ų | 11.4 | 11% | 0.114 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 176.6 | -66.1 | -41.3 | 0 | 0 | 0 | 112.5 | V109 I110 N111 N115 C116 Y117 F415 M510 | V109-F113 HydrophobicContact CG1-CD2 4.12Å; V109-F113 HydrophobicContact CG1-CE2 3.53Å; V109-F113 HydrophobicContact CG1-CZ 3.88Å; V109-F113 WeakPolarHBondContact O-CD2 3.45Å; V109-F113 PolarHBondContact O-N 3.23Å; I110-F113 PolarHBondContact O-N 3.39Å; I110-F113 VanDerWaalsContact O-N 3.08Å; N111-F113 PolarHBondContact O-N 3.42Å; F113-N115 VanDerWaalsContact C-N 3.35Å; F113-N115 PolarHBondContact O-N 3.03Å; F113-C116 WeakPolarHBondContact O-CB 3.45Å; F113-C116 PolarHBondContact O-N 3.17Å; F113-C116 VanDerWaalsContact O-N 3.14Å; F113-Y117 VanDerWaalsContact O-CD1 3.31Å; F113-Y117 WeakPolarHBondContact O-CD1 3.24Å; F113-Y117 PolarHBondContact O-N 3.09Å; F113-F415 HydrophobicContact CB-CD1 4.3Å; F113-F415 HydrophobicContact CD1-CD1 4.43Å; F113-F415 AromaticContact CD1-CE1 3.86Å; F113-F415 HydrophobicContact CD1-CE1 3.86Å; F113-M510 HydrophobicContact CD1-CE 4.25Å; F113-M510 HydrophobicContact CE1-CE 4.39Å; F113-M510 HydrophobicContact CE2-CB 4.49Å; F113-M510 HydrophobicContact CG-CE 4.41Å |
| 114 | L | 92.4 | Very high | 94.5 | Very high | 7 Ų | 7 | 11.4 Ų | 11.4 | 4% | 0.037 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -59.1 | -45.8 | 175.3 | -84.2 | 85.9 | 0 | 0 | 0 | 111.7 | I110 N111 F112 C116 Y117 Y118 F270 L276 | I110-L114 HydrophobicContact CG2-CD1 3.52Å; I110-L114 WeakPolarHBondContact O-CD1 3.42Å; I110-L114 PolarHBondContact O-N 3.41Å; N111-L114 PolarHBondContact O-N 2.94Å; F112-L114 PolarHBondContact O-N 3.11Å; L114-C116 PolarHBondContact O-N 3.35Å; L114-Y117 HydrophobicContact CB-CE1 4.28Å; L114-Y117 HydrophobicContact CG-CE1 4Å; L114-Y117 PolarHBondContact O-N 3.35Å; L114-Y118 WeakPolarHBondContact O-CB 3.48Å; L114-Y118 PolarHBondContact O-N 2.92Å; L114-F270 HydrophobicContact CD2-CE1 4.31Å; L114-L276 HydrophobicContact CD1-CD2 3.99Å; L114-L276 HydrophobicContact CD2-CD1 3.91Å; L114-L276 HydrophobicContact CD2-CD2 4.15Å |
| 115 | N | 92.2 | Very high | 94.4 | Very high | 7 Ų | 7 | 11.4 Ų | 11.4 | 4% | 0.037 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -60.1 | -34.5 | 176.9 | -73.4 | -56.7 | 0 | 0 | 0 | 112.1 | N111 F112 F113 T119 G363 | N111-N115 PolarHBondContact O-N 3.41Å; N111-N115 PolarHBondContact O-ND2 3.46Å; N111-N115 PolarHBondContact OD1-ND2 3.45Å; N111-N115 VanDerWaalsContact OD1-ND2 3.08Å; F112-N115 PolarHBondContact O-N 2.69Å; F113-N115 VanDerWaalsContact C-N 3.35Å; F113-N115 PolarHBondContact O-N 3.03Å; N115-T119 WeakPolarHBondContact O-CG2 3.39Å; N115-G363 VanDerWaalsContact ND2-C 3.28Å; N115-G363 PolarHBondContact ND2-O 3.22Å; N115-G363 WeakPolarHBondContact OD1-CA 3.42Å |
| 116 | C | 93.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62.4 | -48.5 | 178.3 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | F112 F113 L114 T119 V399 M403 F415 | F112-C116 PolarHBondContact O-N 2.86Å; F112-C116 VanDerWaalsContact O-N 3.09Å; F112-C116 PolarHBondContact O-SG 2.76Å; F113-C116 WeakPolarHBondContact O-CB 3.45Å; F113-C116 PolarHBondContact O-N 3.17Å; F113-C116 VanDerWaalsContact O-N 3.14Å; L114-C116 PolarHBondContact O-N 3.35Å; C116-T119 PolarHBondContact O-OG1 3.27Å; C116-V399 HydrophobicContact CB-CB 4.35Å; C116-V399 HydrophobicContact CB-CG1 3.85Å; C116-M403 HydrophobicContact CB-CE 4.03Å; C116-F415 HydrophobicContact CB-CD1 4.28Å; C116-F415 HydrophobicContact CB-CE1 4Å |
| 117 | Y | 93.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -90.5 | -26.2 | -174.2 | 82.3 | -94.1 | 0 | 0 | 0 | 113.9 | F113 L114 T119 V120 I121 M403 F412 F415 D416 | F113-Y117 VanDerWaalsContact O-CD1 3.31Å; F113-Y117 WeakPolarHBondContact O-CD1 3.24Å; F113-Y117 PolarHBondContact O-N 3.09Å; L114-Y117 HydrophobicContact CB-CE1 4.28Å; L114-Y117 HydrophobicContact CG-CE1 4Å; L114-Y117 PolarHBondContact O-N 3.35Å; Y117-T119 PolarHBondContact O-N 3.3Å; Y117-V120 WeakPolarHBondContact O-CB 3.44Å; Y117-V120 PolarHBondContact O-N 3.14Å; Y117-V120 VanDerWaalsContact O-N 3.1Å; Y117-I121 HydrophobicContact CD2-CD1 4.5Å; Y117-M403 VanDerWaalsContact CB-SD 3.51Å; Y117-F412 HydrophobicContact CD2-CD2 4.28Å; Y117-F412 AromaticContact CD2-CE2 3.56Å; Y117-F412 HydrophobicContact CD2-CE2 3.56Å; Y117-F412 AromaticContact CD2-CZ 3.68Å; Y117-F412 HydrophobicContact CD2-CZ 3.68Å; Y117-F412 HydrophobicContact CE2-CZ 4.23Å; Y117-F412 HydrophobicContact CG-CE2 4.3Å; Y117-F415 HydrophobicContact CD1-CB 3.96Å; Y117-F415 HydrophobicContact CG-CB 4.14Å; Y117-D416 HydrophobicContact CD2-CB 4.32Å; Y117-D416 HydrophobicContact CE2-CB 3.93Å; Y117-D416 PolarHBondContact OH-OD1 3.29Å |
| 118 | Y | 91 | Very high | 94.5 | Very high | 27 Ų | 27 | 8.9 Ų | 8.9 | 11% | 0.106 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -63.4 | -30.5 | 176.9 | -86.6 | -163.6 | 0 | 0 | 0 | 113.1 | L114 V120 I121 M122 | L114-Y118 WeakPolarHBondContact O-CB 3.48Å; L114-Y118 PolarHBondContact O-N 2.92Å; Y118-V120 VanDerWaalsContact C-N 3.27Å; Y118-V120 PolarHBondContact O-N 3.21Å; Y118-I121 HydrophobicContact CD2-CD1 3.68Å; Y118-I121 HydrophobicContact CE2-CD1 4.21Å; Y118-I121 HydrophobicContact CG-CD1 4.29Å; Y118-I121 WeakPolarHBondContact O-CB 3.49Å; Y118-I121 PolarHBondContact O-N 3.24Å; Y118-M122 PolarHBondContact O-N 3.34Å |
| 119 | T | 91.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -60.8 | -37 | 173.7 | 60.1 | 0 | 0 | 0 | 0 | 112.8 | N115 C116 Y117 I121 M122 A123 L210 W214 M360 | N115-T119 WeakPolarHBondContact O-CG2 3.39Å; C116-T119 PolarHBondContact O-OG1 3.27Å; Y117-T119 PolarHBondContact O-N 3.3Å; T119-I121 VanDerWaalsContact C-N 3.27Å; T119-I121 PolarHBondContact O-N 2.89Å; T119-M122 WeakPolarHBondContact O-CB 3.27Å; T119-M122 PolarHBondContact O-N 3.25Å; T119-M122 VanDerWaalsContact O-N 3.14Å; T119-A123 PolarHBondContact O-N 3.5Å; T119-L210 VanDerWaalsContact OG1-CD1 3.27Å; T119-L210 WeakPolarHBondContact OG1-CD1 3.46Å; T119-W214 HydrophobicContact CG2-CH2 3.89Å; T119-W214 HydrophobicContact CG2-CZ2 3.24Å; T119-M360 HydrophobicContact CG2-CE 3.03Å; T119-M360 HydrophobicContact CG2-SD 3.16Å; T119-M360 WeakPolarHBondContact CG2-SD 3.28Å |
| 120 | V | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66.6 | -36.3 | -176.9 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | Y117 Y118 M122 A123 W124 L210 M403 V404 F412 | Y117-V120 WeakPolarHBondContact O-CB 3.44Å; Y117-V120 PolarHBondContact O-N 3.14Å; Y117-V120 VanDerWaalsContact O-N 3.1Å; Y118-V120 VanDerWaalsContact C-N 3.27Å; Y118-V120 PolarHBondContact O-N 3.21Å; V120-M122 VanDerWaalsContact C-N 3.3Å; V120-M122 PolarHBondContact O-N 3.38Å; V120-A123 WeakPolarHBondContact O-CB 3.49Å; V120-A123 PolarHBondContact O-N 3.08Å; V120-A123 VanDerWaalsContact O-N 3.17Å; V120-W124 HydrophobicContact CG1-CD2 4.25Å; V120-W124 HydrophobicContact CG1-CH2 4.08Å; V120-W124 HydrophobicContact CG1-CZ2 3.52Å; V120-W124 PolarHBondContact O-N 3.33Å; V120-L210 HydrophobicContact CG2-CD1 4.49Å; V120-M403 HydrophobicContact CB-CB 4.48Å; V120-M403 HydrophobicContact CG1-CB 4.08Å; V120-M403 HydrophobicContact CG2-CB 3.71Å; V120-M403 HydrophobicContact CG2-CG 4.43Å; V120-M403 HydrophobicContact CG2-SD 3.97Å; V120-V404 HydrophobicContact CG1-CG1 3.96Å; V120-F412 HydrophobicContact CB-CD2 4.19Å; V120-F412 HydrophobicContact CB-CE2 4.4Å; V120-F412 HydrophobicContact CG1-CD2 4.18Å |
| 121 | I | 94.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.7 | -43.7 | 174.3 | -49.6 | 169.6 | 0 | 0 | 0 | 110.7 | L42 W46 Y117 Y118 T119 W124 A125 F328 I352 F412 | L42-I121 HydrophobicContact CD1-CB 4.02Å; L42-I121 HydrophobicContact CD1-CD1 3.89Å; L42-I121 HydrophobicContact CD1-CG2 3.94Å; W46-I121 HydrophobicContact CE3-CG2 4.29Å; W46-I121 HydrophobicContact CH2-CB 4.21Å; W46-I121 HydrophobicContact CH2-CD1 3.1Å; W46-I121 HydrophobicContact CH2-CG1 3.4Å; W46-I121 HydrophobicContact CH2-CG2 3.75Å; W46-I121 HydrophobicContact CZ2-CD1 3.2Å; W46-I121 HydrophobicContact CZ2-CG1 4.06Å; W46-I121 HydrophobicContact CZ3-CB 4.45Å; W46-I121 HydrophobicContact CZ3-CD1 4.06Å; W46-I121 HydrophobicContact CZ3-CG1 4.08Å; W46-I121 HydrophobicContact CZ3-CG2 3.56Å; Y117-I121 HydrophobicContact CD2-CD1 4.5Å; Y118-I121 HydrophobicContact CD2-CD1 3.68Å; Y118-I121 HydrophobicContact CE2-CD1 4.21Å; Y118-I121 HydrophobicContact CG-CD1 4.29Å; Y118-I121 WeakPolarHBondContact O-CB 3.49Å; Y118-I121 PolarHBondContact O-N 3.24Å; T119-I121 VanDerWaalsContact C-N 3.27Å; T119-I121 PolarHBondContact O-N 2.89Å; I121-W124 HydrophobicContact CB-CE3 4.48Å; I121-W124 HydrophobicContact CG1-CZ3 4.36Å; I121-W124 PolarHBondContact O-N 3.38Å; I121-A125 PolarHBondContact O-N 2.76Å; I121-F328 HydrophobicContact CG2-CE2 3.93Å; I121-F328 HydrophobicContact CG2-CZ 3.95Å; I121-F328 WeakPolarHBondContact O-CZ 3.06Å; I121-I352 HydrophobicContact CG2-CG2 4.48Å; I121-F412 HydrophobicContact CD1-CE2 4.43Å; I121-F412 HydrophobicContact CD1-CZ 4.29Å; I121-F412 HydrophobicContact CG1-CE2 3.78Å; I121-F412 HydrophobicContact CG1-CZ 3.95Å |
| 122 | M | 92.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -69.5 | -36.3 | 176.6 | -71.8 | -166.6 | -83.3 | 0 | 0 | 112.4 | Y118 T119 V120 W124 A125 F126 T213 I353 G356 I357 M360 | Y118-M122 PolarHBondContact O-N 3.34Å; T119-M122 WeakPolarHBondContact O-CB 3.27Å; T119-M122 PolarHBondContact O-N 3.25Å; T119-M122 VanDerWaalsContact O-N 3.14Å; V120-M122 VanDerWaalsContact C-N 3.3Å; V120-M122 PolarHBondContact O-N 3.38Å; M122-W124 VanDerWaalsContact C-N 3.3Å; M122-W124 PolarHBondContact O-N 3.39Å; M122-A125 CarbonylContact O-C 3.58Å; M122-A125 WeakPolarHBondContact O-CB 3.09Å; M122-A125 PolarHBondContact O-N 3.39Å; M122-A125 VanDerWaalsContact O-N 3.09Å; M122-F126 VanDerWaalsContact O-CD2 3.24Å; M122-F126 WeakPolarHBondContact O-CD2 3.38Å; M122-F126 PolarHBondContact O-N 2.96Å; M122-T213 HydrophobicContact CB-CG2 3.73Å; M122-T213 HydrophobicContact CE-CG2 3.32Å; M122-T213 HydrophobicContact CG-CG2 4.41Å; M122-T213 HydrophobicContact SD-CG2 3.88Å; M122-I353 HydrophobicContact SD-CG2 4.5Å; M122-I353 VanDerWaalsContact SD-O 3.4Å; M122-G356 VanDerWaalsContact SD-CA 3.53Å; M122-I357 HydrophobicContact SD-CG1 3.69Å; M122-I357 PolarHBondContact SD-N 2.61Å; M122-M360 HydrophobicContact CE-CB 4.09Å; M122-M360 HydrophobicContact CE-CG 3.31Å; M122-M360 HydrophobicContact CE-SD 3.02Å; M122-M360 WeakPolarHBondContact CE-SD 3.45Å |
| 123 | A | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.8 | -44.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T119 V120 F126 H127 C209 L210 | T119-A123 PolarHBondContact O-N 3.5Å; V120-A123 WeakPolarHBondContact O-CB 3.49Å; V120-A123 PolarHBondContact O-N 3.08Å; V120-A123 VanDerWaalsContact O-N 3.17Å; A123-F126 PolarHBondContact O-N 3.22Å; A123-H127 PolarHBondContact O-N 3.21Å; A123-C209 HydrophobicContact CB-CB 4Å; A123-C209 VanDerWaalsContact O-CB 3.27Å; A123-C209 WeakPolarHBondContact O-CB 3.27Å; A123-L210 HydrophobicContact CB-CB 3.88Å; A123-L210 HydrophobicContact CB-CD1 4.29Å |
| 124 | W | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 172.4 | -59.6 | -33.9 | 0 | 0 | 0 | 111.7 | V120 I121 M122 F126 H127 Y128 W185 L190 P324 F328 M409 F412 | V120-W124 HydrophobicContact CG1-CD2 4.25Å; V120-W124 HydrophobicContact CG1-CH2 4.08Å; V120-W124 HydrophobicContact CG1-CZ2 3.52Å; V120-W124 PolarHBondContact O-N 3.33Å; I121-W124 HydrophobicContact CB-CE3 4.48Å; I121-W124 HydrophobicContact CG1-CZ3 4.36Å; I121-W124 PolarHBondContact O-N 3.38Å; M122-W124 VanDerWaalsContact C-N 3.3Å; M122-W124 PolarHBondContact O-N 3.39Å; W124-F126 PolarHBondContact O-N 3.41Å; W124-H127 WeakPolarHBondContact O-CB 3.44Å; W124-H127 PolarHBondContact O-N 2.86Å; W124-Y128 WeakPolarHBondContact O-CD2 3.49Å; W124-Y128 PolarHBondContact O-N 3.32Å; W124-W185 HydrophobicContact CB-CH2 4.32Å; W124-W185 HydrophobicContact CB-CZ3 4.13Å; W124-W185 AromaticContact CD2-CH2 3.54Å; W124-W185 HydrophobicContact CD2-CH2 3.54Å; W124-W185 HydrophobicContact CD2-CZ3 4.2Å; W124-W185 AromaticContact CE2-CH2 3.93Å; W124-W185 AromaticContact CE3-CH2 3.63Å; W124-W185 HydrophobicContact CE3-CH2 3.63Å; W124-W185 HydrophobicContact CE3-CZ2 4.46Å; W124-W185 AromaticContact CG-CH2 3.86Å; W124-W185 HydrophobicContact CG-CH2 3.86Å; W124-W185 HydrophobicContact CG-CZ3 4.02Å; W124-W185 HydrophobicContact CH2-CH2 4.45Å; W124-W185 HydrophobicContact CZ2-CH2 4.38Å; W124-W185 HydrophobicContact CZ3-CH2 4.11Å; W124-L190 HydrophobicContact CZ2-CD2 4.18Å; W124-P324 HydrophobicContact CH2-CG 4.4Å; W124-P324 HydrophobicContact CZ3-CB 4.02Å; W124-P324 HydrophobicContact CZ3-CG 3.92Å; W124-F328 HydrophobicContact CB-CD1 4.17Å; W124-F328 HydrophobicContact CB-CE1 3.62Å; W124-F328 HydrophobicContact CB-CE2 4.29Å; W124-F328 HydrophobicContact CB-CZ 3.69Å; W124-F328 HydrophobicContact CE3-CD2 4.23Å; W124-F328 AromaticContact CE3-CE2 3.77Å; W124-F328 HydrophobicContact CE3-CE2 3.77Å; W124-F328 HydrophobicContact CE3-CZ 4.23Å; W124-M409 HydrophobicContact CH2-CE 4.22Å; W124-M409 HydrophobicContact CH2-SD 3.74Å; W124-M409 HydrophobicContact CZ2-SD 3.92Å; W124-F412 HydrophobicContact CH2-CB 4.41Å; W124-F412 AromaticContact CH2-CD1 3.97Å; W124-F412 HydrophobicContact CH2-CD1 3.97Å; W124-F412 AromaticContact CH2-CD2 3.49Å; W124-F412 HydrophobicContact CH2-CD2 3.49Å; W124-F412 VanDerWaalsContact CH2-CD2 3.49Å; W124-F412 HydrophobicContact CH2-CE1 4.13Å; W124-F412 AromaticContact CH2-CE2 3.62Å; W124-F412 HydrophobicContact CH2-CE2 3.62Å; W124-F412 AromaticContact CH2-CG 3.68Å; W124-F412 HydrophobicContact CH2-CG 3.68Å; W124-F412 AromaticContact CH2-CZ 3.97Å; W124-F412 HydrophobicContact CH2-CZ 3.97Å; W124-F412 HydrophobicContact CZ2-CD2 4.22Å; W124-F412 HydrophobicContact CZ2-CG 4.43Å; W124-F412 HydrophobicContact CZ3-CD2 4.13Å; W124-F412 HydrophobicContact CZ3-CE1 4.32Å; W124-F412 AromaticContact CZ3-CE2 3.76Å; W124-F412 HydrophobicContact CZ3-CE2 3.76Å; W124-F412 AromaticContact CZ3-CZ 3.9Å; W124-F412 HydrophobicContact CZ3-CZ 3.9Å |
| 125 | A | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.5 | -41.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I121 M122 Y128 I129 F328 F349 I352 I353 | I121-A125 PolarHBondContact O-N 2.76Å; M122-A125 CarbonylContact O-C 3.58Å; M122-A125 WeakPolarHBondContact O-CB 3.09Å; M122-A125 PolarHBondContact O-N 3.39Å; M122-A125 VanDerWaalsContact O-N 3.09Å; A125-Y128 PolarHBondContact O-N 2.66Å; A125-I129 WeakPolarHBondContact O-CG1 3.43Å; A125-I129 PolarHBondContact O-N 3.01Å; A125-F328 HydrophobicContact CB-CE1 4.25Å; A125-F328 HydrophobicContact CB-CZ 4.42Å; A125-F349 HydrophobicContact CB-CD1 4.12Å; A125-I352 HydrophobicContact CB-CB 4.19Å; A125-I352 HydrophobicContact CB-CG2 3.61Å; A125-I353 HydrophobicContact CB-CD1 4.14Å; A125-I353 HydrophobicContact CB-CG1 3.57Å |
| 126 | F | 95.3 | Very high | 94.7 | Very high | 12 Ų | 12 | 29.9 Ų | 29.9 | 5% | 0.053 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | 172.7 | -84.6 | -65.2 | 0 | 0 | 0 | 112 | M122 A123 W124 Y128 I129 F130 C209 L212 T213 M216 I353 | M122-F126 VanDerWaalsContact O-CD2 3.24Å; M122-F126 WeakPolarHBondContact O-CD2 3.38Å; M122-F126 PolarHBondContact O-N 2.96Å; A123-F126 PolarHBondContact O-N 3.22Å; W124-F126 PolarHBondContact O-N 3.41Å; F126-Y128 VanDerWaalsContact C-N 3.26Å; F126-Y128 PolarHBondContact O-N 3.47Å; F126-I129 WeakPolarHBondContact O-CB 3.2Å; F126-I129 PolarHBondContact O-N 2.7Å; F126-I129 VanDerWaalsContact O-N 3.09Å; F126-F130 HydrophobicContact CB-CE2 4.07Å; F126-F130 HydrophobicContact CD1-CE2 4.47Å; F126-F130 HydrophobicContact CD1-CZ 4.24Å; F126-F130 WeakPolarHBondContact O-CD2 3.33Å; F126-F130 WeakPolarHBondContact O-CG 3.48Å; F126-F130 PolarHBondContact O-N 2.94Å; F126-C209 HydrophobicContact CB-CB 3.88Å; F126-L212 HydrophobicContact CD1-CD2 3.58Å; F126-L212 HydrophobicContact CD1-CG 4.41Å; F126-L212 HydrophobicContact CD2-CD2 4.44Å; F126-L212 HydrophobicContact CE1-CD2 3.54Å; F126-L212 HydrophobicContact CE1-CG 4.03Å; F126-L212 HydrophobicContact CE2-CD2 4.42Å; F126-L212 HydrophobicContact CE2-CG 4.27Å; F126-L212 HydrophobicContact CG-CD2 4.05Å; F126-L212 HydrophobicContact CZ-CD2 3.96Å; F126-L212 HydrophobicContact CZ-CG 3.93Å; F126-T213 WeakPolarHBondContact CD2-OG1 3.45Å; F126-T213 WeakPolarHBondContact CE2-OG1 3.49Å; F126-M216 HydrophobicContact CE1-CE 4.08Å; F126-M216 HydrophobicContact CE1-SD 3.97Å; F126-M216 HydrophobicContact CZ-CE 3.5Å; F126-M216 VanDerWaalsContact CZ-CE 3.5Å; F126-M216 HydrophobicContact CZ-SD 3.68Å; F126-I353 HydrophobicContact CB-CD1 4.36Å; F126-I353 HydrophobicContact CD1-CD1 3.46Å; F126-I353 VanDerWaalsContact CD1-CD1 3.46Å; F126-I353 HydrophobicContact CD2-CD1 3.88Å; F126-I353 HydrophobicContact CD2-CG1 4.45Å; F126-I353 HydrophobicContact CE1-CD1 3.61Å; F126-I353 HydrophobicContact CE1-CG2 4.47Å; F126-I353 HydrophobicContact CE2-CD1 3.99Å; F126-I353 HydrophobicContact CE2-CG1 4.45Å; F126-I353 HydrophobicContact CE2-CG2 4.16Å; F126-I353 HydrophobicContact CG-CD1 3.61Å; F126-I353 HydrophobicContact CZ-CD1 3.88Å; F126-I353 HydrophobicContact CZ-CG2 3.93Å |
| 127 | H | 97.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 3% | 0.032 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.8 | -42.6 | 176.7 | -178 | -73.5 | 0 | 0 | 0 | 111.5 | A123 W124 S131 Y184 D205 L206 | A123-H127 PolarHBondContact O-N 3.21Å; W124-H127 WeakPolarHBondContact O-CB 3.44Å; W124-H127 PolarHBondContact O-N 2.86Å; H127-S131 WeakPolarHBondContact O-CB 3.35Å; H127-S131 PolarHBondContact O-N 3.48Å; H127-S131 PolarHBondContact O-OG 2.79Å; H127-Y184 PolarHBondContact CE1-OH 2.98Å; H127-Y184 VanDerWaalsContact CE1-OH 3.26Å; H127-Y184 PolarHBondContact ND1-OH 3.4Å; H127-D205 IonicContact CD2-OD2 3.77Å; H127-D205 IonicContact NE2-OD2 3.66Å; H127-L206 HydrophobicContact CB-CD2 3.86Å |
| 128 | Y | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.5 | -37 | 174.9 | -85.6 | -104.4 | 0 | 0 | 0 | 113.3 | W124 A125 F126 S131 S132 W139 Y184 W185 V189 F328 P332 F349 | W124-Y128 WeakPolarHBondContact O-CD2 3.49Å; W124-Y128 PolarHBondContact O-N 3.32Å; A125-Y128 PolarHBondContact O-N 2.66Å; F126-Y128 VanDerWaalsContact C-N 3.26Å; F126-Y128 PolarHBondContact O-N 3.47Å; Y128-S131 CarbonylContact O-C 3.6Å; Y128-S131 PolarHBondContact O-N 3.26Å; Y128-S132 WeakPolarHBondContact O-CB 3.45Å; Y128-S132 PolarHBondContact O-N 3.36Å; Y128-S132 PolarHBondContact O-OG 3.1Å; Y128-W139 HydrophobicContact CD1-CD2 4.38Å; Y128-W139 AromaticContact CD1-CE3 3.89Å; Y128-W139 HydrophobicContact CD1-CE3 3.89Å; Y128-W139 AromaticContact CD1-CH2 3.56Å; Y128-W139 HydrophobicContact CD1-CH2 3.56Å; Y128-W139 HydrophobicContact CD1-CZ2 4.06Å; Y128-W139 AromaticContact CD1-CZ3 3.47Å; Y128-W139 HydrophobicContact CD1-CZ3 3.47Å; Y128-W139 VanDerWaalsContact CD1-CZ3 3.47Å; Y128-W139 HydrophobicContact CE1-CD2 4.21Å; Y128-W139 AromaticContact CE1-CE3 3.95Å; Y128-W139 HydrophobicContact CE1-CE3 3.95Å; Y128-W139 HydrophobicContact CE1-CH2 4.33Å; Y128-W139 HydrophobicContact CE1-CZ3 4.02Å; Y128-W139 HydrophobicContact CG-CH2 4.42Å; Y128-W139 HydrophobicContact CG-CZ3 4.28Å; Y128-Y184 AromaticContact CD1-CE1 4Å; Y128-Y184 HydrophobicContact CD1-CE1 4Å; Y128-Y184 HydrophobicContact CD2-CE1 4.36Å; Y128-Y184 AromaticContact CE1-CD1 3.89Å; Y128-Y184 HydrophobicContact CE1-CD1 3.89Å; Y128-Y184 AromaticContact CE1-CE1 3.54Å; Y128-Y184 HydrophobicContact CE1-CE1 3.54Å; Y128-Y184 HydrophobicContact CE2-CD1 4.49Å; Y128-Y184 AromaticContact CE2-CE1 3.92Å; Y128-Y184 HydrophobicContact CE2-CE1 3.92Å; Y128-Y184 HydrophobicContact CG-CE1 4.42Å; Y128-Y184 AromaticContact CZ-CD1 3.75Å; Y128-Y184 AromaticContact CZ-CE1 3.5Å; Y128-Y184 VanDerWaalsContact CZ-CE1 3.5Å; Y128-W185 AromaticContact CE2-CE3 3.85Å; Y128-W185 HydrophobicContact CE2-CE3 3.85Å; Y128-W185 AromaticContact CE2-CZ3 4Å; Y128-W185 HydrophobicContact CE2-CZ3 4Å; Y128-V189 HydrophobicContact CD2-CG2 4.49Å; Y128-V189 HydrophobicContact CE2-CG1 4.37Å; Y128-V189 HydrophobicContact CE2-CG2 3.77Å; Y128-F328 AromaticContact CD2-CD1 3.81Å; Y128-F328 HydrophobicContact CD2-CD1 3.81Å; Y128-F328 HydrophobicContact CD2-CE1 4.32Å; Y128-F328 HydrophobicContact CE2-CB 4.21Å; Y128-F328 AromaticContact CE2-CD1 3.64Å; Y128-F328 HydrophobicContact CE2-CD1 3.64Å; Y128-F328 HydrophobicContact CE2-CG 4.35Å; Y128-F328 HydrophobicContact CG-CD1 4.47Å; Y128-F328 PolarHBondContact OH-O 3.05Å; Y128-P332 HydrophobicContact CD1-CB 4.39Å; Y128-P332 HydrophobicContact CD1-CG 4.23Å; Y128-P332 HydrophobicContact CE1-CB 3.86Å; Y128-P332 HydrophobicContact CE1-CG 3.73Å; Y128-F349 VanDerWaalsContact CB-CE2 3.4Å; Y128-F349 VanDerWaalsContact CB-CZ 3.41Å; Y128-F349 HydrophobicContact CD1-CD2 4.42Å; Y128-F349 AromaticContact CD1-CE1 3.94Å; Y128-F349 HydrophobicContact CD1-CE1 3.94Å; Y128-F349 AromaticContact CD1-CE2 3.42Å; Y128-F349 HydrophobicContact CD1-CE2 3.42Å; Y128-F349 VanDerWaalsContact CD1-CE2 3.42Å; Y128-F349 AromaticContact CD1-CZ 3.08Å; Y128-F349 HydrophobicContact CD1-CZ 3.08Å; Y128-F349 HydrophobicContact CD2-CE1 4.3Å; Y128-F349 HydrophobicContact CD2-CZ 4.23Å; Y128-F349 HydrophobicContact CE1-CE2 4.41Å; Y128-F349 AromaticContact CE1-CZ 3.8Å; Y128-F349 HydrophobicContact CE1-CZ 3.8Å; Y128-F349 HydrophobicContact CG-CD1 4.37Å; Y128-F349 HydrophobicContact CG-CD2 4.37Å; Y128-F349 AromaticContact CG-CE1 3.71Å; Y128-F349 HydrophobicContact CG-CE1 3.71Å; Y128-F349 AromaticContact CG-CE2 3.73Å; Y128-F349 HydrophobicContact CG-CE2 3.73Å; Y128-F349 AromaticContact CG-CZ 3.32Å; Y128-F349 HydrophobicContact CG-CZ 3.32Å |
| 129 | I | 95.2 | Very high | 95 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 8% | 0.082 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.2 | -51.8 | 172.6 | -73.1 | -179 | 0 | 0 | 0 | 110.4 | A125 F126 S131 S132 F133 F349 I350 I353 | A125-I129 WeakPolarHBondContact O-CG1 3.43Å; A125-I129 PolarHBondContact O-N 3.01Å; F126-I129 WeakPolarHBondContact O-CB 3.2Å; F126-I129 PolarHBondContact O-N 2.7Å; F126-I129 VanDerWaalsContact O-N 3.09Å; I129-S131 PolarHBondContact O-N 2.87Å; I129-S132 WeakPolarHBondContact O-CB 3.48Å; I129-S132 PolarHBondContact O-N 3.4Å; I129-F133 HydrophobicContact CG2-CE2 3.75Å; I129-F133 VanDerWaalsContact O-CD2 3.23Å; I129-F133 WeakPolarHBondContact O-CD2 3.42Å; I129-F349 HydrophobicContact CD1-CB 4.08Å; I129-F349 HydrophobicContact CG1-CB 3.41Å; I129-F349 VanDerWaalsContact CG1-CB 3.41Å; I129-I350 HydrophobicContact CD1-CG1 3.73Å; I129-I353 HydrophobicContact CD1-CD1 3.27Å; I129-I353 HydrophobicContact CD1-CG1 4.39Å; I129-I353 HydrophobicContact CG1-CD1 4.3Å |
| 130 | F | 96.6 | Very high | 95.1 | Very high | 108 Ų | 108 | 31 Ų | 31 | 47% | 0.474 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.1 | -38.3 | -179.4 | -62.7 | -42.3 | 0 | 0 | 0 | 111.8 | F126 S132 F133 L212 | F126-F130 HydrophobicContact CB-CE2 4.07Å; F126-F130 HydrophobicContact CD1-CE2 4.47Å; F126-F130 HydrophobicContact CD1-CZ 4.24Å; F126-F130 WeakPolarHBondContact O-CD2 3.33Å; F126-F130 WeakPolarHBondContact O-CG 3.48Å; F126-F130 PolarHBondContact O-N 2.94Å; F130-S132 VanDerWaalsContact C-N 3.25Å; F130-S132 PolarHBondContact O-N 3.48Å; F130-F133 PolarHBondContact O-N 2.88Å; F130-L212 HydrophobicContact CE2-CD2 4.14Å; F130-L212 HydrophobicContact CZ-CD2 3.61Å |
| 131 | S | 96.7 | Very high | 94.9 | Very high | 24 Ų | 24 | 34.2 Ų | 34.2 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74.1 | -15.4 | 177.3 | -58.2 | 0 | 0 | 0 | 0 | 113.8 | H127 Y128 I129 T134 P138 Y184 | H127-S131 WeakPolarHBondContact O-CB 3.35Å; H127-S131 PolarHBondContact O-N 3.48Å; H127-S131 PolarHBondContact O-OG 2.79Å; Y128-S131 CarbonylContact O-C 3.6Å; Y128-S131 PolarHBondContact O-N 3.26Å; I129-S131 PolarHBondContact O-N 2.87Å; S131-T134 PolarHBondContact O-OG1 3.42Å; S131-T134 VanDerWaalsContact O-OG1 3.12Å; S131-P138 VanDerWaalsContact O-CD 3.3Å; S131-P138 WeakPolarHBondContact O-CD 3.43Å; S131-Y184 WeakPolarHBondContact CB-OH 3.49Å; S131-Y184 PolarHBondContact OG-OH 2.95Å |
| 132 | S | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -81.5 | -12.2 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | Y128 I129 F130 T134 W139 S345 | Y128-S132 WeakPolarHBondContact O-CB 3.45Å; Y128-S132 PolarHBondContact O-N 3.36Å; Y128-S132 PolarHBondContact O-OG 3.1Å; I129-S132 WeakPolarHBondContact O-CB 3.48Å; I129-S132 PolarHBondContact O-N 3.4Å; F130-S132 VanDerWaalsContact C-N 3.25Å; F130-S132 PolarHBondContact O-N 3.48Å; S132-T134 PolarHBondContact O-N 2.91Å; S132-W139 WeakPolarHBondContact OG-CH2 3.46Å; S132-S345 WeakPolarHBondContact OG-CB 3.47Å; S132-S345 PolarHBondContact OG-OG 3.42Å |
| 133 | F | 95.3 | Very high | 94.7 | Very high | 143 Ų | 143 | 41.1 Ų | 41.1 | 63% | 0.627 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -78.7 | 56.5 | 175.3 | -69.8 | -79 | 0 | 0 | 0 | 111.7 | I129 F130 I346 | I129-F133 HydrophobicContact CG2-CE2 3.75Å; I129-F133 VanDerWaalsContact O-CD2 3.23Å; I129-F133 WeakPolarHBondContact O-CD2 3.42Å; F130-F133 PolarHBondContact O-N 2.88Å; F133-I346 HydrophobicContact CD1-CD1 4.17Å; F133-I346 HydrophobicContact CE1-CD1 3.92Å; F133-I346 HydrophobicContact CZ-CD1 4.19Å |
| 134 | T | 93.1 | Very high | 94.6 | Very high | 61 Ų | 61 | 44 Ų | 44 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -138.3 | 157.2 | -177.4 | 51.2 | 0 | 0 | 0 | 0 | 109.6 | S131 S132 Q136 P342 | S131-T134 PolarHBondContact O-OG1 3.42Å; S131-T134 VanDerWaalsContact O-OG1 3.12Å; S132-T134 PolarHBondContact O-N 2.91Å; T134-Q136 VanDerWaalsContact C-N 3.34Å; T134-Q136 WeakPolarHBondContact CB-O 3.28Å; T134-Q136 PolarHBondContact OG1-O 3.45Å; T134-Q136 VanDerWaalsContact OG1-O 3.04Å; T134-P342 VanDerWaalsContact O-CG 3.25Å; T134-P342 WeakPolarHBondContact O-CG 3.49Å |
| 135 | S | 90.6 | Very high | 94.5 | Very high | 118 Ų | 118 | 49.8 Ų | 49.8 | 83% | 0.825 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -70.9 | -32.4 | 176.6 | 56 | 0 | 0 | 0 | 0 | 112.5 | ||
| 136 | Q | 92.1 | Very high | 94.4 | Very high | 108 Ų | 108 | 51.9 Ų | 51.9 | 51% | 0.505 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -131.1 | 133.6 | 171.3 | -66.6 | -171.1 | -2.7 | 0 | 0 | 108.4 | T134 | T134-Q136 VanDerWaalsContact C-N 3.34Å; T134-Q136 WeakPolarHBondContact CB-O 3.28Å; T134-Q136 PolarHBondContact OG1-O 3.45Å; T134-Q136 VanDerWaalsContact OG1-O 3.04Å |
| 137 | L | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -63.7 | 138.5 | -176.9 | -67.2 | 172.3 | 0 | 0 | 0 | 111.2 | W139 T140 I335 P342 | L137-W139 HydrophobicContact CB-CD2 4.13Å; L137-W139 HydrophobicContact CB-CZ2 4.06Å; L137-W139 HydrophobicContact CD1-CZ2 3.65Å; L137-W139 HydrophobicContact CD2-CH2 3.75Å; L137-W139 HydrophobicContact CD2-CZ2 3.59Å; L137-W139 HydrophobicContact CD2-CZ3 4.5Å; L137-W139 HydrophobicContact CG-CZ2 3.96Å; L137-W139 PolarHBondContact O-N 3.43Å; L137-T140 HydrophobicContact CB-CG2 3.93Å; L137-T140 PolarHBondContact O-N 2.89Å; L137-T140 VanDerWaalsContact O-N 3.1Å; L137-T140 PolarHBondContact O-OG1 3.04Å; L137-I335 HydrophobicContact CD1-CG2 4.35Å; L137-P342 HydrophobicContact CD2-CB 4.34Å; L137-P342 HydrophobicContact CD2-CG 4.33Å; L137-P342 HydrophobicContact CG-CG 4.31Å | ||
| 138 | P | 95.3 | Very high | 94.1 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -66.4 | -23.4 | -174.2 | 21.1 | -28.5 | 0 | 0 | 0 | 113.6 | S131 T140 R141 W146 Y184 | S131-P138 VanDerWaalsContact O-CD 3.3Å; S131-P138 WeakPolarHBondContact O-CD 3.43Å; P138-T140 VanDerWaalsContact C-N 3.35Å; P138-R141 WeakPolarHBondContact O-CG 3.4Å; P138-W146 HydrophobicContact CB-CH2 4.12Å; P138-W146 HydrophobicContact CB-CZ2 4.08Å; P138-Y184 HydrophobicContact CB-CD2 4.25Å; P138-Y184 HydrophobicContact CB-CE2 3.94Å; P138-Y184 HydrophobicContact CG-CD2 4.45Å; P138-Y184 HydrophobicContact CG-CE2 3.78Å |
| 139 | W | 94.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -85.4 | 2.7 | 176.7 | 53.7 | 87.3 | 0 | 0 | 0 | 114.7 | Y128 S132 L137 A180 T181 Y184 P332 S345 F349 | Y128-W139 HydrophobicContact CD1-CD2 4.38Å; Y128-W139 AromaticContact CD1-CE3 3.89Å; Y128-W139 HydrophobicContact CD1-CE3 3.89Å; Y128-W139 AromaticContact CD1-CH2 3.56Å; Y128-W139 HydrophobicContact CD1-CH2 3.56Å; Y128-W139 HydrophobicContact CD1-CZ2 4.06Å; Y128-W139 AromaticContact CD1-CZ3 3.47Å; Y128-W139 HydrophobicContact CD1-CZ3 3.47Å; Y128-W139 VanDerWaalsContact CD1-CZ3 3.47Å; Y128-W139 HydrophobicContact CE1-CD2 4.21Å; Y128-W139 AromaticContact CE1-CE3 3.95Å; Y128-W139 HydrophobicContact CE1-CE3 3.95Å; Y128-W139 HydrophobicContact CE1-CH2 4.33Å; Y128-W139 HydrophobicContact CE1-CZ3 4.02Å; Y128-W139 HydrophobicContact CG-CH2 4.42Å; Y128-W139 HydrophobicContact CG-CZ3 4.28Å; S132-W139 WeakPolarHBondContact OG-CH2 3.46Å; L137-W139 HydrophobicContact CB-CD2 4.13Å; L137-W139 HydrophobicContact CB-CZ2 4.06Å; L137-W139 HydrophobicContact CD1-CZ2 3.65Å; L137-W139 HydrophobicContact CD2-CH2 3.75Å; L137-W139 HydrophobicContact CD2-CZ2 3.59Å; L137-W139 HydrophobicContact CD2-CZ3 4.5Å; L137-W139 HydrophobicContact CG-CZ2 3.96Å; L137-W139 PolarHBondContact O-N 3.43Å; W139-A180 CarbonylContact O-C 3.54Å; W139-A180 VanDerWaalsContact O-CB 3.23Å; W139-A180 WeakPolarHBondContact O-CB 3.43Å; W139-T181 HydrophobicContact CB-CG2 4.08Å; W139-T181 HydrophobicContact CG-CG2 4.29Å; W139-T181 PolarHBondContact O-N 3.39Å; W139-T181 PolarHBondContact O-OG1 2.91Å; W139-Y184 HydrophobicContact CB-CD1 3.87Å; W139-Y184 HydrophobicContact CB-CD2 4.43Å; W139-Y184 HydrophobicContact CB-CG 3.74Å; W139-Y184 HydrophobicContact CD2-CD1 4.39Å; W139-Y184 HydrophobicContact CD2-CE1 4.39Å; W139-Y184 AromaticContact CE3-CD1 3.81Å; W139-Y184 HydrophobicContact CE3-CD1 3.81Å; W139-Y184 AromaticContact CE3-CE1 3.43Å; W139-Y184 HydrophobicContact CE3-CE1 3.43Å; W139-Y184 VanDerWaalsContact CE3-CE1 3.43Å; W139-Y184 HydrophobicContact CE3-CE2 4.27Å; W139-Y184 HydrophobicContact CE3-CG 4.36Å; W139-Y184 AromaticContact CE3-CZ 3.69Å; W139-Y184 HydrophobicContact CG-CD1 4.47Å; W139-Y184 AromaticContact CZ3-CE1 3.94Å; W139-Y184 HydrophobicContact CZ3-CE1 3.94Å; W139-P332 HydrophobicContact CD2-CB 4.34Å; W139-P332 HydrophobicContact CG-CB 4.38Å; W139-P332 HydrophobicContact CZ2-CB 4.23Å; W139-P332 PolarHBondContact NE1-O 3.33Å; W139-S345 WeakPolarHBondContact CH2-OG 3.18Å; W139-S345 VanDerWaalsContact CZ2-OG 3.23Å; W139-S345 WeakPolarHBondContact CZ2-OG 3.34Å; W139-F349 HydrophobicContact CH2-CE2 4.26Å; W139-F349 HydrophobicContact CZ2-CE2 4.29Å |
| 140 | T | 92.9 | Very high | 93.2 | Very high | 37 Ų | 37 | 59.1 Ų | 59.1 | 23% | 0.227 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -99.8 | 12.4 | 177.5 | 64.8 | 0 | 0 | 0 | 0 | 113.2 | L137 P138 V153 G336 | L137-T140 HydrophobicContact CB-CG2 3.93Å; L137-T140 PolarHBondContact O-N 2.89Å; L137-T140 VanDerWaalsContact O-N 3.1Å; L137-T140 PolarHBondContact O-OG1 3.04Å; P138-T140 VanDerWaalsContact C-N 3.35Å; T140-V153 WeakPolarHBondContact O-CG1 3.47Å; T140-G336 VanDerWaalsContact CG2-CA 3.48Å |
| 141 | R | 91.4 | Very high | 93 | Very high | 66 Ų | 66 | 54.3 Ų | 54.3 | 25% | 0.249 | 31% | 0.308 | C | S | . | . | trans | -148.1 | 157.8 | -169.6 | 48.6 | 170.2 | 52.6 | -167.3 | 4.9 | 111.4 | P138 D143 Q144 N147 A180 | P138-R141 WeakPolarHBondContact O-CG 3.4Å; R141-D143 VanDerWaalsContact CB-OD1 3.3Å; R141-D143 WeakPolarHBondContact CB-OD1 3.18Å; R141-D143 WeakPolarHBondContact CD-OD1 3.36Å; R141-D143 IonicContact NE-OD1 3.83Å; R141-D143 IonicContact NH1-OD1 3.99Å; R141-D143 IonicContact NH1-OD2 3.6Å; R141-Q144 VanDerWaalsContact CD-NE2 3.26Å; R141-Q144 HydrophobicContact CG-CG 4.45Å; R141-N147 PolarHBondContact O-OD1 2.69Å; R141-A180 WeakPolarHBondContact O-CB 3.28Å | ||
| 142 | C | 92.6 | Very high | 92.5 | Very high | 38 Ų | 38 | 58.9 Ų | 58.9 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -119.5 | 11.8 | -175.3 | -72.2 | 0 | 0 | 0 | 0 | 113.5 | Q144 N147 C151 R152 V153 | C142-Q144 VanDerWaalsContact C-N 3.35Å; C142-N147 VanDerWaalsContact CA-OD1 3.26Å; C142-N147 WeakPolarHBondContact CA-OD1 3.37Å; C142-N147 WeakPolarHBondContact O-CB 3.21Å; C142-N147 PolarHBondContact O-OD1 3.26Å; C142-C151 VanDerWaalsContact CA-SG 3.55Å; C142-C151 HydrophobicContact CB-CB 3.64Å; C142-C151 WeakPolarHBondContact CB-SG 3.49Å; C142-C151 WeakPolarHBondContact SG-CB 3.16Å; C142-C151 CovalentContact SG-SG 2.04Å; C142-C151 PolarHBondContact SG-SG 3.31Å; C142-R152 PolarHBondContact SG-N 2.63Å; C142-V153 HydrophobicContact CB-CG2 3.96Å |
| 143 | D | 91.2 | Very high | 91.8 | Very high | 110 Ų | 110 | 62 Ų | 62 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | trans | -94 | 17.2 | -176.5 | 62.8 | -32.3 | 0 | 0 | 0 | 113.2 | R141 | R141-D143 VanDerWaalsContact CB-OD1 3.3Å; R141-D143 WeakPolarHBondContact CB-OD1 3.18Å; R141-D143 WeakPolarHBondContact CD-OD1 3.36Å; R141-D143 IonicContact NE-OD1 3.83Å; R141-D143 IonicContact NH1-OD1 3.99Å; R141-D143 IonicContact NH1-OD2 3.6Å | ||
| 144 | Q | 93.1 | Very high | 90.5 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 29% | 0.285 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -101.2 | 161.6 | -173.3 | -55.6 | -75 | -2.4 | 0 | 0 | 112.5 | R141 C142 W146 N147 | R141-Q144 VanDerWaalsContact CD-NE2 3.26Å; R141-Q144 HydrophobicContact CG-CG 4.45Å; C142-Q144 VanDerWaalsContact C-N 3.35Å; Q144-W146 VanDerWaalsContact C-N 3.25Å; Q144-W146 HydrophobicContact CB-CD2 3.74Å; Q144-W146 HydrophobicContact CB-CE3 3.78Å; Q144-W146 HydrophobicContact CB-CH2 3.56Å; Q144-W146 HydrophobicContact CB-CZ2 3.5Å; Q144-W146 VanDerWaalsContact CB-CZ2 3.5Å; Q144-W146 HydrophobicContact CB-CZ3 3.7Å; Q144-W146 HydrophobicContact CG-CH2 3.53Å; Q144-W146 HydrophobicContact CG-CZ2 3.47Å; Q144-W146 VanDerWaalsContact CG-CZ2 3.47Å; Q144-W146 HydrophobicContact CG-CZ3 4.14Å; Q144-W146 PolarHBondContact O-N 3.41Å; Q144-N147 VanDerWaalsContact CB-OD1 3.23Å; Q144-N147 WeakPolarHBondContact CB-OD1 3.27Å; Q144-N147 PolarHBondContact N-OD1 3.42Å; Q144-N147 VanDerWaalsContact N-OD1 3.09Å; Q144-N147 WeakPolarHBondContact O-CB 3.42Å; Q144-N147 PolarHBondContact O-N 3.16Å |
| 145 | S | 94.3 | Very high | 88.7 | Confident | 120 Ų | 120 | 59.7 Ų | 59.7 | 84% | 0.839 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -25.4 | -175.7 | 57.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 146 | W | 94.3 | Very high | 86.7 | Confident | 45 Ų | 45 | 59.1 Ų | 59.1 | 17% | 0.17 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -10 | 177.5 | 61.1 | 85.6 | 0 | 0 | 0 | 113.2 | P138 Q144 Y184 R187 R188 | P138-W146 HydrophobicContact CB-CH2 4.12Å; P138-W146 HydrophobicContact CB-CZ2 4.08Å; Q144-W146 VanDerWaalsContact C-N 3.25Å; Q144-W146 HydrophobicContact CB-CD2 3.74Å; Q144-W146 HydrophobicContact CB-CE3 3.78Å; Q144-W146 HydrophobicContact CB-CH2 3.56Å; Q144-W146 HydrophobicContact CB-CZ2 3.5Å; Q144-W146 VanDerWaalsContact CB-CZ2 3.5Å; Q144-W146 HydrophobicContact CB-CZ3 3.7Å; Q144-W146 HydrophobicContact CG-CH2 3.53Å; Q144-W146 HydrophobicContact CG-CZ2 3.47Å; Q144-W146 VanDerWaalsContact CG-CZ2 3.47Å; Q144-W146 HydrophobicContact CG-CZ3 4.14Å; Q144-W146 PolarHBondContact O-N 3.41Å; W146-Y184 AromaticContact CZ2-CD2 3.75Å; W146-Y184 HydrophobicContact CZ2-CD2 3.75Å; W146-Y184 HydrophobicContact CZ2-CE2 4.23Å; W146-R187 HydrophobicContact CB-CB 4.24Å; W146-R187 VanDerWaalsContact O-CD 3.28Å; W146-R187 WeakPolarHBondContact O-CD 3.43Å; W146-R188 HydrophobicContact CB-CB 4.31Å; W146-R188 HydrophobicContact CD2-CB 3.68Å; W146-R188 HydrophobicContact CD2-CG 3.98Å; W146-R188 HydrophobicContact CE3-CB 4.21Å; W146-R188 HydrophobicContact CE3-CG 4.03Å; W146-R188 HydrophobicContact CG-CB 3.71Å; W146-R188 HydrophobicContact CH2-CG 4.4Å; W146-R188 HydrophobicContact CZ2-CB 4.5Å; W146-R188 HydrophobicContact CZ2-CG 4.37Å; W146-R188 HydrophobicContact CZ3-CG 4.24Å |
| 147 | N | 94.6 | Very high | 84.2 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | trans | -76.1 | 144.8 | -174.9 | -71.5 | 128 | 0 | 0 | 0 | 112.5 | R141 C142 Q144 C151 E183 | R141-N147 PolarHBondContact O-OD1 2.69Å; C142-N147 VanDerWaalsContact CA-OD1 3.26Å; C142-N147 WeakPolarHBondContact CA-OD1 3.37Å; C142-N147 WeakPolarHBondContact O-CB 3.21Å; C142-N147 PolarHBondContact O-OD1 3.26Å; Q144-N147 VanDerWaalsContact CB-OD1 3.23Å; Q144-N147 WeakPolarHBondContact CB-OD1 3.27Å; Q144-N147 PolarHBondContact N-OD1 3.42Å; Q144-N147 VanDerWaalsContact N-OD1 3.09Å; Q144-N147 WeakPolarHBondContact O-CB 3.42Å; Q144-N147 PolarHBondContact O-N 3.16Å; N147-C151 HydrophobicContact CB-CB 4.2Å; N147-C151 PolarHBondContact ND2-SG 2.93Å; N147-E183 WeakPolarHBondContact CA-OE2 3.47Å; N147-E183 WeakPolarHBondContact CB-OE2 3.34Å; N147-E183 PolarHBondContact ND2-OE2 3.23Å | ||
| 148 | T | 91.8 | Very high | 81.5 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 17% | 0.172 | 38% | 0.376 | C | S | . | . | trans | -94.2 | 164.6 | 174.2 | 79.7 | 0 | 0 | 0 | 0 | 111.9 | A150 C151 E183 R187 | T148-A150 PolarHBondContact O-N 2.88Å; T148-A150 VanDerWaalsContact O-N 3.1Å; T148-A150 WeakPolarHBondContact OG1-CB 3.23Å; T148-A150 PolarHBondContact OG1-N 3.02Å; T148-A150 VanDerWaalsContact OG1-N 3.08Å; T148-C151 WeakPolarHBondContact O-CB 3.35Å; T148-C151 PolarHBondContact O-N 3.27Å; T148-E183 WeakPolarHBondContact CB-OE1 3.34Å; T148-E183 PolarHBondContact N-OE1 2.88Å; T148-E183 PolarHBondContact N-OE2 3.17Å; T148-E183 PolarHBondContact OG1-OE1 3Å; T148-R187 VanDerWaalsContact CG2-NH1 3.31Å | ||
| 149 | P | 88 | Confident | 79 | Confident | 124 Ų | 124 | 74 Ų | 74 | 81% | 0.805 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -18.8 | 169.4 | -24.4 | 35.3 | 0 | 0 | 0 | 114.3 | C151 R152 | P149-C151 VanDerWaalsContact C-N 3.32Å; P149-R152 PolarHBondContact O-NH1 3.28Å |
| 150 | A | 86.8 | Confident | 76.1 | Confident | 11 Ų | 11 | 79.8 Ų | 79.8 | 9% | 0.091 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -8.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T148 R152 T177 V178 | T148-A150 PolarHBondContact O-N 2.88Å; T148-A150 VanDerWaalsContact O-N 3.1Å; T148-A150 WeakPolarHBondContact OG1-CB 3.23Å; T148-A150 PolarHBondContact OG1-N 3.02Å; T148-A150 VanDerWaalsContact OG1-N 3.08Å; A150-R152 PolarHBondContact O-N 3.36Å; A150-T177 WeakPolarHBondContact O-CA 3.48Å; A150-V178 PolarHBondContact O-N 3.02Å; A150-V178 VanDerWaalsContact O-N 3.17Å |
| 151 | C | 90.6 | Very high | 73.8 | Confident | 7 Ų | 7 | 82.4 Ų | 82.4 | 5% | 0.047 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 133.6 | 178.7 | -169.7 | 0 | 0 | 0 | 0 | 111 | C142 N147 T148 P149 V178 E183 | C142-C151 VanDerWaalsContact CA-SG 3.55Å; C142-C151 HydrophobicContact CB-CB 3.64Å; C142-C151 WeakPolarHBondContact CB-SG 3.49Å; C142-C151 WeakPolarHBondContact SG-CB 3.16Å; C142-C151 CovalentContact SG-SG 2.04Å; C142-C151 PolarHBondContact SG-SG 3.31Å; N147-C151 HydrophobicContact CB-CB 4.2Å; N147-C151 PolarHBondContact ND2-SG 2.93Å; T148-C151 WeakPolarHBondContact O-CB 3.35Å; T148-C151 PolarHBondContact O-N 3.27Å; P149-C151 VanDerWaalsContact C-N 3.32Å; C151-V178 CarbonylContact C-O 3.57Å; C151-V178 VanDerWaalsContact CA-O 3.3Å; C151-V178 WeakPolarHBondContact CA-O 3.47Å; C151-E183 VanDerWaalsContact CB-OE2 3.31Å; C151-E183 WeakPolarHBondContact CB-OE2 3.35Å; C151-E183 PolarHBondContact N-OE1 3.31Å |
| 152 | R | 86.9 | Confident | 71.1 | Confident | 119 Ų | 119 | 83.2 Ų | 83.2 | 45% | 0.449 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.2 | 171.7 | -64.2 | -65.2 | 180 | -91.6 | 1.3 | 111 | C142 P149 A150 T177 V178 D179 A180 | C142-R152 PolarHBondContact SG-N 2.63Å; P149-R152 PolarHBondContact O-NH1 3.28Å; A150-R152 PolarHBondContact O-N 3.36Å; R152-T177 HydrophobicContact CG-CG2 3.97Å; R152-V178 PolarHBondContact N-O 3Å; R152-D179 WeakPolarHBondContact O-CA 3.26Å; R152-A180 PolarHBondContact O-N 2.9Å |
| 153 | V | 83.6 | Confident | 68.7 | Low | 67 Ų | 67 | 86.6 Ų | 86.6 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | trans | -78.4 | 140.2 | 170 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | T140 C142 T155 | T140-V153 WeakPolarHBondContact O-CG1 3.47Å; C142-V153 HydrophobicContact CB-CG2 3.96Å; V153-T155 PolarHBondContact O-N 3.47Å | ||
| 154 | F | 66.5 | Low | 66.3 | Low | 69 Ų | 69 | 86.8 Ų | 86.8 | 30% | 0.303 | 49% | 0.486 | S | S | . | . | trans | -71.4 | 111.4 | 174 | -172.7 | -94.2 | 0 | 0 | 0 | 110.4 | I311 S312 T337 | F154-I311 HydrophobicContact CD1-CD1 4.36Å; F154-I311 HydrophobicContact CE1-CB 4.19Å; F154-I311 HydrophobicContact CE1-CD1 3.54Å; F154-I311 HydrophobicContact CE1-CG1 3.79Å; F154-I311 HydrophobicContact CZ-CB 4.1Å; F154-I311 HydrophobicContact CZ-CD1 3.9Å; F154-I311 HydrophobicContact CZ-CG1 3.65Å; F154-I311 WeakPolarHBondContact CZ-O 2.94Å; F154-S312 WeakPolarHBondContact CE2-OG 3.23Å; F154-T337 HydrophobicContact CD1-CG2 3.93Å; F154-T337 HydrophobicContact CE1-CG2 4.35Å | ||
| 155 | T | 56.7 | Low | 63.5 | Low | 86 Ų | 86 | 91.8 Ų | 91.8 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | trans | -112.6 | 131.1 | 171 | 56.2 | 0 | 0 | 0 | 0 | 110 | V153 R157 | V153-T155 PolarHBondContact O-N 3.47Å; T155-R157 PolarHBondContact O-N 2.95Å | ||
| 156 | S | 47.4 | Very low | 60.7 | Low | 107 Ų | 107 | 93.5 Ų | 93.5 | 75% | 0.748 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -64 | -3.8 | 172 | 54.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 157 | R | 39.3 | Very low | 58.3 | Low | 205 Ų | 205 | 97.1 Ų | 97.1 | 77% | 0.774 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -84.6 | 128.2 | 176.4 | -69.4 | -176.9 | 179.3 | 163.7 | 0.2 | 109.1 | T155 I159 | T155-R157 PolarHBondContact O-N 2.95Å; R157-I159 PolarHBondContact O-N 3.32Å |
| 158 | P | 38.4 | Very low | 55.6 | Low | 112 Ų | 112 | 101.7 Ų | 101.7 | 73% | 0.727 | 56% | 0.559 | S | S | * | * | trans | -51.4 | 127 | 163.2 | -17.3 | 28.7 | 0 | 0 | 0 | 107.3 | N160 | P158-N160 VanDerWaalsContact C-N 3.34Å; P158-N160 PolarHBondContact O-N 3.11Å | ||
| 159 | I | 44.2 | Very low | 53.1 | Low | 117 Ų | 117 | 109.7 Ų | 109.7 | 60% | 0.6 | 59% | 0.594 | S | S | * | * | trans | -58.9 | 107 | 167.4 | -62.6 | 167.9 | 0 | 0 | 0 | 104.5 | R157 S161 | R157-I159 PolarHBondContact O-N 3.32Å; I159-S161 PolarHBondContact O-N 2.96Å | ||
| 160 | N | 33.9 | Very low | 50.8 | Low | 122 Ų | 122 | 111 Ų | 111 | 65% | 0.652 | 60% | 0.595 | S | S | * | * | trans | -53.1 | 119.8 | 162 | -76.6 | -13.7 | 0 | 0 | 0 | 105.2 | P158 S162 T163 | P158-N160 VanDerWaalsContact C-N 3.34Å; P158-N160 PolarHBondContact O-N 3.11Å; N160-S162 PolarHBondContact O-N 3.18Å; N160-T163 PolarHBondContact O-N 2.71Å | ||
| 161 | S | 43.4 | Very low | 48.7 | Very low | 93 Ų | 93 | 115 Ų | 115 | 65% | 0.65 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -53.3 | -9.2 | -178.5 | -64.4 | 0 | 0 | 0 | 0 | 114.2 | I159 T163 I164 | I159-S161 PolarHBondContact O-N 2.96Å; S161-T163 VanDerWaalsContact C-N 3.31Å; S161-T163 PolarHBondContact O-N 2.92Å; S161-I164 PolarHBondContact O-N 3.22Å |
| 162 | S | 36 | Very low | 46.5 | Very low | 82 Ų | 82 | 123.4 Ų | 123.4 | 57% | 0.573 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -69.9 | -12.8 | 175.8 | 54.6 | 0 | 0 | 0 | 0 | 115.6 | N160 I164 | N160-S162 PolarHBondContact O-N 3.18Å; S162-I164 VanDerWaalsContact C-N 3.34Å |
| 163 | T | 41.4 | Very low | 44.5 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -87.9 | -0.5 | 170.3 | 53.4 | 0 | 0 | 0 | 0 | 114 | N160 S161 E165 | N160-T163 PolarHBondContact O-N 2.71Å; S161-T163 VanDerWaalsContact C-N 3.31Å; S161-T163 PolarHBondContact O-N 2.92Å; T163-E165 VanDerWaalsContact C-N 3.34Å |
| 164 | I | 40.7 | Very low | 42.9 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 59% | 0.585 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -79.6 | -17.5 | 171.3 | -61.1 | 179.2 | 0 | 0 | 0 | 111.4 | S161 S162 N166 I167 | S161-I164 PolarHBondContact O-N 3.22Å; S162-I164 VanDerWaalsContact C-N 3.34Å; I164-N166 VanDerWaalsContact C-N 3.33Å; I164-N166 PolarHBondContact O-N 2.99Å; I164-I167 PolarHBondContact O-N 2.8Å |
| 165 | E | 35.8 | Very low | 42.3 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 77% | 0.771 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -6.9 | -172.1 | -73 | -172.4 | 163.7 | 0 | 0 | 116.4 | T163 | T163-E165 VanDerWaalsContact C-N 3.34Š|
| 166 | N | 35.4 | Very low | 42.8 | Very low | 157 Ų | 157 | 131.6 Ų | 131.6 | 84% | 0.84 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 9.1 | 176.4 | -92.9 | -5.2 | 0 | 0 | 0 | 115.4 | I164 T168 | I164-N166 VanDerWaalsContact C-N 3.33Å; I164-N166 PolarHBondContact O-N 2.99Å; N166-T168 PolarHBondContact O-N 2.86Å |
| 167 | I | 43.8 | Very low | 44.3 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 62% | 0.621 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -90.7 | 91.1 | 160.4 | -56.4 | 179.7 | 0 | 0 | 0 | 106.9 | I164 H169 | I164-I167 PolarHBondContact O-N 2.8Å; I167-H169 PolarHBondContact O-N 3.18Å |
| 168 | T | 36.5 | Very low | 46.5 | Very low | 119 Ų | 119 | 121.6 Ų | 121.6 | 73% | 0.73 | 67% | 0.667 | S | S | * | * | trans | -42 | 130.4 | 167.6 | 33.3 | 0 | 0 | 0 | 0 | 110.7 | N166 N170 | N166-T168 PolarHBondContact O-N 2.86Å; T168-N170 PolarHBondContact O-N 3.25Å | ||
| 169 | H | 39.3 | Very low | 48.8 | Very low | 196 Ų | 196 | 118 Ų | 118 | 91% | 0.907 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -61.2 | 49.9 | -179.9 | -91.2 | -90.5 | 0 | 0 | 0 | 114.6 | I167 | I167-H169 PolarHBondContact O-N 3.18Š|
| 170 | N | 40.8 | Very low | 51.1 | Low | 152 Ų | 152 | 112.7 Ų | 112.7 | 81% | 0.813 | 61% | 0.614 | S | S | * | * | trans | -126.2 | 69.3 | 175.2 | -95.3 | 0.7 | 0 | 0 | 0 | 111.3 | T168 | T168-N170 PolarHBondContact O-N 3.25Š| ||
| 171 | S | 42.5 | Very low | 53.9 | Low | 96 Ų | 96 | 107.1 Ų | 107.1 | 67% | 0.671 | 59% | 0.585 | S | S | * | * | trans | 169.2 | 135.5 | 130.8 | 57.9 | 0 | 0 | 0 | 0 | 108.9 | R173 | S171-R173 PolarHBondContact O-N 3.25Š| ||
| 172 | N | 44 | Very low | 56.2 | Low | 183 Ų | 183 | 102.8 Ų | 102.8 | 98% | 0.979 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -65.6 | 29.6 | 177.1 | -75.4 | -18.8 | 0 | 0 | 0 | 114.3 | ||
| 173 | R | 45.4 | Very low | 59 | Low | 199 Ų | 199 | 99 Ų | 99 | 75% | 0.751 | 53% | 0.528 | S | S | * | . | trans | -106.8 | 93.7 | 174.7 | -152.6 | 170.2 | -165.2 | 146.6 | 1.1 | 107.1 | S171 L175 | S171-R173 PolarHBondContact O-N 3.25Å; R173-L175 PolarHBondContact O-N 3.31Å | ||
| 174 | S | 50 | Low | 61.6 | Low | 109 Ų | 109 | 93.9 Ų | 93.9 | 76% | 0.762 | 50% | 0.496 | S | S | * | . | trans | -52.8 | 97.5 | 159.7 | 53.4 | 0 | 0 | 0 | 0 | 107.2 | I176 | S174-I176 PolarHBondContact O-N 3.08Š| ||
| 175 | L | 54.5 | Low | 64.3 | Low | 123 Ų | 123 | 88.5 Ų | 88.5 | 64% | 0.644 | 47% | 0.469 | S | S | * | . | trans | -62.3 | 109.2 | 175 | -83.4 | 154.3 | 0 | 0 | 0 | 106 | R173 T177 | R173-L175 PolarHBondContact O-N 3.31Å; L175-T177 PolarHBondContact O-N 2.83Å | ||
| 176 | I | 67.1 | Low | 67.1 | Low | 82 Ų | 82 | 81.2 Ų | 81.2 | 42% | 0.421 | 43% | 0.434 | S | S | . | . | trans | -58.3 | 110.4 | 170.6 | -62.2 | 173.8 | 0 | 0 | 0 | 105.2 | S174 V178 | S174-I176 PolarHBondContact O-N 3.08Å; I176-V178 PolarHBondContact O-N 2.83Å | ||
| 177 | T | 77.3 | Confident | 70 | Confident | 88 Ų | 88 | 79.8 Ų | 79.8 | 54% | 0.54 | 42% | 0.417 | S | S | . | . | trans | -71.4 | 128.9 | 175.6 | 52.8 | 0 | 0 | 0 | 0 | 108.2 | A150 R152 L175 | A150-T177 WeakPolarHBondContact O-CA 3.48Å; R152-T177 HydrophobicContact CG-CG2 3.97Å; L175-T177 PolarHBondContact O-N 2.83Å | ||
| 178 | V | 85.1 | Confident | 72.5 | Confident | 14 Ų | 14 | 77.1 Ų | 77.1 | 9% | 0.085 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 137.4 | -179.9 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | A150 C151 R152 I176 T182 E183 | A150-V178 PolarHBondContact O-N 3.02Å; A150-V178 VanDerWaalsContact O-N 3.17Å; C151-V178 CarbonylContact C-O 3.57Å; C151-V178 VanDerWaalsContact CA-O 3.3Å; C151-V178 WeakPolarHBondContact CA-O 3.47Å; R152-V178 PolarHBondContact N-O 3Å; I176-V178 PolarHBondContact O-N 2.83Å; V178-T182 HydrophobicContact CG1-CG2 3.44Å; V178-T182 VanDerWaalsContact CG1-CG2 3.44Å; V178-E183 HydrophobicContact CB-CG 4.08Å; V178-E183 HydrophobicContact CG1-CG 3.74Å |
| 179 | D | 88.4 | Confident | 75.3 | Confident | 36 Ų | 36 | 71.5 Ų | 71.5 | 19% | 0.193 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 154.5 | 178.5 | 66.6 | -126.5 | 0 | 0 | 0 | 112.5 | R152 T181 T182 E183 K333 | R152-D179 WeakPolarHBondContact O-CA 3.26Å; D179-T181 PolarHBondContact O-N 3.25Å; D179-T181 VanDerWaalsContact O-N 3.16Å; D179-T181 WeakPolarHBondContact OD2-CB 3.44Å; D179-T181 PolarHBondContact OD2-N 3.44Å; D179-T181 VanDerWaalsContact OD2-N 3.15Å; D179-T182 PolarHBondContact O-N 3.22Å; D179-T182 PolarHBondContact OD1-OG1 2.63Å; D179-T182 WeakPolarHBondContact OD2-CB 3.42Å; D179-T182 PolarHBondContact OD2-N 3.45Å; D179-T182 PolarHBondContact OD2-OG1 2.64Å; D179-E183 PolarHBondContact O-N 3.44Å; D179-K333 IonicContact OD1-NZ 2.83Å; D179-K333 PolarHBondContact OD1-NZ 3.02Å |
| 180 | A | 92.7 | Very high | 78.1 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.7 | -32.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | W139 R141 R152 Y184 | W139-A180 CarbonylContact O-C 3.54Å; W139-A180 VanDerWaalsContact O-CB 3.23Å; W139-A180 WeakPolarHBondContact O-CB 3.43Å; R141-A180 WeakPolarHBondContact O-CB 3.28Å; R152-A180 PolarHBondContact O-N 2.9Å; A180-Y184 VanDerWaalsContact O-CB 3.31Å; A180-Y184 WeakPolarHBondContact O-CB 3.35Å; A180-Y184 PolarHBondContact O-N 2.99Å |
| 181 | T | 92.5 | Very high | 80.7 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74 | -41.6 | -179.7 | -47.5 | 0 | 0 | 0 | 0 | 112.2 | W139 D179 Y184 W185 I329 P332 K333 | W139-T181 HydrophobicContact CB-CG2 4.08Å; W139-T181 HydrophobicContact CG-CG2 4.29Å; W139-T181 PolarHBondContact O-N 3.39Å; W139-T181 PolarHBondContact O-OG1 2.91Å; D179-T181 PolarHBondContact O-N 3.25Å; D179-T181 VanDerWaalsContact O-N 3.16Å; D179-T181 WeakPolarHBondContact OD2-CB 3.44Å; D179-T181 PolarHBondContact OD2-N 3.44Å; D179-T181 VanDerWaalsContact OD2-N 3.15Å; T181-Y184 PolarHBondContact O-N 3.2Å; T181-W185 PolarHBondContact O-N 3.05Å; T181-I329 HydrophobicContact CG2-CG2 4.49Å; T181-I329 VanDerWaalsContact CG2-O 3.24Å; T181-I329 WeakPolarHBondContact CG2-O 3.45Å; T181-P332 HydrophobicContact CG2-CB 3.99Å; T181-K333 HydrophobicContact CG2-CB 4.17Å; T181-K333 WeakPolarHBondContact OG1-CA 3.26Å; T181-K333 WeakPolarHBondContact OG1-CB 3.4Å |
| 182 | T | 91.9 | Very high | 83.2 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 173.6 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | V178 D179 Y184 W185 E186 I329 A491 | V178-T182 HydrophobicContact CG1-CG2 3.44Å; V178-T182 VanDerWaalsContact CG1-CG2 3.44Å; D179-T182 PolarHBondContact O-N 3.22Å; D179-T182 PolarHBondContact OD1-OG1 2.63Å; D179-T182 WeakPolarHBondContact OD2-CB 3.42Å; D179-T182 PolarHBondContact OD2-N 3.45Å; D179-T182 PolarHBondContact OD2-OG1 2.64Å; T182-Y184 VanDerWaalsContact C-N 3.32Å; T182-Y184 PolarHBondContact O-N 2.89Å; T182-W185 PolarHBondContact O-N 3.22Å; T182-E186 HydrophobicContact CG2-CG 4.32Å; T182-E186 PolarHBondContact O-N 3.49Å; T182-I329 WeakPolarHBondContact OG1-CG2 3.39Å; T182-A491 HydrophobicContact CG2-CB 3.49Å; T182-A491 VanDerWaalsContact CG2-CB 3.49Å |
| 183 | E | 94.5 | Very high | 85.7 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -37.6 | 177.2 | -71.3 | -159.3 | 173.2 | 0 | 0 | 112.3 | N147 T148 C151 V178 D179 R187 | N147-E183 WeakPolarHBondContact CA-OE2 3.47Å; N147-E183 WeakPolarHBondContact CB-OE2 3.34Å; N147-E183 PolarHBondContact ND2-OE2 3.23Å; T148-E183 WeakPolarHBondContact CB-OE1 3.34Å; T148-E183 PolarHBondContact N-OE1 2.88Å; T148-E183 PolarHBondContact N-OE2 3.17Å; T148-E183 PolarHBondContact OG1-OE1 3Å; C151-E183 VanDerWaalsContact CB-OE2 3.31Å; C151-E183 WeakPolarHBondContact CB-OE2 3.35Å; C151-E183 PolarHBondContact N-OE1 3.31Å; V178-E183 HydrophobicContact CB-CG 4.08Å; V178-E183 HydrophobicContact CG1-CG 3.74Å; D179-E183 PolarHBondContact O-N 3.44Å; E183-R187 WeakPolarHBondContact O-CA 3.5Å; E183-R187 WeakPolarHBondContact O-CB 3.47Å; E183-R187 PolarHBondContact O-N 3.22Å |
| 184 | Y | 96.3 | Very high | 88 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -60.1 | -47.5 | 173.5 | 178.3 | -99.7 | 0 | 0 | 0 | 111.4 | H127 Y128 S131 P138 W139 W146 A180 T181 T182 R188 V189 | H127-Y184 PolarHBondContact CE1-OH 2.98Å; H127-Y184 VanDerWaalsContact CE1-OH 3.26Å; H127-Y184 PolarHBondContact ND1-OH 3.4Å; Y128-Y184 AromaticContact CD1-CE1 4Å; Y128-Y184 HydrophobicContact CD1-CE1 4Å; Y128-Y184 HydrophobicContact CD2-CE1 4.36Å; Y128-Y184 AromaticContact CE1-CD1 3.89Å; Y128-Y184 HydrophobicContact CE1-CD1 3.89Å; Y128-Y184 AromaticContact CE1-CE1 3.54Å; Y128-Y184 HydrophobicContact CE1-CE1 3.54Å; Y128-Y184 HydrophobicContact CE2-CD1 4.49Å; Y128-Y184 AromaticContact CE2-CE1 3.92Å; Y128-Y184 HydrophobicContact CE2-CE1 3.92Å; Y128-Y184 HydrophobicContact CG-CE1 4.42Å; Y128-Y184 AromaticContact CZ-CD1 3.75Å; Y128-Y184 AromaticContact CZ-CE1 3.5Å; Y128-Y184 VanDerWaalsContact CZ-CE1 3.5Å; S131-Y184 WeakPolarHBondContact CB-OH 3.49Å; S131-Y184 PolarHBondContact OG-OH 2.95Å; P138-Y184 HydrophobicContact CB-CD2 4.25Å; P138-Y184 HydrophobicContact CB-CE2 3.94Å; P138-Y184 HydrophobicContact CG-CD2 4.45Å; P138-Y184 HydrophobicContact CG-CE2 3.78Å; W139-Y184 HydrophobicContact CB-CD1 3.87Å; W139-Y184 HydrophobicContact CB-CD2 4.43Å; W139-Y184 HydrophobicContact CB-CG 3.74Å; W139-Y184 HydrophobicContact CD2-CD1 4.39Å; W139-Y184 HydrophobicContact CD2-CE1 4.39Å; W139-Y184 AromaticContact CE3-CD1 3.81Å; W139-Y184 HydrophobicContact CE3-CD1 3.81Å; W139-Y184 AromaticContact CE3-CE1 3.43Å; W139-Y184 HydrophobicContact CE3-CE1 3.43Å; W139-Y184 VanDerWaalsContact CE3-CE1 3.43Å; W139-Y184 HydrophobicContact CE3-CE2 4.27Å; W139-Y184 HydrophobicContact CE3-CG 4.36Å; W139-Y184 AromaticContact CE3-CZ 3.69Å; W139-Y184 HydrophobicContact CG-CD1 4.47Å; W139-Y184 AromaticContact CZ3-CE1 3.94Å; W139-Y184 HydrophobicContact CZ3-CE1 3.94Å; W146-Y184 AromaticContact CZ2-CD2 3.75Å; W146-Y184 HydrophobicContact CZ2-CD2 3.75Å; W146-Y184 HydrophobicContact CZ2-CE2 4.23Å; A180-Y184 VanDerWaalsContact O-CB 3.31Å; A180-Y184 WeakPolarHBondContact O-CB 3.35Å; A180-Y184 PolarHBondContact O-N 2.99Å; T181-Y184 PolarHBondContact O-N 3.2Å; T182-Y184 VanDerWaalsContact C-N 3.32Å; T182-Y184 PolarHBondContact O-N 2.89Å; Y184-R188 HydrophobicContact CD2-CB 3.9Å; Y184-R188 HydrophobicContact CD2-CG 3.96Å; Y184-R188 HydrophobicContact CE2-CB 4.18Å; Y184-R188 HydrophobicContact CE2-CG 3.73Å; Y184-R188 WeakPolarHBondContact O-CA 3.46Å; Y184-R188 WeakPolarHBondContact O-CB 3.43Å; Y184-R188 PolarHBondContact O-N 2.94Å; Y184-V189 HydrophobicContact CD1-CG2 3.76Å; Y184-V189 HydrophobicContact CE1-CG2 3.36Å; Y184-V189 HydrophobicContact CE2-CG2 4.5Å; Y184-V189 HydrophobicContact CG-CG2 4.48Å; Y184-V189 WeakPolarHBondContact O-CG2 3.45Å; Y184-V189 PolarHBondContact O-N 2.93Å |
| 185 | W | 96.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -60.9 | -57.3 | 177.2 | 175.7 | -107.8 | 0 | 0 | 0 | 112.4 | W124 Y128 T181 T182 V189 L190 P324 F328 I329 M409 | W124-W185 HydrophobicContact CB-CH2 4.32Å; W124-W185 HydrophobicContact CB-CZ3 4.13Å; W124-W185 AromaticContact CD2-CH2 3.54Å; W124-W185 HydrophobicContact CD2-CH2 3.54Å; W124-W185 HydrophobicContact CD2-CZ3 4.2Å; W124-W185 AromaticContact CE2-CH2 3.93Å; W124-W185 AromaticContact CE3-CH2 3.63Å; W124-W185 HydrophobicContact CE3-CH2 3.63Å; W124-W185 HydrophobicContact CE3-CZ2 4.46Å; W124-W185 AromaticContact CG-CH2 3.86Å; W124-W185 HydrophobicContact CG-CH2 3.86Å; W124-W185 HydrophobicContact CG-CZ3 4.02Å; W124-W185 HydrophobicContact CH2-CH2 4.45Å; W124-W185 HydrophobicContact CZ2-CH2 4.38Å; W124-W185 HydrophobicContact CZ3-CH2 4.11Å; Y128-W185 AromaticContact CE2-CE3 3.85Å; Y128-W185 HydrophobicContact CE2-CE3 3.85Å; Y128-W185 AromaticContact CE2-CZ3 4Å; Y128-W185 HydrophobicContact CE2-CZ3 4Å; T181-W185 PolarHBondContact O-N 3.05Å; T182-W185 PolarHBondContact O-N 3.22Å; W185-V189 HydrophobicContact CE3-CB 4.21Å; W185-V189 HydrophobicContact CE3-CG1 4.11Å; W185-V189 HydrophobicContact CE3-CG2 4.48Å; W185-V189 HydrophobicContact CZ3-CG1 4.06Å; W185-V189 WeakPolarHBondContact O-CB 3.44Å; W185-L190 HydrophobicContact CD2-CD1 4.11Å; W185-L190 HydrophobicContact CD2-CG 4.34Å; W185-L190 VanDerWaalsContact CE2-CD1 3.49Å; W185-L190 HydrophobicContact CG-CD1 4.45Å; W185-L190 HydrophobicContact CH2-CD2 4.33Å; W185-L190 HydrophobicContact CZ2-CD1 3.76Å; W185-L190 HydrophobicContact CZ2-CD2 4.28Å; W185-L190 HydrophobicContact CZ2-CG 4.27Å; W185-L190 WeakPolarHBondContact O-CG 3.37Å; W185-L190 PolarHBondContact O-N 3.38Å; W185-P324 HydrophobicContact CH2-CB 4.41Å; W185-P324 HydrophobicContact CZ2-CB 3.96Å; W185-F328 HydrophobicContact CD2-CB 3.97Å; W185-F328 HydrophobicContact CE3-CB 3.42Å; W185-F328 VanDerWaalsContact CE3-CB 3.42Å; W185-F328 HydrophobicContact CE3-CG 4.07Å; W185-F328 HydrophobicContact CH2-CB 3.78Å; W185-F328 HydrophobicContact CH2-CD1 4.46Å; W185-F328 AromaticContact CH2-CD2 3.73Å; W185-F328 HydrophobicContact CH2-CD2 3.73Å; W185-F328 HydrophobicContact CH2-CE2 4.47Å; W185-F328 AromaticContact CH2-CG 3.73Å; W185-F328 HydrophobicContact CH2-CG 3.73Å; W185-F328 HydrophobicContact CZ2-CB 4.32Å; W185-F328 HydrophobicContact CZ3-CB 3.31Å; W185-F328 AromaticContact CZ3-CD1 3.86Å; W185-F328 HydrophobicContact CZ3-CD1 3.86Å; W185-F328 AromaticContact CZ3-CD2 3.93Å; W185-F328 HydrophobicContact CZ3-CD2 3.93Å; W185-F328 AromaticContact CZ3-CG 3.42Å; W185-F328 HydrophobicContact CZ3-CG 3.42Å; W185-F328 VanDerWaalsContact CZ3-CG 3.42Å; W185-I329 HydrophobicContact CB-CD1 4.3Å; W185-I329 HydrophobicContact CB-CG1 3.76Å; W185-I329 HydrophobicContact CG-CD1 4.02Å; W185-I329 HydrophobicContact CG-CG1 3.76Å; W185-M409 HydrophobicContact CZ2-SD 4.13Å |
| 186 | E | 95.4 | Very high | 92 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 5% | 0.051 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -72.9 | -38.2 | -172.3 | -64.9 | -175.9 | 176.1 | 0 | 0 | 112.2 | T182 H191 L192 A491 S492 | T182-E186 HydrophobicContact CG2-CG 4.32Å; T182-E186 PolarHBondContact O-N 3.49Å; E186-H191 CarbonylContact O-C 3.33Å; E186-H191 WeakPolarHBondContact O-CA 3.36Å; E186-H191 PolarHBondContact O-N 2.96Å; E186-L192 HydrophobicContact CG-CD2 4.33Å; E186-L192 WeakPolarHBondContact O-CB 3.43Å; E186-L192 PolarHBondContact O-N 3.18Å; E186-A491 PolarHBondContact OE1-N 2.93Å; E186-S492 WeakPolarHBondContact OE2-CB 3.38Å; E186-S492 PolarHBondContact OE2-OG 3.2Å |
| 187 | R | 95.7 | Very high | 93.4 | Very high | 127 Ų | 127 | 35.5 Ų | 35.5 | 48% | 0.479 | 17% | 0.173 | S | C | . | . | I | π-helix | trans | -102.1 | -33.3 | -171.1 | -59 | -178.5 | 162.7 | -105.9 | -7 | 114.6 | W146 T148 E183 H191 | W146-R187 HydrophobicContact CB-CB 4.24Å; W146-R187 VanDerWaalsContact O-CD 3.28Å; W146-R187 WeakPolarHBondContact O-CD 3.43Å; T148-R187 VanDerWaalsContact CG2-NH1 3.31Å; E183-R187 WeakPolarHBondContact O-CA 3.5Å; E183-R187 WeakPolarHBondContact O-CB 3.47Å; E183-R187 PolarHBondContact O-N 3.22Å; R187-H191 PolarHBondContact O-CD2 3.01Å; R187-H191 VanDerWaalsContact O-CG 3.29Å |
| 188 | R | 96.1 | Very high | 94.2 | Very high | 66 Ų | 66 | 35.3 Ų | 35.3 | 25% | 0.249 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -96.2 | -46.5 | -179.7 | 176.3 | 58.3 | -167.3 | 97.1 | -2 | 112.9 | W146 Y184 H191 D205 | W146-R188 HydrophobicContact CB-CB 4.31Å; W146-R188 HydrophobicContact CD2-CB 3.68Å; W146-R188 HydrophobicContact CD2-CG 3.98Å; W146-R188 HydrophobicContact CE3-CB 4.21Å; W146-R188 HydrophobicContact CE3-CG 4.03Å; W146-R188 HydrophobicContact CG-CB 3.71Å; W146-R188 HydrophobicContact CH2-CG 4.4Å; W146-R188 HydrophobicContact CZ2-CB 4.5Å; W146-R188 HydrophobicContact CZ2-CG 4.37Å; W146-R188 HydrophobicContact CZ3-CG 4.24Å; Y184-R188 HydrophobicContact CD2-CB 3.9Å; Y184-R188 HydrophobicContact CD2-CG 3.96Å; Y184-R188 HydrophobicContact CE2-CB 4.18Å; Y184-R188 HydrophobicContact CE2-CG 3.73Å; Y184-R188 WeakPolarHBondContact O-CA 3.46Å; Y184-R188 WeakPolarHBondContact O-CB 3.43Å; Y184-R188 PolarHBondContact O-N 2.94Å; R188-H191 PolarHBondContact O-CE1 3.08Å; R188-H191 PolarHBondContact O-ND1 3.45Å; R188-D205 IonicContact CZ-OD2 3.46Å; R188-D205 IonicContact NH1-OD2 3.95Å; R188-D205 PolarHBondContact NH1-OD2 3.29Å; R188-D205 IonicContact NH2-OD2 3.02Å; R188-D205 PolarHBondContact NH2-OD2 3.41Å |
| 189 | V | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -76.8 | -55.8 | -176.8 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | Y128 Y184 W185 L206 | Y128-V189 HydrophobicContact CD2-CG2 4.49Å; Y128-V189 HydrophobicContact CE2-CG1 4.37Å; Y128-V189 HydrophobicContact CE2-CG2 3.77Å; Y184-V189 HydrophobicContact CD1-CG2 3.76Å; Y184-V189 HydrophobicContact CE1-CG2 3.36Å; Y184-V189 HydrophobicContact CE2-CG2 4.5Å; Y184-V189 HydrophobicContact CG-CG2 4.48Å; Y184-V189 WeakPolarHBondContact O-CG2 3.45Å; Y184-V189 PolarHBondContact O-N 2.93Å; W185-V189 HydrophobicContact CE3-CB 4.21Å; W185-V189 HydrophobicContact CE3-CG1 4.11Å; W185-V189 HydrophobicContact CE3-CG2 4.48Å; W185-V189 HydrophobicContact CZ3-CG1 4.06Å; W185-V189 WeakPolarHBondContact O-CB 3.44Å; V189-L206 HydrophobicContact CG1-CD2 4.15Å; V189-L206 WeakPolarHBondContact O-CD1 3.43Å |
| 190 | L | 96.9 | Very high | 95 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -87.8 | -30.9 | -174.9 | -60.6 | 179.8 | 0 | 0 | 0 | 113.6 | W124 W185 L192 Q203 L206 M409 | W124-L190 HydrophobicContact CZ2-CD2 4.18Å; W185-L190 HydrophobicContact CD2-CD1 4.11Å; W185-L190 HydrophobicContact CD2-CG 4.34Å; W185-L190 VanDerWaalsContact CE2-CD1 3.49Å; W185-L190 HydrophobicContact CG-CD1 4.45Å; W185-L190 HydrophobicContact CH2-CD2 4.33Å; W185-L190 HydrophobicContact CZ2-CD1 3.76Å; W185-L190 HydrophobicContact CZ2-CD2 4.28Å; W185-L190 HydrophobicContact CZ2-CG 4.27Å; W185-L190 WeakPolarHBondContact O-CG 3.37Å; W185-L190 PolarHBondContact O-N 3.38Å; L190-L192 HydrophobicContact CB-CB 4.15Å; L190-L192 HydrophobicContact CD1-CD1 4.38Å; L190-L192 PolarHBondContact O-N 3.35Å; L190-Q203 PolarHBondContact O-NE2 2.97Å; L190-Q203 VanDerWaalsContact O-NE2 3.13Å; L190-L206 HydrophobicContact CD2-CD1 4.48Å; L190-M409 HydrophobicContact CD1-CB 4.11Å; L190-M409 HydrophobicContact CD1-CG 4.02Å; L190-M409 HydrophobicContact CD1-SD 4.04Å |
| 191 | H | 95.8 | Very high | 95.2 | Very high | 69 Ų | 69 | 42.4 Ų | 42.4 | 32% | 0.319 | 22% | 0.217 | S | C | . | . | trans | 41.4 | 55.5 | -158.6 | -45 | 66 | 0 | 0 | 0 | 111.1 | E186 R187 R188 S193 Q203 N406 | E186-H191 CarbonylContact O-C 3.33Å; E186-H191 WeakPolarHBondContact O-CA 3.36Å; E186-H191 PolarHBondContact O-N 2.96Å; R187-H191 PolarHBondContact O-CD2 3.01Å; R187-H191 VanDerWaalsContact O-CG 3.29Å; R188-H191 PolarHBondContact O-CE1 3.08Å; R188-H191 PolarHBondContact O-ND1 3.45Å; H191-S193 PolarHBondContact O-N 3.05Å; H191-Q203 VanDerWaalsContact ND1-CD 3.33Å; H191-Q203 PolarHBondContact ND1-NE2 2.77Å; H191-Q203 VanDerWaalsContact ND1-NE2 3.2Å; H191-Q203 PolarHBondContact ND1-OE1 3.5Å; H191-N406 WeakPolarHBondContact O-CB 3.39Å; H191-N406 PolarHBondContact O-ND2 3.49Å | ||
| 192 | L | 94.7 | Very high | 95.4 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 15% | 0.152 | 23% | 0.23 | C | C | . | . | trans | -57.6 | 126 | -167.8 | -172 | 63.7 | 0 | 0 | 0 | 111.2 | E186 L190 N406 M409 Y410 Y488 R490 | E186-L192 HydrophobicContact CG-CD2 4.33Å; E186-L192 WeakPolarHBondContact O-CB 3.43Å; E186-L192 PolarHBondContact O-N 3.18Å; L190-L192 HydrophobicContact CB-CB 4.15Å; L190-L192 HydrophobicContact CD1-CD1 4.38Å; L190-L192 PolarHBondContact O-N 3.35Å; L192-N406 WeakPolarHBondContact CA-O 3.33Å; L192-M409 HydrophobicContact CD1-CB 3.51Å; L192-M409 HydrophobicContact CD1-CG 4.2Å; L192-Y410 HydrophobicContact CD1-CE2 3.89Å; L192-Y410 WeakPolarHBondContact CD1-OH 3.5Å; L192-Y410 WeakPolarHBondContact CG-OH 3.32Å; L192-Y488 HydrophobicContact CD2-CE1 4.16Å; L192-R490 HydrophobicContact CD2-CG 4.38Å | ||
| 193 | S | 95.9 | Very high | 95.7 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | trans | -75.6 | 173.9 | 173.5 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | H191 G195 D198 N406 G407 Y410 R490 | H191-S193 PolarHBondContact O-N 3.05Å; S193-G195 PolarHBondContact O-N 2.93Å; S193-G195 PolarHBondContact OG-O 3.22Å; S193-G195 VanDerWaalsContact OG-O 3.13Å; S193-D198 WeakPolarHBondContact CB-O 3.47Å; S193-D198 PolarHBondContact OG-O 3.23Å; S193-N406 PolarHBondContact N-O 3.49Å; S193-N406 PolarHBondContact OG-O 2.94Å; S193-G407 VanDerWaalsContact OG-CA 3.26Å; S193-G407 WeakPolarHBondContact OG-CA 3.37Å; S193-G407 PolarHBondContact OG-N 3.43Å; S193-Y410 PolarHBondContact O-OH 2.93Å; S193-R490 PolarHBondContact O-NH1 3.15Å | ||
| 194 | D | 93.2 | Very high | 95.8 | Very high | 135 Ų | 135 | 55.1 Ų | 55.1 | 72% | 0.722 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -67.9 | -21.6 | -179.2 | -72.9 | -26.6 | 0 | 0 | 0 | 113.7 | R490 | D194-R490 PolarHBondContact O-NH1 3.43Å; D194-R490 PolarHBondContact O-NH2 2.88Å |
| 195 | G | 94.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 177.2 | 178.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | S193 H197 D198 Y410 Y497 | S193-G195 PolarHBondContact O-N 2.93Å; S193-G195 PolarHBondContact OG-O 3.22Å; S193-G195 VanDerWaalsContact OG-O 3.13Å; G195-H197 PolarHBondContact O-N 3.39Å; G195-H197 VanDerWaalsContact O-N 3.14Å; G195-D198 PolarHBondContact O-N 3.17Å; G195-D198 VanDerWaalsContact O-N 3.07Å; G195-Y410 VanDerWaalsContact C-CE2 3.41Å; G195-Y497 WeakPolarHBondContact CA-OH 3.38Å |
| 196 | I | 96 | Very high | 95.8 | Very high | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.4 | -175.9 | -162.1 | 172.7 | 0 | 0 | 0 | 113.9 | D198 Y410 V411 L414 Y497 F499 P500 W502 A503 | I196-D198 VanDerWaalsContact C-N 3.28Å; I196-Y410 HydrophobicContact CB-CD2 4.32Å; I196-Y410 HydrophobicContact CB-CG 4.11Å; I196-V411 HydrophobicContact CD1-CG2 4.4Å; I196-V411 HydrophobicContact CG1-CG2 4.35Å; I196-L414 HydrophobicContact CD1-CD1 3.38Å; I196-L414 HydrophobicContact CD1-CG 4.4Å; I196-Y497 PolarHBondContact N-OH 3.49Å; I196-Y497 VanDerWaalsContact N-OH 3.09Å; I196-F499 HydrophobicContact CD1-CD1 4.43Å; I196-F499 HydrophobicContact CD1-CE1 4.34Å; I196-P500 HydrophobicContact CG2-CG 3.58Å; I196-W502 HydrophobicContact CB-CH2 4.44Å; I196-W502 HydrophobicContact CD1-CH2 3.88Å; I196-W502 HydrophobicContact CD1-CZ3 4.33Å; I196-W502 HydrophobicContact CG1-CH2 3.87Å; I196-W502 HydrophobicContact CG1-CZ2 4.43Å; I196-W502 HydrophobicContact CG2-CH2 3.85Å; I196-W502 HydrophobicContact CG2-CZ2 3.59Å; I196-A503 HydrophobicContact CD1-CB 4.04Å; I196-A503 HydrophobicContact CG2-CB 4.26Å |
| 197 | H | 94.6 | Very high | 95.9 | Very high | 125 Ų | 125 | 56.9 Ų | 56.9 | 58% | 0.579 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -25.4 | 176.6 | -6.6 | -74.7 | 0 | 0 | 0 | 112.2 | G195 Y497 | G195-H197 PolarHBondContact O-N 3.39Å; G195-H197 VanDerWaalsContact O-N 3.14Å; H197-Y497 PolarHBondContact CE1-OH 3.47Å; H197-Y497 PolarHBondContact NE2-OH 2.93Å; H197-Y497 VanDerWaalsContact NE2-OH 3.08Å |
| 198 | D | 95 | Very high | 96 | Very high | 84 Ų | 84 | 56.5 Ų | 56.5 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | trans | -107 | 87.3 | 176.2 | -179 | 18.7 | 0 | 0 | 0 | 108.7 | S193 G195 I196 G200 | S193-D198 WeakPolarHBondContact CB-O 3.47Å; S193-D198 PolarHBondContact OG-O 3.23Å; G195-D198 PolarHBondContact O-N 3.17Å; G195-D198 VanDerWaalsContact O-N 3.07Å; I196-D198 VanDerWaalsContact C-N 3.28Å; D198-G200 PolarHBondContact O-N 2.91Å; D198-G200 PolarHBondContact OD1-N 2.72Å | ||
| 199 | I | 94.3 | Very high | 95.9 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 38% | 0.379 | 28% | 0.277 | S | S | . | . | trans | -70.3 | -24.9 | -179 | -161.2 | 65.1 | 0 | 0 | 0 | 111.7 | T405 N406 G407 V411 | I199-T405 WeakPolarHBondContact CD1-OG1 3.42Å; I199-T405 HydrophobicContact CG1-CG2 4.14Å; I199-T405 WeakPolarHBondContact CG1-OG1 3.37Å; I199-T405 VanDerWaalsContact O-CB 3.27Å; I199-T405 WeakPolarHBondContact O-CB 3.19Å; I199-T405 PolarHBondContact O-OG1 3.23Å; I199-N406 PolarHBondContact O-N 2.59Å; I199-G407 PolarHBondContact O-N 3.27Å; I199-V411 HydrophobicContact CD1-CG2 4Å | ||
| 200 | G | 95.6 | Very high | 95.8 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | trans | 56.9 | -143.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D198 | D198-G200 PolarHBondContact O-N 2.91Å; D198-G200 PolarHBondContact OD1-N 2.72Å | ||
| 201 | T | 96.8 | Very high | 95.6 | Very high | 92 Ų | 92 | 56.7 Ų | 56.7 | 56% | 0.564 | 29% | 0.293 | S | S | * | . | trans | -105.3 | 161.9 | -177.7 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | Q203 T405 N406 | T201-Q203 PolarHBondContact O-N 3.34Å; T201-T405 CarbonylContact O-C 3.51Å; T201-T405 WeakPolarHBondContact O-CA 3.38Å; T201-T405 WeakPolarHBondContact O-CB 3.1Å; T201-N406 PolarHBondContact N-OD1 2.91Å; T201-N406 PolarHBondContact O-N 3.27Å; T201-N406 VanDerWaalsContact O-N 3.13Å; T201-N406 PolarHBondContact O-OD1 3.48Å; T201-N406 PolarHBondContact OG1-OD1 2.98Å | ||
| 202 | I | 97.4 | Very high | 95.4 | Very high | 59 Ų | 59 | 56.1 Ų | 56.1 | 30% | 0.303 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -69.8 | 127.8 | 169.3 | -64.7 | 171.4 | 0 | 0 | 0 | 108.5 | W204 A207 L401 V404 T405 | I202-W204 PolarHBondContact O-N 3.11Å; I202-W204 VanDerWaalsContact O-N 3.15Å; I202-A207 HydrophobicContact CG2-CB 3.76Å; I202-L401 HydrophobicContact CG2-CD2 4.24Å; I202-V404 HydrophobicContact CG2-CG2 4.31Å; I202-T405 HydrophobicContact CG1-CG2 3.84Å |
| 203 | Q | 97.3 | Very high | 95.1 | Very high | 18 Ų | 18 | 55.2 Ų | 55.2 | 8% | 0.084 | 29% | 0.288 | C | S | . | . | trans | -70.6 | 107.2 | 171.3 | -62.9 | -59.7 | -14 | 0 | 0 | 109.3 | L190 H191 T201 D205 L206 A207 V404 N406 | L190-Q203 PolarHBondContact O-NE2 2.97Å; L190-Q203 VanDerWaalsContact O-NE2 3.13Å; H191-Q203 VanDerWaalsContact ND1-CD 3.33Å; H191-Q203 PolarHBondContact ND1-NE2 2.77Å; H191-Q203 VanDerWaalsContact ND1-NE2 3.2Å; H191-Q203 PolarHBondContact ND1-OE1 3.5Å; T201-Q203 PolarHBondContact O-N 3.34Å; Q203-D205 VanDerWaalsContact C-N 3.3Å; Q203-D205 PolarHBondContact O-N 2.91Å; Q203-L206 HydrophobicContact CB-CB 3.94Å; Q203-L206 HydrophobicContact CB-CD1 4.07Å; Q203-L206 HydrophobicContact CB-CG 4.07Å; Q203-L206 HydrophobicContact CG-CD1 4.29Å; Q203-L206 PolarHBondContact O-N 3.34Å; Q203-A207 WeakPolarHBondContact O-CB 3.2Å; Q203-A207 PolarHBondContact O-N 2.97Å; Q203-V404 VanDerWaalsContact CB-O 3.32Å; Q203-V404 WeakPolarHBondContact CB-O 2.97Å; Q203-V404 WeakPolarHBondContact CG-O 3.4Å; Q203-V404 PolarHBondContact N-O 2.9Å; Q203-N406 PolarHBondContact NE2-ND2 3.28Å | ||
| 204 | W | 96.7 | Very high | 94.6 | Very high | 201 Ų | 201 | 57 Ų | 57 | 76% | 0.761 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61 | -37.7 | -172.5 | -61.5 | 103 | 0 | 0 | 0 | 113 | I202 A207 L208 | I202-W204 PolarHBondContact O-N 3.11Å; I202-W204 VanDerWaalsContact O-N 3.15Å; W204-A207 PolarHBondContact O-N 3.42Å; W204-L208 WeakPolarHBondContact O-CG 3.42Å; W204-L208 PolarHBondContact O-N 2.96Å |
| 205 | D | 96.5 | Very high | 93.9 | Very high | 43 Ų | 43 | 56.4 Ų | 56.4 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 177.3 | 52.7 | 0.1 | 0 | 0 | 0 | 112.2 | H127 R188 Q203 L208 C209 | H127-D205 IonicContact CD2-OD2 3.77Å; H127-D205 IonicContact NE2-OD2 3.66Å; R188-D205 IonicContact CZ-OD2 3.46Å; R188-D205 IonicContact NH1-OD2 3.95Å; R188-D205 PolarHBondContact NH1-OD2 3.29Å; R188-D205 IonicContact NH2-OD2 3.02Å; R188-D205 PolarHBondContact NH2-OD2 3.41Å; Q203-D205 VanDerWaalsContact C-N 3.3Å; Q203-D205 PolarHBondContact O-N 2.91Å; D205-L208 PolarHBondContact O-N 3.38Å; D205-C209 PolarHBondContact O-N 2.88Å; D205-C209 PolarHBondContact O-SG 3.2Å |
| 206 | L | 97.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 171.9 | -68.2 | -175 | 0 | 0 | 0 | 112.7 | H127 V189 L190 Q203 L208 C209 L210 V404 | H127-L206 HydrophobicContact CB-CD2 3.86Å; V189-L206 HydrophobicContact CG1-CD2 4.15Å; V189-L206 WeakPolarHBondContact O-CD1 3.43Å; L190-L206 HydrophobicContact CD2-CD1 4.48Å; Q203-L206 HydrophobicContact CB-CB 3.94Å; Q203-L206 HydrophobicContact CB-CD1 4.07Å; Q203-L206 HydrophobicContact CB-CG 4.07Å; Q203-L206 HydrophobicContact CG-CD1 4.29Å; Q203-L206 PolarHBondContact O-N 3.34Å; L206-L208 VanDerWaalsContact C-N 3.3Å; L206-L208 PolarHBondContact O-N 3.19Å; L206-C209 PolarHBondContact O-N 3.23Å; L206-L210 VanDerWaalsContact O-CB 3.28Å; L206-L210 WeakPolarHBondContact O-CB 3.36Å; L206-L210 PolarHBondContact O-N 3.3Å; L206-V404 HydrophobicContact CB-CB 3.9Å; L206-V404 HydrophobicContact CB-CG1 4.03Å; L206-V404 HydrophobicContact CD1-CB 4.4Å |
| 207 | A | 97.2 | Very high | 91.1 | Very high | 8 Ų | 8 | 68.5 Ų | 68.5 | 7% | 0.066 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I202 Q203 W204 L210 L211 L401 | I202-A207 HydrophobicContact CG2-CB 3.76Å; Q203-A207 WeakPolarHBondContact O-CB 3.2Å; Q203-A207 PolarHBondContact O-N 2.97Å; W204-A207 PolarHBondContact O-N 3.42Å; A207-L210 WeakPolarHBondContact O-CB 3.23Å; A207-L210 PolarHBondContact O-N 3.43Å; A207-L211 WeakPolarHBondContact O-CB 3.23Å; A207-L211 PolarHBondContact O-N 3.39Å; A207-L401 HydrophobicContact CB-CD2 3.81Å |
| 208 | L | 96.1 | Very high | 89.1 | Confident | 118 Ų | 118 | 65.1 Ų | 65.1 | 62% | 0.618 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -68.2 | -40.4 | 172.7 | -70.2 | 173.5 | 0 | 0 | 0 | 112.3 | W204 D205 L206 L210 L211 L212 | W204-L208 WeakPolarHBondContact O-CG 3.42Å; W204-L208 PolarHBondContact O-N 2.96Å; D205-L208 PolarHBondContact O-N 3.38Å; L206-L208 VanDerWaalsContact C-N 3.3Å; L206-L208 PolarHBondContact O-N 3.19Å; L208-L210 VanDerWaalsContact C-N 3.3Å; L208-L210 PolarHBondContact O-N 3.03Å; L208-L211 PolarHBondContact O-N 3.1Å; L208-L212 WeakPolarHBondContact O-CB 3.43Å; L208-L212 PolarHBondContact O-N 3.22Å |
| 209 | C | 95.9 | Very high | 87.2 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 174 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | A123 F126 D205 L206 L212 T213 | A123-C209 HydrophobicContact CB-CB 4Å; A123-C209 VanDerWaalsContact O-CB 3.27Å; A123-C209 WeakPolarHBondContact O-CB 3.27Å; F126-C209 HydrophobicContact CB-CB 3.88Å; D205-C209 PolarHBondContact O-N 2.88Å; D205-C209 PolarHBondContact O-SG 3.2Å; L206-C209 PolarHBondContact O-N 3.23Å; C209-L212 PolarHBondContact O-N 2.84Å; C209-T213 PolarHBondContact O-N 3.04Å; C209-T213 PolarHBondContact O-OG1 2.67Å |
| 210 | L | 94.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 173.8 | -177.9 | 66.6 | 0 | 0 | 0 | 110.6 | T119 V120 A123 L206 A207 L208 L212 T213 W214 Y397 L401 V404 | T119-L210 VanDerWaalsContact OG1-CD1 3.27Å; T119-L210 WeakPolarHBondContact OG1-CD1 3.46Å; V120-L210 HydrophobicContact CG2-CD1 4.49Å; A123-L210 HydrophobicContact CB-CB 3.88Å; A123-L210 HydrophobicContact CB-CD1 4.29Å; L206-L210 VanDerWaalsContact O-CB 3.28Å; L206-L210 WeakPolarHBondContact O-CB 3.36Å; L206-L210 PolarHBondContact O-N 3.3Å; A207-L210 WeakPolarHBondContact O-CB 3.23Å; A207-L210 PolarHBondContact O-N 3.43Å; L208-L210 VanDerWaalsContact C-N 3.3Å; L208-L210 PolarHBondContact O-N 3.03Å; L210-L212 VanDerWaalsContact C-N 3.35Å; L210-L212 PolarHBondContact O-N 3.01Å; L210-T213 VanDerWaalsContact O-CB 3.28Å; L210-T213 WeakPolarHBondContact O-CB 3.38Å; L210-T213 PolarHBondContact O-N 3.08Å; L210-W214 PolarHBondContact O-N 2.69Å; L210-Y397 HydrophobicContact CB-CE2 4.21Å; L210-Y397 HydrophobicContact CD2-CD2 3.79Å; L210-Y397 HydrophobicContact CD2-CE2 3.86Å; L210-Y397 HydrophobicContact CG-CD2 3.75Å; L210-Y397 HydrophobicContact CG-CE2 3.89Å; L210-L401 HydrophobicContact CD2-CD2 4.17Å; L210-L401 HydrophobicContact CD2-CG 4.48Å; L210-V404 HydrophobicContact CD2-CG1 4.41Å; L210-V404 HydrophobicContact CD2-CG2 4.36Å |
| 211 | L | 92.6 | Very high | 83.8 | Confident | 69 Ų | 69 | 66 Ų | 66 | 36% | 0.361 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.1 | -178 | 64.2 | 0 | 0 | 0 | 111.6 | A207 L208 T213 W214 I215 Y397 | A207-L211 WeakPolarHBondContact O-CB 3.23Å; A207-L211 PolarHBondContact O-N 3.39Å; L208-L211 PolarHBondContact O-N 3.1Å; L211-T213 VanDerWaalsContact C-N 3.27Å; L211-T213 PolarHBondContact O-N 2.91Å; L211-W214 WeakPolarHBondContact O-CB 3.43Å; L211-W214 PolarHBondContact O-N 2.96Å; L211-W214 VanDerWaalsContact O-N 3.07Å; L211-I215 HydrophobicContact CD1-CD1 4.39Å; L211-I215 HydrophobicContact CG-CD1 3.97Å; L211-I215 WeakPolarHBondContact O-CG1 3.25Å; L211-I215 PolarHBondContact O-N 3.19Å; L211-Y397 HydrophobicContact CB-CE2 3.89Å; L211-Y397 HydrophobicContact CD1-CE2 4.3Å |
| 212 | L | 90.7 | Very high | 82.4 | Confident | 57 Ų | 57 | 65 Ų | 65 | 30% | 0.298 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 176.9 | 178.7 | 61.7 | 0 | 0 | 0 | 112 | F126 F130 L208 C209 L210 W214 I215 M216 | F126-L212 HydrophobicContact CD1-CD2 3.58Å; F126-L212 HydrophobicContact CD1-CG 4.41Å; F126-L212 HydrophobicContact CD2-CD2 4.44Å; F126-L212 HydrophobicContact CE1-CD2 3.54Å; F126-L212 HydrophobicContact CE1-CG 4.03Å; F126-L212 HydrophobicContact CE2-CD2 4.42Å; F126-L212 HydrophobicContact CE2-CG 4.27Å; F126-L212 HydrophobicContact CG-CD2 4.05Å; F126-L212 HydrophobicContact CZ-CD2 3.96Å; F126-L212 HydrophobicContact CZ-CG 3.93Å; F130-L212 HydrophobicContact CE2-CD2 4.14Å; F130-L212 HydrophobicContact CZ-CD2 3.61Å; L208-L212 WeakPolarHBondContact O-CB 3.43Å; L208-L212 PolarHBondContact O-N 3.22Å; C209-L212 PolarHBondContact O-N 2.84Å; L210-L212 VanDerWaalsContact C-N 3.35Å; L210-L212 PolarHBondContact O-N 3.01Å; L212-W214 PolarHBondContact O-N 3.22Å; L212-I215 PolarHBondContact O-N 3.39Å; L212-M216 WeakPolarHBondContact O-CB 3.26Å; L212-M216 PolarHBondContact O-N 2.97Å |
| 213 | T | 89.8 | Confident | 80.9 | Confident | 10 Ų | 10 | 62.2 Ų | 62.2 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.3 | -37.1 | 175.3 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | M122 F126 C209 L210 L211 M360 | M122-T213 HydrophobicContact CB-CG2 3.73Å; M122-T213 HydrophobicContact CE-CG2 3.32Å; M122-T213 HydrophobicContact CG-CG2 4.41Å; M122-T213 HydrophobicContact SD-CG2 3.88Å; F126-T213 WeakPolarHBondContact CD2-OG1 3.45Å; F126-T213 WeakPolarHBondContact CE2-OG1 3.49Å; C209-T213 PolarHBondContact O-N 3.04Å; C209-T213 PolarHBondContact O-OG1 2.67Å; L210-T213 VanDerWaalsContact O-CB 3.28Å; L210-T213 WeakPolarHBondContact O-CB 3.38Å; L210-T213 PolarHBondContact O-N 3.08Å; L211-T213 VanDerWaalsContact C-N 3.27Å; L211-T213 PolarHBondContact O-N 2.91Å; T213-M360 HydrophobicContact CG2-SD 4.08Å |
| 214 | W | 84.8 | Confident | 79.5 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 18% | 0.178 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -79.5 | -21.5 | 178.2 | -69.8 | 107.8 | 0 | 0 | 0 | 114.5 | T119 L210 L211 L212 M360 V364 C393 T396 Y397 | T119-W214 HydrophobicContact CG2-CH2 3.89Å; T119-W214 HydrophobicContact CG2-CZ2 3.24Å; L210-W214 PolarHBondContact O-N 2.69Å; L211-W214 WeakPolarHBondContact O-CB 3.43Å; L211-W214 PolarHBondContact O-N 2.96Å; L211-W214 VanDerWaalsContact O-N 3.07Å; L212-W214 PolarHBondContact O-N 3.22Å; W214-M360 HydrophobicContact CE3-CE 4.23Å; W214-M360 HydrophobicContact CH2-CE 3.27Å; W214-M360 HydrophobicContact CZ2-CE 3.79Å; W214-M360 HydrophobicContact CZ3-CE 3.53Å; W214-V364 HydrophobicContact CH2-CG2 4.36Å; W214-V364 HydrophobicContact CZ3-CG2 3.98Å; W214-C393 HydrophobicContact CD2-CB 4.15Å; W214-C393 HydrophobicContact CE3-CB 3.54Å; W214-C393 VanDerWaalsContact CE3-SG 3.55Å; W214-C393 HydrophobicContact CZ3-CB 3.79Å; W214-C393 VanDerWaalsContact CZ3-SG 3.53Å; W214-T396 HydrophobicContact CH2-CG2 4.35Å; W214-T396 WeakPolarHBondContact CH2-OG1 3.3Å; W214-T396 VanDerWaalsContact CZ2-CB 3.47Å; W214-T396 WeakPolarHBondContact CZ2-OG1 3.19Å; W214-Y397 AromaticContact CD1-CD2 3.7Å; W214-Y397 AromaticContact NE1-CD2 3.94Å |
| 215 | I | 79.1 | Confident | 78.5 | Confident | 121 Ų | 121 | 58.4 Ų | 58.4 | 62% | 0.621 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -89 | -27.8 | -179.2 | -63.8 | 169.4 | 0 | 0 | 0 | 111.1 | L211 L212 | L211-I215 HydrophobicContact CD1-CD1 4.39Å; L211-I215 HydrophobicContact CG-CD1 3.97Å; L211-I215 WeakPolarHBondContact O-CG1 3.25Å; L211-I215 PolarHBondContact O-N 3.19Å; L212-I215 PolarHBondContact O-N 3.39Å |
| 216 | M | 71.9 | Confident | 77.4 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 30% | 0.3 | 30% | 0.295 | S | S | . | . | trans | -77.1 | 130.5 | -169.5 | -163.2 | 166 | 81.8 | 0 | 0 | 113.2 | F126 L212 V218 I353 I357 | F126-M216 HydrophobicContact CE1-CE 4.08Å; F126-M216 HydrophobicContact CE1-SD 3.97Å; F126-M216 HydrophobicContact CZ-CE 3.5Å; F126-M216 VanDerWaalsContact CZ-CE 3.5Å; F126-M216 HydrophobicContact CZ-SD 3.68Å; L212-M216 WeakPolarHBondContact O-CB 3.26Å; L212-M216 PolarHBondContact O-N 2.97Å; M216-V218 HydrophobicContact CE-CG2 4.08Å; M216-V218 HydrophobicContact CG-CG2 3.79Å; M216-V218 HydrophobicContact SD-CG2 4.08Å; M216-I353 HydrophobicContact CE-CG2 3.44Å; M216-I353 VanDerWaalsContact CE-CG2 3.44Å; M216-I357 HydrophobicContact CE-CD1 3.19Å | ||
| 217 | Y | 58.2 | Low | 76.4 | Confident | 206 Ų | 206 | 58.3 Ų | 58.3 | 81% | 0.808 | 30% | 0.297 | S | S | * | . | trans | -117.1 | 107.1 | 173.9 | -177.2 | -90 | 0 | 0 | 0 | 109.4 | ||||
| 218 | V | 54 | Low | 75.4 | Confident | 54 Ų | 54 | 62.3 Ų | 62.3 | 33% | 0.327 | 32% | 0.316 | S | S | . | . | trans | -142 | 160.3 | 178.8 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | M216 L354 | M216-V218 HydrophobicContact CE-CG2 4.08Å; M216-V218 HydrophobicContact CG-CG2 3.79Å; M216-V218 HydrophobicContact SD-CG2 4.08Å; V218-L354 HydrophobicContact CB-CD2 4.19Å; V218-L354 HydrophobicContact CG1-CD2 3.54Å | ||
| 219 | T | 55.4 | Low | 74.8 | Confident | 88 Ų | 88 | 59.9 Ų | 59.9 | 54% | 0.54 | 30% | 0.303 | S | S | . | . | trans | -92.1 | 146.5 | -162.2 | 52 | 0 | 0 | 0 | 0 | 116.1 | L221 | T219-L221 PolarHBondContact O-N 3.49Š| ||
| 220 | A | 57.1 | Low | 74 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 19% | 0.19 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | I33 P223 D358 | I33-A220 HydrophobicContact CG2-CB 4.02Å; A220-P223 WeakPolarHBondContact O-CD 3.41Å; A220-D358 WeakPolarHBondContact CA-OD1 3.29Å; A220-D358 WeakPolarHBondContact CA-OD2 3.43Å; A220-D358 WeakPolarHBondContact CB-OD1 2.98Å |
| 221 | L | 60.8 | Low | 73.5 | Confident | 105 Ų | 105 | 61.8 Ų | 61.8 | 55% | 0.55 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -18.3 | -171 | -66.6 | 178.6 | 0 | 0 | 0 | 114.4 | I33 T219 P223 | I33-L221 HydrophobicContact CD1-CD2 4.13Å; I33-L221 HydrophobicContact CG1-CD2 4.3Å; I33-L221 HydrophobicContact CG2-CD2 3.81Å; I33-L221 HydrophobicContact CG2-CG 4.49Å; T219-L221 PolarHBondContact O-N 3.49Å; L221-P223 VanDerWaalsContact C-CD 3.41Å |
| 222 | L | 67.9 | Low | 73.1 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 37% | 0.372 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.2 | -32.2 | -176.1 | -80.3 | 156.1 | 0 | 0 | 0 | 115.7 | Y224 V225 F226 L354 | L222-Y224 VanDerWaalsContact C-N 3.26Å; L222-Y224 PolarHBondContact O-N 3.26Å; L222-V225 PolarHBondContact O-N 2.84Å; L222-F226 HydrophobicContact CB-CE2 4.34Å; L222-F226 HydrophobicContact CD2-CE2 4.31Å; L222-F226 VanDerWaalsContact O-CD2 3.28Å; L222-F226 WeakPolarHBondContact O-CD2 3.06Å; L222-F226 PolarHBondContact O-N 3.24Å; L222-L354 HydrophobicContact CB-CD1 3.4Å |
| 223 | P | 65.2 | Low | 72.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -54.9 | -39.3 | 179.9 | -25.1 | 30.4 | 0 | 0 | 0 | 114.1 | A220 L221 V225 F226 I227 L354 L355 | A220-P223 WeakPolarHBondContact O-CD 3.41Å; L221-P223 VanDerWaalsContact C-CD 3.41Å; P223-V225 VanDerWaalsContact C-N 3.33Å; P223-V225 PolarHBondContact O-N 3.17Å; P223-F226 PolarHBondContact O-N 2.9Å; P223-I227 VanDerWaalsContact O-CG1 3.32Å; P223-I227 WeakPolarHBondContact O-CG1 3.41Å; P223-I227 PolarHBondContact O-N 3.41Å; P223-L354 HydrophobicContact CG-CB 3.58Å; P223-L354 HydrophobicContact CG-CD1 4.45Å; P223-L355 HydrophobicContact CB-CD2 3.6Å; P223-L355 HydrophobicContact CB-CG 3.87Å; P223-L355 HydrophobicContact CG-CD2 3.96Å; P223-L355 HydrophobicContact CG-CG 4.21Å |
| 224 | Y | 66.9 | Low | 72.3 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.2 | -39 | -176.9 | -64.4 | -89.3 | 0 | 0 | 0 | 112.3 | I40 L222 F226 I227 I228 | I40-Y224 HydrophobicContact CD1-CD1 4.45Å; I40-Y224 HydrophobicContact CD1-CE1 3.55Å; I40-Y224 HydrophobicContact CD1-CE2 3.7Å; I40-Y224 WeakPolarHBondContact CD1-OH 3.23Å; L222-Y224 VanDerWaalsContact C-N 3.26Å; L222-Y224 PolarHBondContact O-N 3.26Å; Y224-F226 VanDerWaalsContact C-N 3.33Å; Y224-I227 PolarHBondContact O-N 2.86Å; Y224-I228 WeakPolarHBondContact O-CB 3.3Å; Y224-I228 WeakPolarHBondContact O-CD1 3.2Å; Y224-I228 VanDerWaalsContact O-CG1 3.24Å; Y224-I228 WeakPolarHBondContact O-CG1 3.21Å; Y224-I228 PolarHBondContact O-N 3.3Å |
| 225 | V | 75.4 | Confident | 72.3 | Confident | 78 Ų | 78 | 63.2 Ų | 63.2 | 47% | 0.473 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | L222 P223 I228 I229 | L222-V225 PolarHBondContact O-N 2.84Å; P223-V225 VanDerWaalsContact C-N 3.33Å; P223-V225 PolarHBondContact O-N 3.17Å; V225-I228 PolarHBondContact O-N 2.95Å; V225-I229 HydrophobicContact CG1-CD1 3.68Å; V225-I229 HydrophobicContact CG1-CG1 4.44Å; V225-I229 WeakPolarHBondContact O-CB 3.4Å; V225-I229 WeakPolarHBondContact O-CG1 2.85Å; V225-I229 PolarHBondContact O-N 3.26Å |
| 226 | F | 74.4 | Confident | 72.6 | Confident | 33 Ų | 33 | 63.4 Ų | 63.4 | 15% | 0.145 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 177.9 | -69.9 | -63.7 | 0 | 0 | 0 | 113.5 | L222 P223 Y224 I228 I229 L230 C347 I350 M351 L354 | L222-F226 HydrophobicContact CB-CE2 4.34Å; L222-F226 HydrophobicContact CD2-CE2 4.31Å; L222-F226 VanDerWaalsContact O-CD2 3.28Å; L222-F226 WeakPolarHBondContact O-CD2 3.06Å; L222-F226 PolarHBondContact O-N 3.24Å; P223-F226 PolarHBondContact O-N 2.9Å; Y224-F226 VanDerWaalsContact C-N 3.33Å; F226-I228 VanDerWaalsContact C-N 3.32Å; F226-I228 PolarHBondContact O-N 3.19Å; F226-I229 PolarHBondContact O-N 3.18Å; F226-L230 WeakPolarHBondContact O-CB 3.3Å; F226-L230 VanDerWaalsContact O-CG 3.28Å; F226-L230 WeakPolarHBondContact O-CG 3.31Å; F226-L230 PolarHBondContact O-N 3.32Å; F226-C347 HydrophobicContact CD1-CB 3.79Å; F226-C347 HydrophobicContact CE1-CB 4.03Å; F226-I350 HydrophobicContact CD2-CG2 4.11Å; F226-I350 HydrophobicContact CE2-CB 4.45Å; F226-I350 HydrophobicContact CE2-CG2 3.47Å; F226-I350 VanDerWaalsContact CE2-CG2 3.47Å; F226-I350 HydrophobicContact CZ-CG2 3.88Å; F226-M351 HydrophobicContact CB-CB 3.82Å; F226-M351 HydrophobicContact CB-CG 4.18Å; F226-M351 HydrophobicContact CG-CB 4.43Å; F226-L354 HydrophobicContact CD2-CD1 4.13Å; F226-L354 HydrophobicContact CE2-CD1 4.03Å |
| 227 | I | 75.4 | Confident | 73.2 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 174.5 | -71.3 | 169.9 | 0 | 0 | 0 | 110.3 | P223 Y224 L230 L231 V300 M351 | P223-I227 VanDerWaalsContact O-CG1 3.32Å; P223-I227 WeakPolarHBondContact O-CG1 3.41Å; P223-I227 PolarHBondContact O-N 3.41Å; Y224-I227 PolarHBondContact O-N 2.86Å; I227-L230 PolarHBondContact O-N 2.63Å; I227-L231 VanDerWaalsContact O-CB 3.24Å; I227-L231 WeakPolarHBondContact O-CB 3.45Å; I227-L231 PolarHBondContact O-N 3.14Å; I227-V300 HydrophobicContact CG2-CG2 3.93Å; I227-M351 HydrophobicContact CB-SD 4.48Å; I227-M351 HydrophobicContact CD1-SD 4.42Å; I227-M351 HydrophobicContact CG1-CG 4.11Å; I227-M351 HydrophobicContact CG1-SD 3.43Å; I227-M351 WeakPolarHBondContact CG1-SD 3.45Å |
| 228 | I | 78.3 | Confident | 74.4 | Confident | 92 Ų | 92 | 57.3 Ų | 57.3 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | -179.9 | -68.4 | 165.2 | 0 | 0 | 0 | 110.6 | Y224 V225 F226 L230 L231 V232 | Y224-I228 WeakPolarHBondContact O-CB 3.3Å; Y224-I228 WeakPolarHBondContact O-CD1 3.2Å; Y224-I228 VanDerWaalsContact O-CG1 3.24Å; Y224-I228 WeakPolarHBondContact O-CG1 3.21Å; Y224-I228 PolarHBondContact O-N 3.3Å; V225-I228 PolarHBondContact O-N 2.95Å; F226-I228 VanDerWaalsContact C-N 3.32Å; F226-I228 PolarHBondContact O-N 3.19Å; I228-L230 PolarHBondContact O-N 3.26Å; I228-L231 WeakPolarHBondContact O-CB 3.32Å; I228-L231 PolarHBondContact O-N 3.19Å; I228-V232 WeakPolarHBondContact O-CG2 3.22Å; I228-V232 PolarHBondContact O-N 3.04Å |
| 229 | I | 81.5 | Confident | 75.7 | Confident | 67 Ų | 67 | 55.3 Ų | 55.3 | 34% | 0.344 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.2 | -47.9 | 177.4 | -72 | 169.1 | 0 | 0 | 0 | 110.8 | V225 F226 V232 R233 W344 | V225-I229 HydrophobicContact CG1-CD1 3.68Å; V225-I229 HydrophobicContact CG1-CG1 4.44Å; V225-I229 WeakPolarHBondContact O-CB 3.4Å; V225-I229 WeakPolarHBondContact O-CG1 2.85Å; V225-I229 PolarHBondContact O-N 3.26Å; F226-I229 PolarHBondContact O-N 3.18Å; I229-V232 PolarHBondContact O-N 2.9Å; I229-R233 PolarHBondContact O-N 3.45Å; I229-W344 HydrophobicContact CG2-CZ3 3.92Å |
| 230 | L | 80.8 | Confident | 77 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68 | -36.7 | 178.5 | -70.3 | 172.9 | 0 | 0 | 0 | 111.9 | F226 I227 I228 R233 T234 V300 W344 F348 M351 | F226-L230 WeakPolarHBondContact O-CB 3.3Å; F226-L230 VanDerWaalsContact O-CG 3.28Å; F226-L230 WeakPolarHBondContact O-CG 3.31Å; F226-L230 PolarHBondContact O-N 3.32Å; I227-L230 PolarHBondContact O-N 2.63Å; I228-L230 PolarHBondContact O-N 3.26Å; L230-R233 PolarHBondContact O-N 3.19Å; L230-T234 VanDerWaalsContact O-CB 3.23Å; L230-T234 WeakPolarHBondContact O-CB 3.26Å; L230-T234 PolarHBondContact O-N 2.91Å; L230-T234 PolarHBondContact O-OG1 3.34Å; L230-V300 HydrophobicContact CB-CG1 4.14Å; L230-W344 HydrophobicContact CD2-CE3 4.02Å; L230-F348 HydrophobicContact CD1-CB 4.18Å; L230-F348 HydrophobicContact CD1-CD2 4.1Å; L230-M351 HydrophobicContact CD1-CE 4.36Å; L230-M351 HydrophobicContact CD1-SD 4.04Å |
| 231 | L | 83 | Confident | 78.2 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 19% | 0.188 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.4 | -52.6 | 175 | -177.3 | 58.2 | 0 | 0 | 0 | 110.6 | I227 I228 R233 T234 A235 L296 C299 V300 | I227-L231 VanDerWaalsContact O-CB 3.24Å; I227-L231 WeakPolarHBondContact O-CB 3.45Å; I227-L231 PolarHBondContact O-N 3.14Å; I228-L231 WeakPolarHBondContact O-CB 3.32Å; I228-L231 PolarHBondContact O-N 3.19Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 3.18Å; L231-T234 PolarHBondContact O-N 3.34Å; L231-A235 WeakPolarHBondContact O-CB 3.45Å; L231-A235 PolarHBondContact O-N 3.36Å; L231-L296 HydrophobicContact CD2-CD2 4.09Å; L231-C299 HydrophobicContact CD1-CB 3.76Å; L231-V300 HydrophobicContact CB-CG2 3.63Å; L231-V300 HydrophobicContact CD1-CG2 3.84Å; L231-V300 HydrophobicContact CG-CG2 4.24Å |
| 232 | V | 85.5 | Confident | 79.3 | Confident | 85 Ų | 85 | 51.9 Ų | 51.9 | 52% | 0.515 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 179.5 | 172.3 | 0 | 0 | 0 | 0 | 109.7 | I228 I229 T234 L236 | I228-V232 WeakPolarHBondContact O-CG2 3.22Å; I228-V232 PolarHBondContact O-N 3.04Å; I229-V232 PolarHBondContact O-N 2.9Å; V232-T234 PolarHBondContact O-N 3.05Å; V232-L236 HydrophobicContact CG1-CD1 4.16Å; V232-L236 WeakPolarHBondContact O-CD1 3.13Å; V232-L236 WeakPolarHBondContact O-CG 3.01Å; V232-L236 PolarHBondContact O-N 3.21Å |
| 233 | R | 83.6 | Confident | 79.8 | Confident | 66 Ų | 66 | 48.5 Ų | 48.5 | 25% | 0.249 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 180 | -179.5 | 58.8 | -175.4 | 143.4 | -0.6 | 112.6 | I229 L230 L231 L236 W344 | I229-R233 PolarHBondContact O-N 3.45Å; L230-R233 PolarHBondContact O-N 3.19Å; L231-R233 VanDerWaalsContact C-N 3.32Å; L231-R233 PolarHBondContact O-N 3.18Å; R233-L236 PolarHBondContact O-N 3.22Å; R233-W344 HydrophobicContact CB-CE3 4.43Å; R233-W344 HydrophobicContact CB-CH2 3.81Å; R233-W344 HydrophobicContact CB-CZ2 4.41Å; R233-W344 HydrophobicContact CB-CZ3 3.81Å; R233-W344 HydrophobicContact CG-CD2 4.26Å; R233-W344 HydrophobicContact CG-CE3 4.17Å; R233-W344 HydrophobicContact CG-CH2 3.6Å; R233-W344 HydrophobicContact CG-CZ2 3.69Å; R233-W344 HydrophobicContact CG-CZ3 3.85Å |
| 234 | T | 80.1 | Confident | 80.5 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.3 | -38.4 | -174.6 | -51 | 0 | 0 | 0 | 0 | 111.4 | L230 L231 V232 L236 L237 A240 C303 T304 | L230-T234 VanDerWaalsContact O-CB 3.23Å; L230-T234 WeakPolarHBondContact O-CB 3.26Å; L230-T234 PolarHBondContact O-N 2.91Å; L230-T234 PolarHBondContact O-OG1 3.34Å; L231-T234 PolarHBondContact O-N 3.34Å; V232-T234 PolarHBondContact O-N 3.05Å; T234-L236 PolarHBondContact O-N 3.48Å; T234-L237 HydrophobicContact CG2-CD1 4.33Å; T234-L237 WeakPolarHBondContact O-CB 3.38Å; T234-L237 PolarHBondContact O-N 2.86Å; T234-A240 WeakPolarHBondContact O-CB 3.32Å; T234-C303 HydrophobicContact CG2-CB 3.61Å; T234-T304 VanDerWaalsContact CG2-N 3.33Å; T234-T304 WeakPolarHBondContact CG2-OG1 3.43Å |
| 235 | A | 84.3 | Confident | 81.3 | Confident | 56 Ų | 56 | 53.1 Ų | 53.1 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.1 | -22.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L231 | L231-A235 WeakPolarHBondContact O-CB 3.45Å; L231-A235 PolarHBondContact O-N 3.36Å |
| 236 | L | 85.8 | Confident | 81.4 | Confident | 126 Ų | 126 | 54.1 Ų | 54.1 | 66% | 0.66 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -0.3 | 176.3 | -66.4 | 171.3 | 0 | 0 | 0 | 113.8 | V232 R233 T234 | V232-L236 HydrophobicContact CG1-CD1 4.16Å; V232-L236 WeakPolarHBondContact O-CD1 3.13Å; V232-L236 WeakPolarHBondContact O-CG 3.01Å; V232-L236 PolarHBondContact O-N 3.21Å; R233-L236 PolarHBondContact O-N 3.22Å; T234-L236 PolarHBondContact O-N 3.48Å |
| 237 | L | 83.9 | Confident | 81.5 | Confident | 20 Ų | 20 | 52.7 Ų | 52.7 | 11% | 0.105 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -84.4 | 147.5 | 176.8 | -62.4 | 171.8 | 0 | 0 | 0 | 111.2 | T234 G239 A240 Y307 M338 | T234-L237 HydrophobicContact CG2-CD1 4.33Å; T234-L237 WeakPolarHBondContact O-CB 3.38Å; T234-L237 PolarHBondContact O-N 2.86Å; L237-G239 PolarHBondContact O-N 2.78Å; L237-A240 WeakPolarHBondContact O-CB 3.48Å; L237-A240 PolarHBondContact O-N 3.12Å; L237-A240 VanDerWaalsContact O-N 3.13Å; L237-Y307 HydrophobicContact CB-CD1 4.49Å; L237-Y307 HydrophobicContact CB-CD2 3.81Å; L237-Y307 HydrophobicContact CB-CE2 4.22Å; L237-Y307 HydrophobicContact CB-CG 3.95Å; L237-Y307 HydrophobicContact CD1-CD1 3.68Å; L237-Y307 HydrophobicContact CD1-CD2 4.43Å; L237-Y307 HydrophobicContact CD1-CE1 3.92Å; L237-Y307 HydrophobicContact CD1-CG 3.97Å; L237-M338 HydrophobicContact CD1-CE 3.43Å; L237-M338 VanDerWaalsContact CD1-CE 3.43Å; L237-M338 HydrophobicContact CD1-CG 4.39Å; L237-M338 HydrophobicContact CD1-SD 4.02Å |
| 238 | D | 83.1 | Confident | 81.9 | Confident | 119 Ų | 119 | 56.6 Ų | 56.6 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 134.2 | 179.9 | -62.8 | -42.2 | 0 | 0 | 0 | 111.6 | A240 Y307 Y310 | D238-A240 PolarHBondContact O-N 2.82Å; D238-Y307 VanDerWaalsContact O-CD2 3.24Å; D238-Y307 WeakPolarHBondContact O-CD2 3.38Å; D238-Y310 HydrophobicContact CB-CD1 4.24Å; D238-Y310 HydrophobicContact CB-CE1 3.82Å |
| 239 | G | 81.2 | Confident | 82.2 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 12% | 0.124 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | -0.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L237 S241 N242 G306 | L237-G239 PolarHBondContact O-N 2.78Å; G239-S241 PolarHBondContact O-N 2.87Å; G239-N242 WeakPolarHBondContact O-CB 3.24Å; G239-N242 PolarHBondContact O-N 3.43Å; G239-G306 CarbonylContact O-C 3.44Å |
| 240 | A | 82 | Confident | 82.6 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 2% | 0.017 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57 | -34.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | T234 L237 D238 N242 G243 L244 C303 | T234-A240 WeakPolarHBondContact O-CB 3.32Å; L237-A240 WeakPolarHBondContact O-CB 3.48Å; L237-A240 PolarHBondContact O-N 3.12Å; L237-A240 VanDerWaalsContact O-N 3.13Å; D238-A240 PolarHBondContact O-N 2.82Å; A240-N242 VanDerWaalsContact C-N 3.29Å; A240-N242 PolarHBondContact O-N 3.43Å; A240-G243 PolarHBondContact O-N 3.13Å; A240-G243 VanDerWaalsContact O-N 3.12Å; A240-L244 PolarHBondContact O-N 3.36Å; A240-C303 HydrophobicContact CB-CB 4.18Å |
| 241 | S | 84 | Confident | 82.9 | Confident | 71 Ų | 71 | 61 Ų | 61 | 50% | 0.497 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.8 | -36.4 | 173.7 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | G239 G243 L244 I245 | G239-S241 PolarHBondContact O-N 2.87Å; S241-G243 VanDerWaalsContact C-N 3.29Å; S241-G243 PolarHBondContact O-N 3.05Å; S241-L244 PolarHBondContact O-N 3.17Å; S241-I245 WeakPolarHBondContact O-CB 2.85Å; S241-I245 VanDerWaalsContact O-CG1 3.24Å; S241-I245 WeakPolarHBondContact O-CG1 3.32Å; S241-I245 PolarHBondContact O-N 3.49Å |
| 242 | N | 81.9 | Confident | 83.4 | Confident | 71 Ų | 71 | 67 Ų | 67 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 175.9 | -67.9 | -25.7 | 0 | 0 | 0 | 110.7 | G239 A240 I245 H246 | G239-N242 WeakPolarHBondContact O-CB 3.24Å; G239-N242 PolarHBondContact O-N 3.43Å; A240-N242 VanDerWaalsContact C-N 3.29Å; A240-N242 PolarHBondContact O-N 3.43Å; N242-I245 PolarHBondContact O-N 3.15Å; N242-H246 PolarHBondContact O-N 2.99Å; N242-H246 PolarHBondContact O-ND1 3.08Å |
| 243 | G | 78.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A240 S241 I245 H246 Y247 F302 | A240-G243 PolarHBondContact O-N 3.13Å; A240-G243 VanDerWaalsContact O-N 3.12Å; S241-G243 VanDerWaalsContact C-N 3.29Å; S241-G243 PolarHBondContact O-N 3.05Å; G243-I245 VanDerWaalsContact C-N 3.35Å; G243-I245 PolarHBondContact O-N 3.14Å; G243-H246 PolarHBondContact O-N 3.3Å; G243-Y247 PolarHBondContact O-N 3.47Å; G243-F302 CarbonylContact C-O 3.34Å; G243-F302 WeakPolarHBondContact CA-O 3.21Å |
| 244 | L | 81.5 | Confident | 84.1 | Confident | 61 Ų | 61 | 66.4 Ų | 66.4 | 32% | 0.319 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 176 | -173.4 | 62.7 | 0 | 0 | 0 | 112.4 | A240 S241 Y247 L248 | A240-L244 PolarHBondContact O-N 3.36Å; S241-L244 PolarHBondContact O-N 3.17Å; L244-Y247 HydrophobicContact CD1-CD1 4.1Å; L244-Y247 WeakPolarHBondContact O-CB 3.36Å; L244-Y247 PolarHBondContact O-N 3.09Å; L244-L248 HydrophobicContact CD1-CD1 3.9Å; L244-L248 HydrophobicContact CD1-CG 4.25Å; L244-L248 HydrophobicContact CG-CD1 4.11Å; L244-L248 PolarHBondContact O-N 3.31Å |
| 245 | I | 83.5 | Confident | 84.7 | Confident | 95 Ų | 95 | 68.2 Ų | 68.2 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 173.6 | -70.4 | 164.8 | 0 | 0 | 0 | 109.7 | S241 N242 G243 Y247 L248 K249 | S241-I245 WeakPolarHBondContact O-CB 2.85Å; S241-I245 VanDerWaalsContact O-CG1 3.24Å; S241-I245 WeakPolarHBondContact O-CG1 3.32Å; S241-I245 PolarHBondContact O-N 3.49Å; N242-I245 PolarHBondContact O-N 3.15Å; G243-I245 VanDerWaalsContact C-N 3.35Å; G243-I245 PolarHBondContact O-N 3.14Å; I245-Y247 VanDerWaalsContact C-N 3.26Å; I245-Y247 PolarHBondContact O-N 3.31Å; I245-L248 PolarHBondContact O-N 3.08Å; I245-K249 HydrophobicContact CG2-CB 4.32Å; I245-K249 HydrophobicContact CG2-CD 4.43Å; I245-K249 WeakPolarHBondContact O-CA 3.33Å; I245-K249 WeakPolarHBondContact O-CB 3.22Å; I245-K249 PolarHBondContact O-N 2.76Å |
| 246 | H | 77.3 | Confident | 85.1 | Confident | 99 Ų | 99 | 71.6 Ų | 71.6 | 46% | 0.458 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.3 | -30.1 | 176.7 | -76.3 | 84.2 | 0 | 0 | 0 | 113 | N242 G243 L316 | N242-H246 PolarHBondContact O-N 2.99Å; N242-H246 PolarHBondContact O-ND1 3.08Å; G243-H246 PolarHBondContact O-N 3.3Å; H246-L316 HydrophobicContact CB-CD1 3.57Å; H246-L316 WeakPolarHBondContact ND1-CD1 3.45Å |
| 247 | Y | 76.6 | Confident | 85.4 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 173.1 | -177.3 | -143.8 | 0 | 0 | 0 | 112.6 | C52 G57 G58 G243 L244 I245 F302 | C52-Y247 HydrophobicContact CB-CD2 4.19Å; C52-Y247 HydrophobicContact CB-CE2 3.88Å; G57-Y247 CarbonylContact C-O 3.39Å; G57-Y247 VanDerWaalsContact CA-O 3.29Å; G57-Y247 WeakPolarHBondContact CA-O 3.19Å; G58-Y247 PolarHBondContact N-O 3.05Å; G243-Y247 PolarHBondContact O-N 3.47Å; L244-Y247 HydrophobicContact CD1-CD1 4.1Å; L244-Y247 WeakPolarHBondContact O-CB 3.36Å; L244-Y247 PolarHBondContact O-N 3.09Å; I245-Y247 VanDerWaalsContact C-N 3.26Å; I245-Y247 PolarHBondContact O-N 3.31Å; Y247-F302 VanDerWaalsContact CB-CD1 3.47Å; Y247-F302 HydrophobicContact CD1-CB 4.38Å; Y247-F302 HydrophobicContact CD1-CD2 4.1Å; Y247-F302 HydrophobicContact CD1-CG 4.35Å; Y247-F302 HydrophobicContact CD2-CB 4.5Å; Y247-F302 HydrophobicContact CD2-CD1 4.01Å; Y247-F302 AromaticContact CD2-CD2 3.12Å; Y247-F302 HydrophobicContact CD2-CD2 3.12Å; Y247-F302 AromaticContact CD2-CE1 3.86Å; Y247-F302 HydrophobicContact CD2-CE1 3.86Å; Y247-F302 AromaticContact CD2-CE2 2.97Å; Y247-F302 HydrophobicContact CD2-CE2 2.97Å; Y247-F302 AromaticContact CD2-CG 3.64Å; Y247-F302 HydrophobicContact CD2-CG 3.64Å; Y247-F302 AromaticContact CD2-CZ 3.36Å; Y247-F302 HydrophobicContact CD2-CZ 3.36Å; Y247-F302 AromaticContact CE2-CD2 3.63Å; Y247-F302 HydrophobicContact CE2-CD2 3.63Å; Y247-F302 AromaticContact CE2-CE2 3.32Å; Y247-F302 HydrophobicContact CE2-CE2 3.32Å; Y247-F302 HydrophobicContact CE2-CZ 4.02Å; Y247-F302 HydrophobicContact CG-CB 3.89Å; Y247-F302 HydrophobicContact CG-CD1 4Å; Y247-F302 AromaticContact CG-CD2 3.37Å; Y247-F302 HydrophobicContact CG-CD2 3.37Å; Y247-F302 HydrophobicContact CG-CE1 4.3Å; Y247-F302 AromaticContact CG-CE2 3.75Å; Y247-F302 HydrophobicContact CG-CE2 3.75Å; Y247-F302 AromaticContact CG-CG 3.5Å; Y247-F302 HydrophobicContact CG-CG 3.5Å; Y247-F302 VanDerWaalsContact CG-CG 3.5Å; Y247-F302 HydrophobicContact CG-CZ 4.19Å |
| 248 | L | 82.9 | Confident | 85.8 | Confident | 91 Ų | 91 | 72 Ų | 72 | 48% | 0.476 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -97.3 | -22.3 | -167.6 | -64.5 | 179 | 0 | 0 | 0 | 113.1 | L61 L244 I245 P250 | L61-L248 HydrophobicContact CD1-CD2 4.47Å; L244-L248 HydrophobicContact CD1-CD1 3.9Å; L244-L248 HydrophobicContact CD1-CG 4.25Å; L244-L248 HydrophobicContact CG-CD1 4.11Å; L244-L248 PolarHBondContact O-N 3.31Å; I245-L248 PolarHBondContact O-N 3.08Å; L248-P250 VanDerWaalsContact O-CD 3.23Å; L248-P250 WeakPolarHBondContact O-CD 3.38Å |
| 249 | K | 85.8 | Confident | 86.2 | Confident | 149 Ų | 149 | 67.9 Ų | 67.9 | 65% | 0.648 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -69.8 | 115.6 | 177.9 | -174.4 | 176.9 | -178.9 | -177.8 | 0 | 108.6 | G58 I245 | G58-K249 PolarHBondContact N-O 2.94Å; I245-K249 HydrophobicContact CG2-CB 4.32Å; I245-K249 HydrophobicContact CG2-CD 4.43Å; I245-K249 WeakPolarHBondContact O-CA 3.33Å; I245-K249 WeakPolarHBondContact O-CB 3.22Å; I245-K249 PolarHBondContact O-N 2.76Å |
| 250 | P | 88.3 | Confident | 86.7 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -76.8 | 129.5 | -178.8 | 29.6 | -31.9 | 0 | 0 | 0 | 110.7 | A59 L248 W252 | A59-P250 HydrophobicContact CB-CB 4.04Å; L248-P250 VanDerWaalsContact O-CD 3.23Å; L248-P250 WeakPolarHBondContact O-CD 3.38Å; P250-W252 HydrophobicContact CB-CD2 4.07Å; P250-W252 HydrophobicContact CB-CE3 4.37Å; P250-W252 HydrophobicContact CB-CH2 4.12Å; P250-W252 HydrophobicContact CB-CZ2 3.79Å; P250-W252 HydrophobicContact CB-CZ3 4.41Å; P250-W252 HydrophobicContact CG-CD2 4.25Å; P250-W252 VanDerWaalsContact CG-CE2 3.43Å; P250-W252 HydrophobicContact CG-CH2 4Å; P250-W252 HydrophobicContact CG-CZ2 3.28Å |
| 251 | D | 88.2 | Confident | 87.3 | Confident | 71 Ų | 71 | 70.9 Ų | 70.9 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | trans | -89 | 96.3 | 158.6 | -179.4 | 1.1 | 0 | 0 | 0 | 108.9 | G56 A59 S253 K254 | G56-D251 PolarHBondContact O-N 2.82Å; A59-D251 VanDerWaalsContact CB-O 3.28Å; A59-D251 WeakPolarHBondContact CB-O 3.35Å; D251-S253 VanDerWaalsContact CG-OG 3.28Å; D251-S253 PolarHBondContact O-N 2.97Å; D251-S253 WeakPolarHBondContact OD1-CB 3.28Å; D251-S253 PolarHBondContact OD1-N 3.09Å; D251-S253 VanDerWaalsContact OD1-N 3.15Å; D251-S253 PolarHBondContact OD1-OG 3.43Å; D251-S253 PolarHBondContact OD2-OG 3.34Å; D251-K254 HydrophobicContact CB-CG 4.2Å; D251-K254 WeakPolarHBondContact O-CB 3.41Å; D251-K254 PolarHBondContact O-N 3.3Å | ||
| 252 | W | 92.5 | Very high | 87.6 | Confident | 161 Ų | 161 | 67.5 Ų | 67.5 | 61% | 0.61 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -62 | -25.1 | -175.8 | -59.3 | 109.5 | 0 | 0 | 0 | 113.8 | I62 P250 K254 L255 | I62-W252 HydrophobicContact CD1-CE3 4.46Å; I62-W252 HydrophobicContact CD1-CH2 4.09Å; I62-W252 HydrophobicContact CD1-CZ3 3.47Å; I62-W252 VanDerWaalsContact CD1-CZ3 3.47Å; P250-W252 HydrophobicContact CB-CD2 4.07Å; P250-W252 HydrophobicContact CB-CE3 4.37Å; P250-W252 HydrophobicContact CB-CH2 4.12Å; P250-W252 HydrophobicContact CB-CZ2 3.79Å; P250-W252 HydrophobicContact CB-CZ3 4.41Å; P250-W252 HydrophobicContact CG-CD2 4.25Å; P250-W252 VanDerWaalsContact CG-CE2 3.43Å; P250-W252 HydrophobicContact CG-CH2 4Å; P250-W252 HydrophobicContact CG-CZ2 3.28Å; W252-K254 PolarHBondContact O-N 2.88Å; W252-L255 HydrophobicContact CE3-CD1 3.74Å; W252-L255 HydrophobicContact CZ3-CD1 4.12Å; W252-L255 PolarHBondContact O-N 2.51Å |
| 253 | S | 93.6 | Very high | 88 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 49% | 0.49 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -61.9 | -31.5 | 179.2 | 71.8 | 0 | 0 | 0 | 0 | 111.7 | D251 L255 T256 | D251-S253 VanDerWaalsContact CG-OG 3.28Å; D251-S253 PolarHBondContact O-N 2.97Å; D251-S253 WeakPolarHBondContact OD1-CB 3.28Å; D251-S253 PolarHBondContact OD1-N 3.09Å; D251-S253 VanDerWaalsContact OD1-N 3.15Å; D251-S253 PolarHBondContact OD1-OG 3.43Å; D251-S253 PolarHBondContact OD2-OG 3.34Å; S253-L255 PolarHBondContact O-N 3.07Å; S253-T256 PolarHBondContact O-N 3.15Å; S253-T256 PolarHBondContact O-OG1 2.87Å |
| 254 | K | 90.7 | Very high | 88.5 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 30% | 0.3 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -65.9 | -21.3 | 179.6 | -70.7 | -68.6 | -174.3 | 178.3 | 0 | 113.9 | D251 W252 T256 D257 V260 | D251-K254 HydrophobicContact CB-CG 4.2Å; D251-K254 WeakPolarHBondContact O-CB 3.41Å; D251-K254 PolarHBondContact O-N 3.3Å; W252-K254 PolarHBondContact O-N 2.88Å; K254-T256 PolarHBondContact O-N 3.25Å; K254-D257 WeakPolarHBondContact O-CB 3.39Å; K254-D257 PolarHBondContact O-N 2.57Å; K254-D257 VanDerWaalsContact O-N 3.11Å; K254-V260 HydrophobicContact CB-CG2 4.16Å; K254-V260 VanDerWaalsContact O-CG2 3.24Å; K254-V260 WeakPolarHBondContact O-CG2 3.33Å |
| 255 | L | 92.6 | Very high | 88.9 | Confident | 43 Ų | 43 | 62.8 Ų | 62.8 | 23% | 0.225 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -67.5 | -18.8 | 176.5 | -67.2 | -179.8 | 0 | 0 | 0 | 113.7 | A59 I62 P63 W252 S253 D257 W261 | A59-L255 HydrophobicContact CB-CD2 4.26Å; A59-L255 HydrophobicContact CB-CG 4.27Å; A59-L255 WeakPolarHBondContact O-CD2 3.46Å; I62-L255 HydrophobicContact CD1-CD1 4.14Å; P63-L255 HydrophobicContact CG-CD2 4.46Å; W252-L255 HydrophobicContact CE3-CD1 3.74Å; W252-L255 HydrophobicContact CZ3-CD1 4.12Å; W252-L255 PolarHBondContact O-N 2.51Å; S253-L255 PolarHBondContact O-N 3.07Å; L255-D257 VanDerWaalsContact C-N 3.29Å; L255-W261 PolarHBondContact O-NE1 3.11Å |
| 256 | T | 93.6 | Very high | 89.2 | Confident | 128 Ų | 128 | 58.7 Ų | 58.7 | 79% | 0.785 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -78.5 | -16.1 | 175.2 | 65 | 0 | 0 | 0 | 0 | 112.9 | S253 K254 | S253-T256 PolarHBondContact O-N 3.15Å; S253-T256 PolarHBondContact O-OG1 2.87Å; K254-T256 PolarHBondContact O-N 3.25Å |
| 257 | D | 92.2 | Very high | 89.5 | Confident | 59 Ų | 59 | 54 Ų | 54 | 32% | 0.316 | 27% | 0.272 | S | S | . | . | trans | -86.8 | 122 | -177.9 | -173.7 | -18.9 | 0 | 0 | 0 | 110.4 | K254 L255 T259 V260 | K254-D257 WeakPolarHBondContact O-CB 3.39Å; K254-D257 PolarHBondContact O-N 2.57Å; K254-D257 VanDerWaalsContact O-N 3.11Å; L255-D257 VanDerWaalsContact C-N 3.29Å; D257-T259 PolarHBondContact O-N 2.98Å; D257-T259 WeakPolarHBondContact OD1-CB 3.24Å; D257-T259 WeakPolarHBondContact OD1-CG2 3.13Å; D257-T259 PolarHBondContact OD1-N 3.39Å; D257-T259 PolarHBondContact OD1-OG1 2.91Å; D257-T259 PolarHBondContact OD2-OG1 2.82Å; D257-T259 VanDerWaalsContact OD2-OG1 3.08Å; D257-V260 HydrophobicContact CB-CG2 4.05Å; D257-V260 WeakPolarHBondContact O-CB 3.24Å; D257-V260 PolarHBondContact O-N 3.4Å | ||
| 258 | M | 92.2 | Very high | 89.9 | Confident | 95 Ų | 95 | 53.9 Ų | 53.9 | 47% | 0.468 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.1 | -24.7 | -179.9 | -68.7 | -172.3 | -71.1 | 0 | 0 | 113.2 | V260 W261 S262 I478 I481 V482 | M258-V260 PolarHBondContact O-N 3.32Å; M258-W261 PolarHBondContact O-N 3.47Å; M258-S262 PolarHBondContact O-N 2.95Å; M258-I478 HydrophobicContact CB-CG2 3.92Å; M258-I478 WeakPolarHBondContact O-CG2 3.4Å; M258-I481 HydrophobicContact CE-CG2 4.32Å; M258-V482 HydrophobicContact CB-CG1 4.12Å |
| 259 | T | 91.1 | Very high | 90.2 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 20% | 0.202 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.4 | -36.2 | 176.5 | 63 | 0 | 0 | 0 | 0 | 111.3 | D257 W261 S262 D263 V482 | D257-T259 PolarHBondContact O-N 2.98Å; D257-T259 WeakPolarHBondContact OD1-CB 3.24Å; D257-T259 WeakPolarHBondContact OD1-CG2 3.13Å; D257-T259 PolarHBondContact OD1-N 3.39Å; D257-T259 PolarHBondContact OD1-OG1 2.91Å; D257-T259 PolarHBondContact OD2-OG1 2.82Å; D257-T259 VanDerWaalsContact OD2-OG1 3.08Å; T259-W261 PolarHBondContact O-N 3.13Å; T259-S262 PolarHBondContact O-N 3.46Å; T259-D263 VanDerWaalsContact O-CB 3.32Å; T259-D263 WeakPolarHBondContact O-CB 3.13Å; T259-D263 PolarHBondContact O-N 2.6Å; T259-V482 HydrophobicContact CG2-CB 4Å; T259-V482 HydrophobicContact CG2-CG1 4.06Å; T259-V482 HydrophobicContact CG2-CG2 4.48Å |
| 260 | V | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 179 | 173.3 | 0 | 0 | 0 | 0 | 111 | N55 F60 P63 K254 D257 M258 A264 | N55-V260 HydrophobicContact CB-CB 4.26Å; N55-V260 HydrophobicContact CB-CG1 4.01Å; N55-V260 HydrophobicContact CB-CG2 3.78Å; F60-V260 HydrophobicContact CD2-CG1 4.28Å; P63-V260 HydrophobicContact CG-CG1 3.99Å; K254-V260 HydrophobicContact CB-CG2 4.16Å; K254-V260 VanDerWaalsContact O-CG2 3.24Å; K254-V260 WeakPolarHBondContact O-CG2 3.33Å; D257-V260 HydrophobicContact CB-CG2 4.05Å; D257-V260 WeakPolarHBondContact O-CB 3.24Å; D257-V260 PolarHBondContact O-N 3.4Å; M258-V260 PolarHBondContact O-N 3.32Å; V260-A264 VanDerWaalsContact O-CB 3.22Å; V260-A264 WeakPolarHBondContact O-CB 3.35Å; V260-A264 PolarHBondContact O-N 2.83Å |
| 261 | W | 93.5 | Very high | 89.6 | Confident | 76 Ų | 76 | 41.5 Ų | 41.5 | 29% | 0.288 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.8 | -41.9 | 176.7 | -69.4 | 87.2 | 0 | 0 | 0 | 112.2 | P63 I66 L255 M258 T259 G265 L475 | P63-W261 HydrophobicContact CB-CD2 3.71Å; P63-W261 HydrophobicContact CB-CE3 3.45Å; P63-W261 VanDerWaalsContact CB-CE3 3.45Å; P63-W261 HydrophobicContact CB-CG 4.32Å; P63-W261 HydrophobicContact CB-CH2 4.19Å; P63-W261 HydrophobicContact CB-CZ2 4.41Å; P63-W261 HydrophobicContact CB-CZ3 3.71Å; I66-W261 HydrophobicContact CD1-CH2 3.81Å; I66-W261 HydrophobicContact CD1-CZ3 3.98Å; I66-W261 HydrophobicContact CG2-CZ3 4.43Å; L255-W261 PolarHBondContact O-NE1 3.11Å; M258-W261 PolarHBondContact O-N 3.47Å; T259-W261 PolarHBondContact O-N 3.13Å; W261-G265 PolarHBondContact O-N 3.17Å; W261-L475 WeakPolarHBondContact O-CD2 3.48Å |
| 262 | S | 91 | Very high | 89.1 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -48.7 | 176.2 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | M258 T259 G265 T266 | M258-S262 PolarHBondContact O-N 2.95Å; T259-S262 PolarHBondContact O-N 3.46Å; S262-G265 PolarHBondContact O-N 3.38Å; S262-T266 VanDerWaalsContact O-CB 3.26Å; S262-T266 WeakPolarHBondContact O-CB 3.4Å; S262-T266 PolarHBondContact O-N 3.19Å; S262-T266 PolarHBondContact O-OG1 3.5Å |
| 263 | D | 90.3 | Very high | 88.7 | Confident | 32 Ų | 32 | 33.4 Ų | 33.4 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | -179.4 | -80.9 | -6.1 | 0 | 0 | 0 | 110.6 | L51 K54 N55 F60 T259 Q267 | L51-D263 HydrophobicContact CD2-CB 4.08Å; K54-D263 IonicContact NZ-OD2 3.42Å; K54-D263 PolarHBondContact NZ-OD2 3.07Å; N55-D263 WeakPolarHBondContact ND2-CB 3.32Å; N55-D263 PolarHBondContact ND2-OD2 3.49Å; N55-D263 VanDerWaalsContact ND2-OD2 3.1Å; F60-D263 HydrophobicContact CE2-CB 4.09Å; T259-D263 VanDerWaalsContact O-CB 3.32Å; T259-D263 WeakPolarHBondContact O-CB 3.13Å; T259-D263 PolarHBondContact O-N 2.6Å; D263-Q267 WeakPolarHBondContact O-CB 3.4Å; D263-Q267 PolarHBondContact O-N 3.43Å |
| 264 | A | 89.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.7 | -47.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | F60 P63 V260 Q267 I268 | F60-A264 HydrophobicContact CD2-CB 4.02Å; F60-A264 VanDerWaalsContact CE2-CA 3.46Å; F60-A264 HydrophobicContact CE2-CB 3.52Å; F60-A264 VanDerWaalsContact CZ-CA 3.49Å; F60-A264 HydrophobicContact CZ-CB 3.83Å; P63-A264 HydrophobicContact CB-CB 3.87Å; P63-A264 HydrophobicContact CG-CB 3.92Å; V260-A264 VanDerWaalsContact O-CB 3.22Å; V260-A264 WeakPolarHBondContact O-CB 3.35Å; V260-A264 PolarHBondContact O-N 2.83Å; A264-Q267 PolarHBondContact O-N 3.24Å; A264-I268 PolarHBondContact O-N 3.3Å |
| 265 | G | 89.2 | Confident | 88.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.2 | -48.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S67 W261 S262 Q267 I268 F269 | S67-G265 WeakPolarHBondContact OG-CA 3.48Å; W261-G265 PolarHBondContact O-N 3.17Å; S262-G265 PolarHBondContact O-N 3.38Å; G265-Q267 VanDerWaalsContact C-N 3.32Å; G265-Q267 PolarHBondContact O-N 3.1Å; G265-I268 PolarHBondContact O-N 2.99Å; G265-F269 WeakPolarHBondContact O-CD2 3.5Å |
| 266 | T | 89.1 | Confident | 88.3 | Confident | 10 Ų | 10 | 25 Ų | 25 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 178.1 | -56 | 0 | 0 | 0 | 0 | 111.7 | S262 I268 F269 F270 S421 | S262-T266 VanDerWaalsContact O-CB 3.26Å; S262-T266 WeakPolarHBondContact O-CB 3.4Å; S262-T266 PolarHBondContact O-N 3.19Å; S262-T266 PolarHBondContact O-OG1 3.5Å; T266-I268 VanDerWaalsContact C-N 3.27Å; T266-I268 PolarHBondContact O-N 3.37Å; T266-F269 PolarHBondContact O-N 2.91Å; T266-F270 HydrophobicContact CG2-CD2 4.18Å; T266-F270 HydrophobicContact CG2-CE2 3.95Å; T266-F270 WeakPolarHBondContact O-CD2 3.37Å; T266-F270 PolarHBondContact O-N 3.18Å; T266-S421 VanDerWaalsContact CG2-O 3.23Å; T266-S421 WeakPolarHBondContact CG2-O 3.37Å |
| 267 | Q | 85.3 | Confident | 88.1 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.2 | -37.4 | 177.1 | -176.2 | 60.8 | 33.4 | 0 | 0 | 111.5 | N44 F48 L51 Y64 D263 A264 G265 F269 F270 S271 | N44-Q267 PolarHBondContact OD1-NE2 2.71Å; F48-Q267 HydrophobicContact CB-CG 4.37Å; F48-Q267 HydrophobicContact CD2-CG 4.11Å; L51-Q267 HydrophobicContact CD1-CB 3.85Å; L51-Q267 HydrophobicContact CD1-CG 4Å; Y64-Q267 HydrophobicContact CE2-CG 4.07Å; D263-Q267 WeakPolarHBondContact O-CB 3.4Å; D263-Q267 PolarHBondContact O-N 3.43Å; A264-Q267 PolarHBondContact O-N 3.24Å; G265-Q267 VanDerWaalsContact C-N 3.32Å; G265-Q267 PolarHBondContact O-N 3.1Å; Q267-F269 VanDerWaalsContact C-N 3.34Å; Q267-F269 PolarHBondContact O-N 2.58Å; Q267-F270 PolarHBondContact O-N 3.18Å; Q267-S271 PolarHBondContact NE2-OG 3.35Å; Q267-S271 WeakPolarHBondContact O-CB 3.28Å; Q267-S271 PolarHBondContact O-N 3.15Å; Q267-S271 PolarHBondContact O-OG 3.44Å |
| 268 | I | 84.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 176.8 | -70 | -54 | 0 | 0 | 0 | 112.9 | Y64 V68 A264 G265 T266 F270 S271 Y272 | Y64-I268 HydrophobicContact CD1-CD1 4.09Å; Y64-I268 HydrophobicContact CD2-CD1 3.56Å; Y64-I268 HydrophobicContact CD2-CG1 4.08Å; Y64-I268 HydrophobicContact CE1-CD1 3.75Å; Y64-I268 HydrophobicContact CE2-CD1 3.19Å; Y64-I268 HydrophobicContact CE2-CG1 4.09Å; Y64-I268 HydrophobicContact CG-CD1 4Å; V68-I268 HydrophobicContact CG2-CD1 3.39Å; V68-I268 HydrophobicContact CG2-CG1 4.19Å; A264-I268 PolarHBondContact O-N 3.3Å; G265-I268 PolarHBondContact O-N 2.99Å; T266-I268 VanDerWaalsContact C-N 3.27Å; T266-I268 PolarHBondContact O-N 3.37Å; I268-F270 VanDerWaalsContact C-N 3.3Å; I268-F270 PolarHBondContact O-N 3.25Å; I268-S271 PolarHBondContact O-N 3.36Å; I268-Y272 HydrophobicContact CD1-CE2 4.47Å; I268-Y272 HydrophobicContact CG2-CD2 4.07Å; I268-Y272 WeakPolarHBondContact O-CB 3.43Å; I268-Y272 PolarHBondContact O-N 3.25Å |
| 269 | F | 88.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.2 | -40.6 | 177.5 | -80.8 | -112.3 | 0 | 0 | 0 | 111.4 | A71 L75 G265 T266 Q267 S273 I274 I424 L425 L475 | A71-F269 HydrophobicContact CB-CE2 3.91Å; A71-F269 HydrophobicContact CB-CZ 4.22Å; L75-F269 HydrophobicContact CD1-CE1 3.69Å; L75-F269 HydrophobicContact CD1-CZ 3.66Å; G265-F269 WeakPolarHBondContact O-CD2 3.5Å; T266-F269 PolarHBondContact O-N 2.91Å; Q267-F269 VanDerWaalsContact C-N 3.34Å; Q267-F269 PolarHBondContact O-N 2.58Å; F269-S273 CarbonylContact O-C 3.47Å; F269-S273 VanDerWaalsContact O-CA 3.3Å; F269-S273 WeakPolarHBondContact O-CA 3.48Å; F269-S273 PolarHBondContact O-N 3.22Å; F269-I274 HydrophobicContact CD1-CB 4.09Å; F269-I274 HydrophobicContact CD1-CG2 3.68Å; F269-I274 HydrophobicContact CE1-CG2 3.92Å; F269-I274 PolarHBondContact O-N 3.44Å; F269-I424 HydrophobicContact CB-CD1 4.37Å; F269-I424 HydrophobicContact CB-CG2 3.7Å; F269-I424 HydrophobicContact CD1-CB 4.46Å; F269-I424 HydrophobicContact CD1-CG1 4.23Å; F269-I424 HydrophobicContact CD1-CG2 3.88Å; F269-I424 HydrophobicContact CG-CG2 4.05Å; F269-L425 HydrophobicContact CD1-CD2 4.23Å; F269-L425 HydrophobicContact CD2-CD2 3.68Å; F269-L425 HydrophobicContact CE1-CD2 4.09Å; F269-L425 HydrophobicContact CE2-CD2 3.55Å; F269-L425 HydrophobicContact CG-CD2 4.02Å; F269-L425 HydrophobicContact CZ-CD2 3.76Å; F269-L475 HydrophobicContact CE2-CD1 4.26Å |
| 270 | F | 82.7 | Confident | 87.5 | Confident | 17 Ų | 17 | 10.1 Ų | 10.1 | 8% | 0.075 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -69.9 | -45.4 | 172.6 | -74.9 | -69.3 | 0 | 0 | 0 | 113 | L114 T266 Q267 I268 Y272 S273 S421 | L114-F270 HydrophobicContact CD2-CE1 4.31Å; T266-F270 HydrophobicContact CG2-CD2 4.18Å; T266-F270 HydrophobicContact CG2-CE2 3.95Å; T266-F270 WeakPolarHBondContact O-CD2 3.37Å; T266-F270 PolarHBondContact O-N 3.18Å; Q267-F270 PolarHBondContact O-N 3.18Å; I268-F270 VanDerWaalsContact C-N 3.3Å; I268-F270 PolarHBondContact O-N 3.25Å; F270-Y272 VanDerWaalsContact C-N 3.31Å; F270-Y272 PolarHBondContact O-N 2.79Å; F270-S273 WeakPolarHBondContact O-CA 3.42Å; F270-S273 PolarHBondContact O-N 2.97Å; F270-S273 PolarHBondContact O-OG 3.46Å; F270-S421 VanDerWaalsContact CE2-CA 3.45Å; F270-S421 VanDerWaalsContact CZ-CA 3.41Å |
| 271 | S | 79.8 | Confident | 87.3 | Confident | 6 Ų | 6 | 10.1 Ų | 10.1 | 4% | 0.042 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -63.6 | -33.6 | -177.7 | -62.7 | 0 | 0 | 0 | 0 | 112.9 | S39 N44 Q267 I268 | S39-S271 CarbonylContact C-O 3.58Å; S39-S271 VanDerWaalsContact CA-O 3.24Å; S39-S271 WeakPolarHBondContact CA-O 3.5Å; S39-S271 WeakPolarHBondContact CB-O 3.43Å; N44-S271 WeakPolarHBondContact OD1-CB 3.31Å; N44-S271 PolarHBondContact OD1-OG 3.13Å; Q267-S271 PolarHBondContact NE2-OG 3.35Å; Q267-S271 WeakPolarHBondContact O-CB 3.28Å; Q267-S271 PolarHBondContact O-N 3.15Å; Q267-S271 PolarHBondContact O-OG 3.44Å; I268-S271 PolarHBondContact O-N 3.36Å |
| 272 | Y | 77 | Confident | 86.7 | Confident | 56 Ų | 56 | 6.5 Ų | 6.5 | 22% | 0.22 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -5.1 | 173.4 | -80.9 | -110.8 | 0 | 0 | 0 | 112.1 | V68 I73 F76 I268 F270 I274 | V68-Y272 HydrophobicContact CG1-CE2 4.5Å; V68-Y272 WeakPolarHBondContact CG1-OH 3.45Å; V68-Y272 HydrophobicContact CG2-CE2 4.23Å; I73-Y272 HydrophobicContact CG1-CE1 4.26Å; F76-Y272 HydrophobicContact CB-CD1 3.93Å; F76-Y272 HydrophobicContact CD2-CD1 4.03Å; F76-Y272 HydrophobicContact CG-CD1 4.18Å; I268-Y272 HydrophobicContact CD1-CE2 4.47Å; I268-Y272 HydrophobicContact CG2-CD2 4.07Å; I268-Y272 WeakPolarHBondContact O-CB 3.43Å; I268-Y272 PolarHBondContact O-N 3.25Å; F270-Y272 VanDerWaalsContact C-N 3.31Å; F270-Y272 PolarHBondContact O-N 2.79Å; Y272-I274 HydrophobicContact CG-CD1 4.41Å; Y272-I274 PolarHBondContact O-N 3.22Å |
| 273 | S | 83.3 | Confident | 86 | Confident | 5 Ų | 5 | 6.5 Ų | 6.5 | 4% | 0.035 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 39 | -178.2 | -51.4 | 0 | 0 | 0 | 0 | 113.9 | F38 F269 F270 | F38-S273 WeakPolarHBondContact CD1-OG 3.39Å; F38-S273 WeakPolarHBondContact CE1-OG 3.42Å; F269-S273 CarbonylContact O-C 3.47Å; F269-S273 VanDerWaalsContact O-CA 3.3Å; F269-S273 WeakPolarHBondContact O-CA 3.48Å; F269-S273 PolarHBondContact O-N 3.22Å; F270-S273 WeakPolarHBondContact O-CA 3.42Å; F270-S273 PolarHBondContact O-N 2.97Å; F270-S273 PolarHBondContact O-OG 3.46Å |
| 274 | I | 88.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 144.3 | 178.9 | -69.9 | 159.4 | 0 | 0 | 0 | 109.4 | L75 E79 F269 Y272 L276 I424 | L75-I274 HydrophobicContact CB-CD1 3.86Å; L75-I274 HydrophobicContact CB-CG1 4.03Å; L75-I274 HydrophobicContact CB-CG2 3.77Å; L75-I274 HydrophobicContact CD1-CD1 4.4Å; L75-I274 HydrophobicContact CD1-CG2 3.71Å; L75-I274 HydrophobicContact CG-CG2 4.29Å; E79-I274 VanDerWaalsContact OE1-CA 3.22Å; E79-I274 WeakPolarHBondContact OE1-CA 3.47Å; E79-I274 WeakPolarHBondContact OE1-CG2 3.42Å; F269-I274 HydrophobicContact CD1-CB 4.09Å; F269-I274 HydrophobicContact CD1-CG2 3.68Å; F269-I274 HydrophobicContact CE1-CG2 3.92Å; F269-I274 PolarHBondContact O-N 3.44Å; Y272-I274 HydrophobicContact CG-CD1 4.41Å; Y272-I274 PolarHBondContact O-N 3.22Å; I274-L276 VanDerWaalsContact C-N 3.26Å; I274-L276 PolarHBondContact O-N 3.2Å; I274-I424 WeakPolarHBondContact O-CD1 3.48Å; I274-I424 WeakPolarHBondContact O-CG1 3.44Å |
| 275 | G | 90 | Very high | 85.1 | Confident | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 15.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E79 C107 | E79-G275 PolarHBondContact OE1-N 3.49Å; C107-G275 WeakPolarHBondContact CA-O 3.29Å; C107-G275 WeakPolarHBondContact CB-O 3.06Å; C107-G275 PolarHBondContact SG-O 2.89Å; C107-G275 VanDerWaalsContact SG-O 3.39Å |
| 276 | L | 90.9 | Very high | 84.1 | Confident | 5 Ų | 5 | 6.7 Ų | 6.7 | 3% | 0.026 | 3% | 0.03 | C | C | . | . | S | Bend | trans | -101.4 | -9.4 | 174.3 | -59 | -176.4 | 0 | 0 | 0 | 112.6 | F38 I110 N111 L114 I274 V278 I424 | F38-L276 HydrophobicContact CE1-CD1 4.32Å; F38-L276 HydrophobicContact CZ-CD1 3.82Å; I110-L276 HydrophobicContact CB-CD2 4.4Å; I110-L276 HydrophobicContact CG2-CD2 3.54Å; N111-L276 HydrophobicContact CB-CB 4.38Å; N111-L276 WeakPolarHBondContact CB-O 3.4Å; L114-L276 HydrophobicContact CD1-CD2 3.99Å; L114-L276 HydrophobicContact CD2-CD1 3.91Å; L114-L276 HydrophobicContact CD2-CD2 4.15Å; I274-L276 VanDerWaalsContact C-N 3.26Å; I274-L276 PolarHBondContact O-N 3.2Å; L276-V278 HydrophobicContact CB-CG2 4.19Å; L276-V278 PolarHBondContact O-N 3.22Å; L276-V278 VanDerWaalsContact O-N 3.15Å; L276-I424 HydrophobicContact CD2-CD1 4Å; L276-I424 HydrophobicContact CG-CD1 4.33Å |
| 277 | G | 88.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | S | Bend | trans | 73.4 | -3.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | T280 A281 | G277-T280 WeakPolarHBondContact O-CB 3.01Å; G277-T280 PolarHBondContact O-N 3.31Å; G277-A281 PolarHBondContact O-N 3.15Å |
| 278 | V | 89.2 | Confident | 80.1 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.7 | -40.7 | 177.2 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | F38 L276 T280 A281 F282 A362 | F38-V278 HydrophobicContact CD1-CB 4.18Å; F38-V278 HydrophobicContact CD1-CG1 3.67Å; F38-V278 HydrophobicContact CE1-CB 3.41Å; F38-V278 VanDerWaalsContact CE1-CB 3.41Å; F38-V278 HydrophobicContact CE1-CG1 3.38Å; F38-V278 HydrophobicContact CE1-CG2 3.8Å; F38-V278 HydrophobicContact CE2-CG1 4.39Å; F38-V278 HydrophobicContact CE2-CG2 4.45Å; F38-V278 HydrophobicContact CG-CG1 4.27Å; F38-V278 HydrophobicContact CZ-CB 3.8Å; F38-V278 HydrophobicContact CZ-CG1 3.83Å; F38-V278 HydrophobicContact CZ-CG2 3.6Å; L276-V278 HydrophobicContact CB-CG2 4.19Å; L276-V278 PolarHBondContact O-N 3.22Å; L276-V278 VanDerWaalsContact O-N 3.15Å; V278-T280 VanDerWaalsContact C-N 3.3Å; V278-T280 PolarHBondContact O-N 2.96Å; V278-A281 CarbonylContact O-C 3.52Å; V278-A281 WeakPolarHBondContact O-CB 3.22Å; V278-A281 PolarHBondContact O-N 3.44Å; V278-A281 VanDerWaalsContact O-N 3.13Å; V278-F282 HydrophobicContact CG1-CD1 4.41Å; V278-F282 HydrophobicContact CG1-CD2 4.26Å; V278-F282 HydrophobicContact CG1-CE1 4.2Å; V278-F282 HydrophobicContact CG1-CE2 4.05Å; V278-F282 HydrophobicContact CG1-CG 4.48Å; V278-F282 HydrophobicContact CG1-CZ 4.05Å; V278-F282 PolarHBondContact O-N 3.16Å; V278-A362 HydrophobicContact CG1-CB 3.81Å; V278-A362 WeakPolarHBondContact CG1-O 3.32Å |
| 279 | L | 86.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.1 | -38 | 176 | -63 | 179.1 | 0 | 0 | 0 | 111.7 | F76 E79 V80 F282 G283 | F76-L279 HydrophobicContact CB-CD1 4.32Å; F76-L279 HydrophobicContact CD2-CD1 3.46Å; F76-L279 VanDerWaalsContact CD2-CD1 3.46Å; F76-L279 HydrophobicContact CD2-CD2 3.82Å; F76-L279 HydrophobicContact CD2-CG 4.29Å; F76-L279 HydrophobicContact CE2-CD1 4.02Å; F76-L279 HydrophobicContact CE2-CD2 3.44Å; F76-L279 VanDerWaalsContact CE2-CD2 3.44Å; F76-L279 HydrophobicContact CE2-CG 4.37Å; F76-L279 HydrophobicContact CG-CD1 4.11Å; F76-L279 HydrophobicContact CZ-CD2 4.26Å; E79-L279 HydrophobicContact CB-CB 3.84Å; E79-L279 HydrophobicContact CB-CD1 4.34Å; V80-L279 HydrophobicContact CG2-CB 4.14Å; L279-F282 PolarHBondContact O-N 3.15Å; L279-G283 PolarHBondContact O-N 3.27Å |
| 280 | T | 89.2 | Confident | 75.6 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.6 | -45.9 | 171.3 | -43.3 | 0 | 0 | 0 | 0 | 111 | V82 G83 V90 A93 G277 V278 G283 S284 | V82-T280 HydrophobicContact CG1-CG2 4.4Å; G83-T280 VanDerWaalsContact CA-CG2 3.47Å; G83-T280 VanDerWaalsContact CA-O 3.26Å; G83-T280 WeakPolarHBondContact CA-O 3.42Å; V90-T280 HydrophobicContact CB-CG2 4.44Å; A93-T280 HydrophobicContact CB-CG2 3.59Å; G277-T280 WeakPolarHBondContact O-CB 3.01Å; G277-T280 PolarHBondContact O-N 3.31Å; V278-T280 VanDerWaalsContact C-N 3.3Å; V278-T280 PolarHBondContact O-N 2.96Å; T280-G283 PolarHBondContact O-N 3.24Å; T280-S284 WeakPolarHBondContact O-CB 3.16Å; T280-S284 PolarHBondContact O-N 3.22Å |
| 281 | A | 87.1 | Confident | 73.1 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G277 V278 G283 S284 Y285 A369 | G277-A281 PolarHBondContact O-N 3.15Å; V278-A281 CarbonylContact O-C 3.52Å; V278-A281 WeakPolarHBondContact O-CB 3.22Å; V278-A281 PolarHBondContact O-N 3.44Å; V278-A281 VanDerWaalsContact O-N 3.13Å; A281-G283 PolarHBondContact O-N 3.32Å; A281-S284 WeakPolarHBondContact O-CB 3.43Å; A281-S284 PolarHBondContact O-N 3.36Å; A281-S284 PolarHBondContact O-OG 3.33Å; A281-Y285 WeakPolarHBondContact O-CD2 3.35Å; A281-Y285 PolarHBondContact O-N 3.15Å; A281-A369 HydrophobicContact CB-CB 3.7Å |
| 282 | F | 81.9 | Confident | 70.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -42.4 | 177.5 | -73.1 | -4.8 | 0 | 0 | 0 | 112.8 | W25 F31 F38 V278 L279 S284 Y285 N286 A362 | W25-F282 HydrophobicContact CH2-CD1 4.26Å; W25-F282 HydrophobicContact CH2-CE1 4.26Å; W25-F282 HydrophobicContact CZ2-CB 4.23Å; W25-F282 AromaticContact CZ2-CD1 3.89Å; W25-F282 HydrophobicContact CZ2-CD1 3.89Å; W25-F282 HydrophobicContact CZ2-CE1 4.35Å; W25-F282 HydrophobicContact CZ2-CG 4.08Å; W25-F282 PolarHBondContact NE1-O 2.89Å; F31-F282 HydrophobicContact CD2-CB 3.94Å; F31-F282 HydrophobicContact CE2-CB 3.67Å; F38-F282 HydrophobicContact CB-CE2 4.36Å; V278-F282 HydrophobicContact CG1-CD1 4.41Å; V278-F282 HydrophobicContact CG1-CD2 4.26Å; V278-F282 HydrophobicContact CG1-CE1 4.2Å; V278-F282 HydrophobicContact CG1-CE2 4.05Å; V278-F282 HydrophobicContact CG1-CG 4.48Å; V278-F282 HydrophobicContact CG1-CZ 4.05Å; V278-F282 PolarHBondContact O-N 3.16Å; L279-F282 PolarHBondContact O-N 3.15Å; F282-S284 VanDerWaalsContact C-N 3.26Å; F282-S284 PolarHBondContact O-N 3.08Å; F282-Y285 PolarHBondContact O-N 2.92Å; F282-Y285 VanDerWaalsContact O-N 3.11Å; F282-N286 PolarHBondContact O-N 3.46Å; F282-N286 PolarHBondContact O-OD1 3.28Å; F282-A362 HydrophobicContact CE1-CB 4.2Å; F282-A362 HydrophobicContact CE2-CB 3.95Å; F282-A362 HydrophobicContact CZ-CB 3.35Å |
| 283 | G | 76.7 | Confident | 68.4 | Low | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -36.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q84 L279 T280 A281 Y285 N286 | Q84-G283 VanDerWaalsContact CA-O 3.3Å; Q84-G283 WeakPolarHBondContact CA-O 3.45Å; Q84-G283 WeakPolarHBondContact CB-O 3.37Å; L279-G283 PolarHBondContact O-N 3.27Å; T280-G283 PolarHBondContact O-N 3.24Å; A281-G283 PolarHBondContact O-N 3.32Å; G283-Y285 PolarHBondContact O-N 3.39Å; G283-N286 WeakPolarHBondContact O-CB 3.17Å; G283-N286 PolarHBondContact O-N 2.88Å; G283-N286 VanDerWaalsContact O-N 3.07Å |
| 284 | S | 81.7 | Confident | 66.4 | Low | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -17.6 | 176.9 | 83 | 0 | 0 | 0 | 0 | 114.2 | R22 G83 R87 R88 T280 A281 F282 | R22-S284 PolarHBondContact NE-OG 3.09Å; R22-S284 PolarHBondContact NH2-OG 2.95Å; R22-S284 VanDerWaalsContact NH2-OG 3.15Å; G83-S284 WeakPolarHBondContact O-CA 3.26Å; G83-S284 WeakPolarHBondContact O-CB 3.36Å; R87-S284 PolarHBondContact NE-O 3.47Å; R87-S284 VanDerWaalsContact NE-O 3.17Å; R87-S284 PolarHBondContact NH1-O 3.4Å; R87-S284 VanDerWaalsContact NH1-O 3.15Å; R87-S284 PolarHBondContact NH2-O 3.46Å; R87-S284 VanDerWaalsContact NH2-O 3.1Å; R88-S284 WeakPolarHBondContact O-CB 3.5Å; T280-S284 WeakPolarHBondContact O-CB 3.16Å; T280-S284 PolarHBondContact O-N 3.22Å; A281-S284 WeakPolarHBondContact O-CB 3.43Å; A281-S284 PolarHBondContact O-N 3.36Å; A281-S284 PolarHBondContact O-OG 3.33Å; F282-S284 VanDerWaalsContact C-N 3.26Å; F282-S284 PolarHBondContact O-N 3.08Å |
| 285 | Y | 78.8 | Confident | 64.1 | Low | 28 Ų | 28 | 49.1 Ų | 49.1 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -95.5 | -12.5 | 175.4 | -61.7 | -49 | 0 | 0 | 0 | 113.2 | R22 A23 Q24 W25 A281 F282 G283 E365 | R22-Y285 HydrophobicContact CG-CD1 3.8Å; R22-Y285 HydrophobicContact CG-CE1 3.57Å; R22-Y285 PolarHBondContact NH2-OH 3.17Å; A23-Y285 HydrophobicContact CB-CD1 4.41Å; A23-Y285 HydrophobicContact CB-CE1 4.32Å; A23-Y285 WeakPolarHBondContact O-CD1 3.4Å; Q24-Y285 WeakPolarHBondContact CA-O 3.38Å; W25-Y285 VanDerWaalsContact CD1-O 3.23Å; W25-Y285 HydrophobicContact CZ2-CD2 4.41Å; W25-Y285 PolarHBondContact N-O 2.87Å; W25-Y285 VanDerWaalsContact NE1-CB 3.29Å; A281-Y285 WeakPolarHBondContact O-CD2 3.35Å; A281-Y285 PolarHBondContact O-N 3.15Å; F282-Y285 PolarHBondContact O-N 2.92Å; F282-Y285 VanDerWaalsContact O-N 3.11Å; G283-Y285 PolarHBondContact O-N 3.39Å; Y285-E365 HydrophobicContact CE2-CG 4.06Å; Y285-E365 VanDerWaalsContact CE2-OE1 3.26Å; Y285-E365 WeakPolarHBondContact CE2-OE1 3.27Å; Y285-E365 PolarHBondContact OH-OE1 2.98Å |
| 286 | N | 66.7 | Low | 61.9 | Low | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 137.6 | -174.5 | -80.7 | -11 | 0 | 0 | 0 | 115.8 | W25 F31 Q84 R87 F282 G283 | W25-N286 PolarHBondContact NE1-OD1 3.28Å; F31-N286 WeakPolarHBondContact CB-OD1 3.34Å; F31-N286 WeakPolarHBondContact CD1-ND2 3.48Å; F31-N286 VanDerWaalsContact CD2-CG 3.43Å; F31-N286 VanDerWaalsContact CD2-ND2 3.25Å; F31-N286 WeakPolarHBondContact CD2-ND2 3.47Å; F31-N286 WeakPolarHBondContact CD2-OD1 2.86Å; F31-N286 VanDerWaalsContact CE1-ND2 3.26Å; F31-N286 WeakPolarHBondContact CE1-ND2 3.39Å; F31-N286 WeakPolarHBondContact CE2-ND2 3.38Å; F31-N286 WeakPolarHBondContact CG-ND2 3.13Å; F31-N286 WeakPolarHBondContact CG-OD1 3.2Å; F31-N286 WeakPolarHBondContact CZ-ND2 3.49Å; Q84-N286 HydrophobicContact CG-CB 4.32Å; R87-N286 PolarHBondContact NH1-O 3.32Å; F282-N286 PolarHBondContact O-N 3.46Å; F282-N286 PolarHBondContact O-OD1 3.28Å; G283-N286 WeakPolarHBondContact O-CB 3.17Å; G283-N286 PolarHBondContact O-N 2.88Å; G283-N286 VanDerWaalsContact O-N 3.07Å |
| 287 | K | 54.6 | Low | 60 | Low | 139 Ų | 139 | 54.2 Ų | 54.2 | 60% | 0.604 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -94.3 | 144.4 | 142.4 | -66.5 | -176.6 | -176.8 | 175.1 | 0 | 107.2 | Q289 | K287-Q289 PolarHBondContact O-N 3.44Š|
| 288 | I | 37.2 | Very low | 58.2 | Low | 84 Ų | 84 | 54.3 Ų | 54.3 | 43% | 0.431 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -51.8 | 122.3 | -167.3 | -61.5 | 152.3 | 0 | 0 | 0 | 112.2 | M451 Y452 | I288-M451 WeakPolarHBondContact CD1-O 3.08Å; I288-M451 HydrophobicContact CG1-CB 4.4Å; I288-M451 WeakPolarHBondContact CG1-O 2.87Å; I288-M451 WeakPolarHBondContact CG2-O 3.13Å; I288-Y452 HydrophobicContact CG2-CD1 4.03Å |
| 289 | Q | 35.3 | Very low | 56.7 | Low | 140 Ų | 140 | 56 Ų | 56 | 65% | 0.654 | 28% | 0.277 | S | S | * | . | trans | 144.7 | 136.3 | 139.5 | -73.1 | -165.4 | -6.4 | 0 | 0 | 116.6 | K287 | K287-Q289 PolarHBondContact O-N 3.44Š| ||
| 290 | H | 42.6 | Very low | 55.2 | Low | 134 Ų | 134 | 56.5 Ų | 56.5 | 62% | 0.62 | 28% | 0.28 | S | S | * | . | trans | 95.7 | 162.6 | 145.4 | -154.1 | -95.2 | 0 | 0 | 0 | 122.6 | L32 | L32-H290 HydrophobicContact CD1-CB 4.32Å; L32-H290 WeakPolarHBondContact CD2-O 3.05Å | ||
| 291 | N | 29.6 | Very low | 53.8 | Low | 109 Ų | 109 | 56.4 Ų | 56.4 | 58% | 0.583 | 28% | 0.279 | S | S | * | . | trans | -110.4 | 165.1 | -158.3 | -70.7 | -26.1 | 0 | 0 | 0 | 116.9 | ||||
| 292 | S | 30.2 | Very low | 52.7 | Low | 73 Ų | 73 | 56.5 Ų | 56.5 | 51% | 0.51 | 28% | 0.279 | S | S | . | . | trans | -157.5 | 154 | 162.2 | -80.2 | 0 | 0 | 0 | 0 | 115.8 | M36 | M36-S292 WeakPolarHBondContact SD-CB 3.25Å; M36-S292 PolarHBondContact SD-OG 3.49Å | ||
| 293 | F | 28 | Very low | 52.1 | Low | 176 Ų | 176 | 56.7 Ų | 56.7 | 77% | 0.772 | 28% | 0.281 | S | S | * | . | trans | -119.6 | 145.4 | -170 | 173.6 | -93.8 | 0 | 0 | 0 | 111.6 | L295 | F293-L295 HydrophobicContact CZ-CD1 3.98Š| ||
| 294 | R | 42.3 | Very low | 51.2 | Low | 64 Ų | 64 | 56.9 Ų | 56.9 | 24% | 0.242 | 28% | 0.282 | C | S | . | . | trans | -147.6 | 137.1 | -179.6 | -59.8 | -170.1 | 76.6 | -111 | -2.8 | 114.8 | I40 | I40-R294 VanDerWaalsContact CB-CZ 3.46Å; I40-R294 VanDerWaalsContact CG1-NH1 3.27Å; I40-R294 VanDerWaalsContact CG2-CZ 3.41Å | ||
| 295 | L | 40 | Very low | 50.3 | Low | 67 Ų | 67 | 57.1 Ų | 57.1 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | trans | -153.5 | 10.5 | 171.3 | -111.1 | 151.5 | 0 | 0 | 0 | 115.8 | F65 F293 | F65-L295 HydrophobicContact CE1-CD1 3.76Å; F65-L295 HydrophobicContact CE1-CG 4.39Å; F65-L295 HydrophobicContact CZ-CD1 3.6Å; F65-L295 HydrophobicContact CZ-CD2 4.04Å; F65-L295 HydrophobicContact CZ-CG 4.21Å; F293-L295 HydrophobicContact CZ-CD1 3.98Å | ||
| 296 | L | 43.6 | Very low | 49.4 | Very low | 101 Ų | 101 | 55.8 Ų | 55.8 | 53% | 0.529 | 28% | 0.278 | S | S | . | . | trans | -87.1 | -17.1 | -169.1 | -91.8 | 154.3 | 0 | 0 | 0 | 116.4 | L231 G298 | L231-L296 HydrophobicContact CD2-CD2 4.09Å; L296-G298 PolarHBondContact O-N 3.21Å | ||
| 297 | S | 51 | Low | 49.5 | Very low | 12 Ų | 12 | 56.7 Ų | 56.7 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -74.6 | -26.5 | -174.2 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | N44 I301 | N44-S297 PolarHBondContact O-OG 2.93Å; S297-I301 WeakPolarHBondContact O-CG1 3.26Å |
| 298 | G | 50.3 | Low | 49.6 | Very low | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.6 | -37.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L296 V300 I301 F302 | L296-G298 PolarHBondContact O-N 3.21Å; G298-V300 PolarHBondContact O-N 3.45Å; G298-I301 PolarHBondContact O-N 3.17Å; G298-F302 WeakPolarHBondContact O-CD2 3.24Å; G298-F302 PolarHBondContact O-N 3.5Å |
| 299 | C | 58.4 | Low | 51 | Low | 36 Ų | 36 | 47.4 Ų | 47.4 | 24% | 0.243 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | -172.4 | -62.2 | 0 | 0 | 0 | 0 | 113.4 | L231 I301 C303 | L231-C299 HydrophobicContact CD1-CB 3.76Å; C299-I301 PolarHBondContact O-N 2.9Å; C299-C303 WeakPolarHBondContact O-CB 3.44Å; C299-C303 PolarHBondContact O-N 3.08Å; C299-C303 PolarHBondContact O-SG 3.41Å |
| 300 | V | 54.4 | Low | 52.6 | Low | 11 Ų | 11 | 47.2 Ų | 47.2 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59 | -38.5 | -179.4 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | I227 L230 L231 G298 T304 | I227-V300 HydrophobicContact CG2-CG2 3.93Å; L230-V300 HydrophobicContact CB-CG1 4.14Å; L231-V300 HydrophobicContact CB-CG2 3.63Å; L231-V300 HydrophobicContact CD1-CG2 3.84Å; L231-V300 HydrophobicContact CG-CG2 4.24Å; G298-V300 PolarHBondContact O-N 3.45Å; V300-T304 PolarHBondContact O-N 3.14Å; V300-T304 VanDerWaalsContact O-N 3.16Å; V300-T304 PolarHBondContact O-OG1 3.08Å |
| 301 | I | 58.6 | Low | 53.8 | Low | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -73.9 | -49.1 | -169.9 | -41.1 | -136.9 | 0 | 0 | 0 | 111.1 | V45 P49 S297 G298 C299 T304 L305 L326 Y331 | V45-I301 WeakPolarHBondContact O-CD1 3.37Å; P49-I301 HydrophobicContact CB-CB 3.64Å; P49-I301 HydrophobicContact CB-CD1 3.76Å; P49-I301 HydrophobicContact CB-CG1 3.83Å; P49-I301 HydrophobicContact CB-CG2 3.63Å; P49-I301 HydrophobicContact CG-CB 3.99Å; P49-I301 HydrophobicContact CG-CD1 3.33Å; P49-I301 HydrophobicContact CG-CG1 3.57Å; P49-I301 HydrophobicContact CG-CG2 4.36Å; S297-I301 WeakPolarHBondContact O-CG1 3.26Å; G298-I301 PolarHBondContact O-N 3.17Å; C299-I301 PolarHBondContact O-N 2.9Å; I301-T304 WeakPolarHBondContact O-CB 3.11Å; I301-T304 PolarHBondContact O-N 3.13Å; I301-T304 VanDerWaalsContact O-N 3.09Å; I301-L305 HydrophobicContact CG2-CD1 4.29Å; I301-L305 WeakPolarHBondContact O-CG 3.35Å; I301-L305 PolarHBondContact O-N 3.18Å; I301-L326 HydrophobicContact CG2-CD2 4.04Å; I301-Y331 WeakPolarHBondContact CA-OH 3.2Å; I301-Y331 WeakPolarHBondContact CB-OH 3.4Å; I301-Y331 HydrophobicContact CD1-CE2 4.21Å; I301-Y331 WeakPolarHBondContact CD1-OH 3.21Å; I301-Y331 WeakPolarHBondContact CG1-OH 3.4Å; I301-Y331 HydrophobicContact CG2-CE2 4.06Å; I301-Y331 WeakPolarHBondContact CG2-OH 3.35Å |
| 302 | F | 63.8 | Low | 55.3 | Low | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.4 | -36.1 | -179.1 | -80.2 | -90.1 | 0 | 0 | 0 | 112.3 | P49 C52 Y53 G243 Y247 G298 T304 L305 G306 | P49-F302 HydrophobicContact CB-CD2 4Å; P49-F302 HydrophobicContact CB-CE2 3.56Å; P49-F302 HydrophobicContact CB-CZ 4.46Å; P49-F302 VanDerWaalsContact O-CE2 3.3Å; P49-F302 WeakPolarHBondContact O-CE2 3.23Å; P49-F302 WeakPolarHBondContact O-CZ 3.41Å; C52-F302 HydrophobicContact CB-CE2 3.84Å; C52-F302 HydrophobicContact CB-CZ 3.62Å; Y53-F302 AromaticContact CD2-CE1 3.98Å; Y53-F302 HydrophobicContact CD2-CE1 3.98Å; Y53-F302 HydrophobicContact CG-CE1 4.37Å; G243-F302 CarbonylContact C-O 3.34Å; G243-F302 WeakPolarHBondContact CA-O 3.21Å; Y247-F302 VanDerWaalsContact CB-CD1 3.47Å; Y247-F302 HydrophobicContact CD1-CB 4.38Å; Y247-F302 HydrophobicContact CD1-CD2 4.1Å; Y247-F302 HydrophobicContact CD1-CG 4.35Å; Y247-F302 HydrophobicContact CD2-CB 4.5Å; Y247-F302 HydrophobicContact CD2-CD1 4.01Å; Y247-F302 AromaticContact CD2-CD2 3.12Å; Y247-F302 HydrophobicContact CD2-CD2 3.12Å; Y247-F302 AromaticContact CD2-CE1 3.86Å; Y247-F302 HydrophobicContact CD2-CE1 3.86Å; Y247-F302 AromaticContact CD2-CE2 2.97Å; Y247-F302 HydrophobicContact CD2-CE2 2.97Å; Y247-F302 AromaticContact CD2-CG 3.64Å; Y247-F302 HydrophobicContact CD2-CG 3.64Å; Y247-F302 AromaticContact CD2-CZ 3.36Å; Y247-F302 HydrophobicContact CD2-CZ 3.36Å; Y247-F302 AromaticContact CE2-CD2 3.63Å; Y247-F302 HydrophobicContact CE2-CD2 3.63Å; Y247-F302 AromaticContact CE2-CE2 3.32Å; Y247-F302 HydrophobicContact CE2-CE2 3.32Å; Y247-F302 HydrophobicContact CE2-CZ 4.02Å; Y247-F302 HydrophobicContact CG-CB 3.89Å; Y247-F302 HydrophobicContact CG-CD1 4Å; Y247-F302 AromaticContact CG-CD2 3.37Å; Y247-F302 HydrophobicContact CG-CD2 3.37Å; Y247-F302 HydrophobicContact CG-CE1 4.3Å; Y247-F302 AromaticContact CG-CE2 3.75Å; Y247-F302 HydrophobicContact CG-CE2 3.75Å; Y247-F302 AromaticContact CG-CG 3.5Å; Y247-F302 HydrophobicContact CG-CG 3.5Å; Y247-F302 VanDerWaalsContact CG-CG 3.5Å; Y247-F302 HydrophobicContact CG-CZ 4.19Å; G298-F302 WeakPolarHBondContact O-CD2 3.24Å; G298-F302 PolarHBondContact O-N 3.5Å; F302-T304 PolarHBondContact O-N 3.33Å; F302-L305 PolarHBondContact O-N 3Å; F302-G306 PolarHBondContact O-N 2.74Å |
| 303 | C | 70.4 | Confident | 57.1 | Low | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.034 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.2 | -40.8 | 169.5 | -70 | 0 | 0 | 0 | 0 | 111.3 | T234 A240 C299 G306 Y307 | T234-C303 HydrophobicContact CG2-CB 3.61Å; A240-C303 HydrophobicContact CB-CB 4.18Å; C299-C303 WeakPolarHBondContact O-CB 3.44Å; C299-C303 PolarHBondContact O-N 3.08Å; C299-C303 PolarHBondContact O-SG 3.41Å; C303-G306 PolarHBondContact O-N 3.09Å; C303-Y307 PolarHBondContact O-N 3.07Å; C303-Y307 VanDerWaalsContact O-N 3.08Å |
| 304 | T | 57.4 | Low | 59 | Low | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.7 | -46.1 | 178.7 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | T234 V300 I301 F302 G306 Y307 M308 Y331 A334 | T234-T304 VanDerWaalsContact CG2-N 3.33Å; T234-T304 WeakPolarHBondContact CG2-OG1 3.43Å; V300-T304 PolarHBondContact O-N 3.14Å; V300-T304 VanDerWaalsContact O-N 3.16Å; V300-T304 PolarHBondContact O-OG1 3.08Å; I301-T304 WeakPolarHBondContact O-CB 3.11Å; I301-T304 PolarHBondContact O-N 3.13Å; I301-T304 VanDerWaalsContact O-N 3.09Å; F302-T304 PolarHBondContact O-N 3.33Å; T304-G306 VanDerWaalsContact C-N 3.33Å; T304-G306 PolarHBondContact O-N 3.16Å; T304-Y307 PolarHBondContact O-N 2.61Å; T304-M308 WeakPolarHBondContact O-CG 3.4Å; T304-M308 PolarHBondContact O-N 3.28Å; T304-Y331 HydrophobicContact CG2-CD1 3.83Å; T304-Y331 HydrophobicContact CG2-CE1 3.83Å; T304-A334 HydrophobicContact CG2-CB 3.34Å |
| 305 | L | 63.3 | Low | 60.3 | Low | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 176.5 | -69.5 | 175.2 | 0 | 0 | 0 | 112 | I301 F302 M308 S309 L316 I319 L326 V330 | I301-L305 HydrophobicContact CG2-CD1 4.29Å; I301-L305 WeakPolarHBondContact O-CG 3.35Å; I301-L305 PolarHBondContact O-N 3.18Å; F302-L305 PolarHBondContact O-N 3Å; L305-M308 WeakPolarHBondContact O-CB 3.47Å; L305-M308 PolarHBondContact O-N 3.48Å; L305-S309 WeakPolarHBondContact O-CB 3.25Å; L305-S309 PolarHBondContact O-N 3.48Å; L305-L316 VanDerWaalsContact C-CD2 3.46Å; L305-L316 HydrophobicContact CB-CD2 3.67Å; L305-L316 WeakPolarHBondContact O-CD2 3.39Å; L305-I319 HydrophobicContact CD2-CG2 4.25Å; L305-L326 HydrophobicContact CD1-CD1 4.5Å; L305-L326 HydrophobicContact CD2-CD1 4.07Å; L305-V330 HydrophobicContact CD2-CG1 3.49Å; L305-V330 VanDerWaalsContact CD2-CG1 3.49Å |
| 306 | G | 60.6 | Low | 61.3 | Low | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.9 | -49 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | G239 F302 C303 T304 M308 S309 Y310 | G239-G306 CarbonylContact O-C 3.44Å; F302-G306 PolarHBondContact O-N 2.74Å; C303-G306 PolarHBondContact O-N 3.09Å; T304-G306 VanDerWaalsContact C-N 3.33Å; T304-G306 PolarHBondContact O-N 3.16Å; G306-M308 VanDerWaalsContact C-N 3.33Å; G306-M308 PolarHBondContact O-N 3.08Å; G306-S309 PolarHBondContact O-N 2.83Å; G306-Y310 WeakPolarHBondContact O-CB 3.15Å; G306-Y310 PolarHBondContact O-N 3.28Å |
| 307 | Y | 68.1 | Low | 62.2 | Low | 28 Ų | 28 | 34.1 Ų | 34.1 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.7 | -46.3 | 172.8 | 171.6 | -120.4 | 0 | 0 | 0 | 111 | L237 D238 C303 T304 S309 Y310 I311 T337 | L237-Y307 HydrophobicContact CB-CD1 4.49Å; L237-Y307 HydrophobicContact CB-CD2 3.81Å; L237-Y307 HydrophobicContact CB-CE2 4.22Å; L237-Y307 HydrophobicContact CB-CG 3.95Å; L237-Y307 HydrophobicContact CD1-CD1 3.68Å; L237-Y307 HydrophobicContact CD1-CD2 4.43Å; L237-Y307 HydrophobicContact CD1-CE1 3.92Å; L237-Y307 HydrophobicContact CD1-CG 3.97Å; D238-Y307 VanDerWaalsContact O-CD2 3.24Å; D238-Y307 WeakPolarHBondContact O-CD2 3.38Å; C303-Y307 PolarHBondContact O-N 3.07Å; C303-Y307 VanDerWaalsContact O-N 3.08Å; T304-Y307 PolarHBondContact O-N 2.61Å; Y307-S309 PolarHBondContact O-N 3.38Å; Y307-Y310 PolarHBondContact O-N 3.12Å; Y307-I311 HydrophobicContact CD2-CG2 3.76Å; Y307-I311 HydrophobicContact CE1-CD1 4.08Å; Y307-I311 HydrophobicContact CE2-CG2 3.34Å; Y307-I311 WeakPolarHBondContact O-CG1 3.39Å; Y307-I311 PolarHBondContact O-N 3.32Å; Y307-T337 WeakPolarHBondContact CE1-OG1 3.33Å; Y307-T337 PolarHBondContact OH-OG1 2.7Å; Y307-T337 VanDerWaalsContact OH-OG1 3.07Å |
| 308 | M | 57.3 | Low | 62.5 | Low | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 175.9 | -75.2 | -59.9 | 101.5 | 0 | 0 | 113.4 | T304 L305 G306 Y310 I311 S312 I319 K333 A334 T337 | T304-M308 WeakPolarHBondContact O-CG 3.4Å; T304-M308 PolarHBondContact O-N 3.28Å; L305-M308 WeakPolarHBondContact O-CB 3.47Å; L305-M308 PolarHBondContact O-N 3.48Å; G306-M308 VanDerWaalsContact C-N 3.33Å; G306-M308 PolarHBondContact O-N 3.08Å; M308-Y310 VanDerWaalsContact C-N 3.34Å; M308-I311 HydrophobicContact CE-CD1 3.24Å; M308-I311 HydrophobicContact CE-CG1 4.05Å; M308-I311 WeakPolarHBondContact O-CG1 3.49Å; M308-I311 HydrophobicContact SD-CD1 4.01Å; M308-S312 WeakPolarHBondContact O-CB 3.35Å; M308-S312 PolarHBondContact O-N 3.36Å; M308-S312 PolarHBondContact O-OG 2.77Å; M308-I319 HydrophobicContact CB-CD1 4.33Å; M308-I319 HydrophobicContact CB-CG2 4.48Å; M308-K333 HydrophobicContact SD-CG 4.49Å; M308-A334 HydrophobicContact CE-CB 3.41Å; M308-A334 VanDerWaalsContact CE-CB 3.41Å; M308-A334 HydrophobicContact CG-CB 3.55Å; M308-A334 WeakPolarHBondContact SD-CA 3.34Å; M308-A334 HydrophobicContact SD-CB 3.51Å; M308-A334 VanDerWaalsContact SD-CB 3.51Å; M308-T337 HydrophobicContact CE-CG2 4.44Å |
| 309 | S | 66.2 | Low | 62.9 | Low | 24 Ų | 24 | 40.9 Ų | 40.9 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.8 | -41.1 | 177.6 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | L305 G306 Y307 N313 I314 | L305-S309 WeakPolarHBondContact O-CB 3.25Å; L305-S309 PolarHBondContact O-N 3.48Å; G306-S309 PolarHBondContact O-N 2.83Å; Y307-S309 PolarHBondContact O-N 3.38Å; S309-N313 WeakPolarHBondContact O-CA 3.43Å; S309-N313 PolarHBondContact O-N 3.32Å; S309-I314 WeakPolarHBondContact CA-O 3.4Å; S309-I314 WeakPolarHBondContact CB-O 3.44Å; S309-I314 PolarHBondContact O-N 3.29Å; S309-I314 PolarHBondContact OG-O 3.47Å |
| 310 | Y | 67.9 | Low | 62.9 | Low | 136 Ų | 136 | 40 Ų | 40 | 53% | 0.533 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.8 | -51.3 | 176.5 | 178 | -105.7 | 0 | 0 | 0 | 112.1 | D238 G306 Y307 M308 | D238-Y310 HydrophobicContact CB-CD1 4.24Å; D238-Y310 HydrophobicContact CB-CE1 3.82Å; G306-Y310 WeakPolarHBondContact O-CB 3.15Å; G306-Y310 PolarHBondContact O-N 3.28Å; Y307-Y310 PolarHBondContact O-N 3.12Å; M308-Y310 VanDerWaalsContact C-N 3.34Å |
| 311 | I | 68 | Low | 63.3 | Low | 39 Ų | 39 | 41.5 Ų | 41.5 | 20% | 0.2 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.2 | -34 | -178.6 | 67 | 173.8 | 0 | 0 | 0 | 112.5 | F154 Y307 M308 N313 T337 | F154-I311 HydrophobicContact CD1-CD1 4.36Å; F154-I311 HydrophobicContact CE1-CB 4.19Å; F154-I311 HydrophobicContact CE1-CD1 3.54Å; F154-I311 HydrophobicContact CE1-CG1 3.79Å; F154-I311 HydrophobicContact CZ-CB 4.1Å; F154-I311 HydrophobicContact CZ-CD1 3.9Å; F154-I311 HydrophobicContact CZ-CG1 3.65Å; F154-I311 WeakPolarHBondContact CZ-O 2.94Å; Y307-I311 HydrophobicContact CD2-CG2 3.76Å; Y307-I311 HydrophobicContact CE1-CD1 4.08Å; Y307-I311 HydrophobicContact CE2-CG2 3.34Å; Y307-I311 WeakPolarHBondContact O-CG1 3.39Å; Y307-I311 PolarHBondContact O-N 3.32Å; M308-I311 HydrophobicContact CE-CD1 3.24Å; M308-I311 HydrophobicContact CE-CG1 4.05Å; M308-I311 WeakPolarHBondContact O-CG1 3.49Å; M308-I311 HydrophobicContact SD-CD1 4.01Å; I311-N313 VanDerWaalsContact C-N 3.34Å; I311-T337 HydrophobicContact CD1-CG2 3.8Å |
| 312 | S | 61.8 | Low | 63.7 | Low | 22 Ų | 22 | 44.5 Ų | 44.5 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -82.8 | -15 | -176.7 | -51.6 | 0 | 0 | 0 | 0 | 112.7 | F154 M308 I314 | F154-S312 WeakPolarHBondContact CE2-OG 3.23Å; M308-S312 WeakPolarHBondContact O-CB 3.35Å; M308-S312 PolarHBondContact O-N 3.36Å; M308-S312 PolarHBondContact O-OG 2.77Å; S312-I314 WeakPolarHBondContact O-CG1 3.41Å; S312-I314 PolarHBondContact O-N 3.14Å; S312-I314 VanDerWaalsContact O-N 3.11Å |
| 313 | N | 68.6 | Low | 64.3 | Low | 151 Ų | 151 | 44.9 Ų | 44.9 | 81% | 0.807 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 29.6 | -167.5 | -161 | 36.6 | 0 | 0 | 0 | 112.7 | S309 I311 | S309-N313 WeakPolarHBondContact O-CA 3.43Å; S309-N313 PolarHBondContact O-N 3.32Å; I311-N313 VanDerWaalsContact C-N 3.34Å |
| 314 | I | 67.4 | Low | 65 | Low | 60 Ų | 60 | 44.9 Ų | 44.9 | 31% | 0.308 | 24% | 0.239 | S | C | . | . | trans | -107.1 | 130.1 | 178.3 | -67.1 | 169.9 | 0 | 0 | 0 | 107.3 | S309 S312 L316 Q318 I319 | S309-I314 WeakPolarHBondContact CA-O 3.4Å; S309-I314 WeakPolarHBondContact CB-O 3.44Å; S309-I314 PolarHBondContact O-N 3.29Å; S309-I314 PolarHBondContact OG-O 3.47Å; S312-I314 WeakPolarHBondContact O-CG1 3.41Å; S312-I314 PolarHBondContact O-N 3.14Å; S312-I314 VanDerWaalsContact O-N 3.11Å; I314-L316 PolarHBondContact O-N 3.43Å; I314-Q318 HydrophobicContact CG2-CB 3.63Å; I314-Q318 HydrophobicContact CG2-CG 4.46Å; I314-I319 HydrophobicContact CB-CD1 4.04Å; I314-I319 HydrophobicContact CB-CG1 4.18Å; I314-I319 HydrophobicContact CG2-CD1 4.13Å; I314-I319 HydrophobicContact CG2-CG1 3.73Å | ||
| 315 | P | 68.8 | Low | 66.4 | Low | 69 Ų | 69 | 45.1 Ų | 45.1 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | trans | -52.6 | 137.8 | 173.2 | -30.1 | 38.5 | 0 | 0 | 0 | 112.4 | N317 Q318 | P315-N317 WeakPolarHBondContact CB-OD1 3.37Å; P315-N317 PolarHBondContact O-N 2.94Å; P315-N317 PolarHBondContact O-OD1 2.9Å; P315-Q318 PolarHBondContact O-N 2.84Å | ||
| 316 | L | 62.1 | Low | 67.3 | Low | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -50.8 | -29.3 | -177.9 | -79.3 | 162.1 | 0 | 0 | 0 | 114 | Y53 H246 L305 I314 Q318 I319 A320 | Y53-L316 HydrophobicContact CE2-CB 3.71Å; Y53-L316 VanDerWaalsContact OH-C 3.3Å; H246-L316 HydrophobicContact CB-CD1 3.57Å; H246-L316 WeakPolarHBondContact ND1-CD1 3.45Å; L305-L316 VanDerWaalsContact C-CD2 3.46Å; L305-L316 HydrophobicContact CB-CD2 3.67Å; L305-L316 WeakPolarHBondContact O-CD2 3.39Å; I314-L316 PolarHBondContact O-N 3.43Å; L316-Q318 PolarHBondContact O-N 3.27Å; L316-I319 PolarHBondContact O-N 3.44Å; L316-A320 PolarHBondContact O-N 2.81Å; L316-A320 VanDerWaalsContact O-N 3.1Å |
| 317 | N | 61 | Low | 68.5 | Low | 101 Ų | 101 | 45.2 Ų | 45.2 | 54% | 0.54 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.7 | -21.6 | -177.9 | 59.5 | -18 | 0 | 0 | 0 | 113.3 | Y53 P315 | Y53-N317 HydrophobicContact CE1-CB 4.28Å; Y53-N317 WeakPolarHBondContact OH-CA 3.29Å; Y53-N317 WeakPolarHBondContact OH-CB 3.46Å; Y53-N317 PolarHBondContact OH-N 3.03Å; P315-N317 WeakPolarHBondContact CB-OD1 3.37Å; P315-N317 PolarHBondContact O-N 2.94Å; P315-N317 PolarHBondContact O-OD1 2.9Å |
| 318 | Q | 59 | Low | 69.7 | Low | 133 Ų | 133 | 43.9 Ų | 43.9 | 62% | 0.621 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -89.3 | -18.4 | 177 | -63.2 | -176.7 | 5.1 | 0 | 0 | 112.3 | I314 P315 L316 | I314-Q318 HydrophobicContact CG2-CB 3.63Å; I314-Q318 HydrophobicContact CG2-CG 4.46Å; P315-Q318 PolarHBondContact O-N 2.84Å; L316-Q318 PolarHBondContact O-N 3.27Å |
| 319 | I | 57.8 | Low | 71.2 | Confident | 22 Ų | 22 | 44 Ų | 44 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -95.1 | -27.2 | -178.7 | -53 | 174.5 | 0 | 0 | 0 | 111.7 | L305 M308 I314 L316 E321 V330 | L305-I319 HydrophobicContact CD2-CG2 4.25Å; M308-I319 HydrophobicContact CB-CD1 4.33Å; M308-I319 HydrophobicContact CB-CG2 4.48Å; I314-I319 HydrophobicContact CB-CD1 4.04Å; I314-I319 HydrophobicContact CB-CG1 4.18Å; I314-I319 HydrophobicContact CG2-CD1 4.13Å; I314-I319 HydrophobicContact CG2-CG1 3.73Å; L316-I319 PolarHBondContact O-N 3.44Å; I319-E321 PolarHBondContact O-N 3.25Å; I319-V330 HydrophobicContact CG2-CG1 3.83Å; I319-V330 VanDerWaalsContact O-CG2 3.31Å; I319-V330 WeakPolarHBondContact O-CG2 3.31Å |
| 320 | A | 58.5 | Low | 72.2 | Confident | 17 Ų | 17 | 43.2 Ų | 43.2 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | trans | -71.1 | 96.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y53 L316 | Y53-A320 HydrophobicContact CD1-CB 3.32Å; Y53-A320 HydrophobicContact CE1-CB 3.51Å; Y53-A320 HydrophobicContact CG-CB 4.05Å; L316-A320 PolarHBondContact O-N 2.81Å; L316-A320 VanDerWaalsContact O-N 3.1Å | ||
| 321 | E | 63.1 | Low | 73 | Confident | 43 Ų | 43 | 37.2 Ų | 37.2 | 20% | 0.201 | 21% | 0.21 | C | C | . | . | trans | -89 | 156.3 | 165.7 | -64.3 | -170.5 | 172.1 | 0 | 0 | 111.2 | Y50 I319 G325 L326 I329 V330 | Y50-E321 VanDerWaalsContact CD2-C 3.48Å; Y50-E321 WeakPolarHBondContact CD2-O 3.17Å; I319-E321 PolarHBondContact O-N 3.25Å; E321-G325 WeakPolarHBondContact OE2-CA 3.36Å; E321-L326 WeakPolarHBondContact O-CB 3.37Å; E321-I329 WeakPolarHBondContact OE2-CD1 3.34Å; E321-V330 HydrophobicContact CB-CG2 4.16Å; E321-V330 HydrophobicContact CG-CG2 4.2Å | ||
| 322 | S | 66.8 | Low | 74.1 | Confident | 64 Ų | 64 | 35.4 Ų | 35.4 | 45% | 0.448 | 20% | 0.2 | S | C | . | . | trans | -100.4 | 148.2 | 176.8 | 59.4 | 0 | 0 | 0 | 0 | 112.4 | Y50 G325 | Y50-S322 VanDerWaalsContact CD1-CB 3.42Å; Y50-S322 VanDerWaalsContact CZ-CB 3.5Å; S322-G325 PolarHBondContact O-N 3.46Å | ||
| 323 | G | 76.7 | Confident | 75.4 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 9% | 0.093 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | -128.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G325 L326 G327 | G323-G325 VanDerWaalsContact C-N 3.27Å; G323-G325 PolarHBondContact O-N 3.25Å; G323-L326 PolarHBondContact O-N 2.95Å; G323-G327 PolarHBondContact O-N 3.32Å |
| 324 | P | 84.9 | Confident | 76.2 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.032 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.6 | -33.4 | -178.5 | -27.5 | 36.9 | 0 | 0 | 0 | 114.4 | W46 W124 W185 L326 G327 F328 M409 F412 | W46-P324 HydrophobicContact CH2-CG 3.93Å; W46-P324 HydrophobicContact CZ3-CB 4.23Å; W46-P324 HydrophobicContact CZ3-CG 3.86Å; W124-P324 HydrophobicContact CH2-CG 4.4Å; W124-P324 HydrophobicContact CZ3-CB 4.02Å; W124-P324 HydrophobicContact CZ3-CG 3.92Å; W185-P324 HydrophobicContact CH2-CB 4.41Å; W185-P324 HydrophobicContact CZ2-CB 3.96Å; P324-L326 VanDerWaalsContact C-N 3.32Å; P324-L326 PolarHBondContact O-N 3.05Å; P324-G327 PolarHBondContact O-N 3.45Å; P324-F328 HydrophobicContact CB-CD2 4.24Å; P324-F328 WeakPolarHBondContact O-CB 3.23Å; P324-F328 WeakPolarHBondContact O-CD2 3.23Å; P324-F328 PolarHBondContact O-N 3.44Å; P324-M409 HydrophobicContact CB-CE 4.22Å; P324-M409 HydrophobicContact CG-CE 3.88Å; P324-F412 HydrophobicContact CG-CD1 4.43Å; P324-F412 HydrophobicContact CG-CE1 3.67Å; P324-F412 HydrophobicContact CG-CZ 4.13Å |
| 325 | G | 85.5 | Confident | 77.2 | Confident | 10 Ų | 10 | 26.5 Ų | 26.5 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | E321 S322 G323 I329 V330 | E321-G325 WeakPolarHBondContact OE2-CA 3.36Å; S322-G325 PolarHBondContact O-N 3.46Å; G323-G325 VanDerWaalsContact C-N 3.27Å; G323-G325 PolarHBondContact O-N 3.25Å; G325-I329 WeakPolarHBondContact O-CA 3.28Å; G325-I329 VanDerWaalsContact O-CB 3.24Å; G325-I329 WeakPolarHBondContact O-CB 3.45Å; G325-I329 PolarHBondContact O-N 2.88Å; G325-V330 PolarHBondContact O-N 3.31Å |
| 326 | L | 83.3 | Confident | 78.2 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -61.6 | -53.2 | 174 | -168.7 | 60.4 | 0 | 0 | 0 | 111 | W46 I301 L305 E321 G323 P324 V330 Y331 | W46-L326 WeakPolarHBondContact O-CD2 3.27Å; I301-L326 HydrophobicContact CG2-CD2 4.04Å; L305-L326 HydrophobicContact CD1-CD1 4.5Å; L305-L326 HydrophobicContact CD2-CD1 4.07Å; E321-L326 WeakPolarHBondContact O-CB 3.37Å; G323-L326 PolarHBondContact O-N 2.95Å; P324-L326 VanDerWaalsContact C-N 3.32Å; P324-L326 PolarHBondContact O-N 3.05Å; L326-V330 HydrophobicContact CD1-CB 4.08Å; L326-V330 HydrophobicContact CD1-CG1 4.21Å; L326-V330 HydrophobicContact CD1-CG2 4.38Å; L326-V330 PolarHBondContact O-N 3.48Å; L326-Y331 HydrophobicContact CG-CD2 4.24Å; L326-Y331 HydrophobicContact CG-CE2 4.11Å; L326-Y331 WeakPolarHBondContact O-CD2 3.37Å; L326-Y331 PolarHBondContact O-N 3.48Å |
| 327 | G | 85.7 | Confident | 79.3 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -66.1 | -36.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G323 P324 P332 F348 | G323-G327 PolarHBondContact O-N 3.32Å; P324-G327 PolarHBondContact O-N 3.45Å; G327-P332 WeakPolarHBondContact O-CD 2.91Å; G327-F348 WeakPolarHBondContact O-CE1 2.8Å |
| 328 | F | 92.8 | Very high | 80.5 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -118.8 | -11.1 | -168.2 | -62 | -79.5 | 0 | 0 | 0 | 114.7 | W46 I121 W124 A125 Y128 W185 P324 P332 F349 | W46-F328 HydrophobicContact CE3-CE2 4.46Å; W46-F328 AromaticContact CZ3-CE2 4Å; W46-F328 HydrophobicContact CZ3-CE2 4Å; I121-F328 HydrophobicContact CG2-CE2 3.93Å; I121-F328 HydrophobicContact CG2-CZ 3.95Å; I121-F328 WeakPolarHBondContact O-CZ 3.06Å; W124-F328 HydrophobicContact CB-CD1 4.17Å; W124-F328 HydrophobicContact CB-CE1 3.62Å; W124-F328 HydrophobicContact CB-CE2 4.29Å; W124-F328 HydrophobicContact CB-CZ 3.69Å; W124-F328 HydrophobicContact CE3-CD2 4.23Å; W124-F328 AromaticContact CE3-CE2 3.77Å; W124-F328 HydrophobicContact CE3-CE2 3.77Å; W124-F328 HydrophobicContact CE3-CZ 4.23Å; A125-F328 HydrophobicContact CB-CE1 4.25Å; A125-F328 HydrophobicContact CB-CZ 4.42Å; Y128-F328 AromaticContact CD2-CD1 3.81Å; Y128-F328 HydrophobicContact CD2-CD1 3.81Å; Y128-F328 HydrophobicContact CD2-CE1 4.32Å; Y128-F328 HydrophobicContact CE2-CB 4.21Å; Y128-F328 AromaticContact CE2-CD1 3.64Å; Y128-F328 HydrophobicContact CE2-CD1 3.64Å; Y128-F328 HydrophobicContact CE2-CG 4.35Å; Y128-F328 HydrophobicContact CG-CD1 4.47Å; Y128-F328 PolarHBondContact OH-O 3.05Å; W185-F328 HydrophobicContact CD2-CB 3.97Å; W185-F328 HydrophobicContact CE3-CB 3.42Å; W185-F328 VanDerWaalsContact CE3-CB 3.42Å; W185-F328 HydrophobicContact CE3-CG 4.07Å; W185-F328 HydrophobicContact CH2-CB 3.78Å; W185-F328 HydrophobicContact CH2-CD1 4.46Å; W185-F328 AromaticContact CH2-CD2 3.73Å; W185-F328 HydrophobicContact CH2-CD2 3.73Å; W185-F328 HydrophobicContact CH2-CE2 4.47Å; W185-F328 AromaticContact CH2-CG 3.73Å; W185-F328 HydrophobicContact CH2-CG 3.73Å; W185-F328 HydrophobicContact CZ2-CB 4.32Å; W185-F328 HydrophobicContact CZ3-CB 3.31Å; W185-F328 AromaticContact CZ3-CD1 3.86Å; W185-F328 HydrophobicContact CZ3-CD1 3.86Å; W185-F328 AromaticContact CZ3-CD2 3.93Å; W185-F328 HydrophobicContact CZ3-CD2 3.93Å; W185-F328 AromaticContact CZ3-CG 3.42Å; W185-F328 HydrophobicContact CZ3-CG 3.42Å; W185-F328 VanDerWaalsContact CZ3-CG 3.42Å; P324-F328 HydrophobicContact CB-CD2 4.24Å; P324-F328 WeakPolarHBondContact O-CB 3.23Å; P324-F328 WeakPolarHBondContact O-CD2 3.23Å; P324-F328 PolarHBondContact O-N 3.44Å; F328-P332 VanDerWaalsContact C-CD 3.48Å; F328-P332 WeakPolarHBondContact O-CG 3.43Å; F328-F349 AromaticContact CD1-CE1 3.73Å; F328-F349 HydrophobicContact CD1-CE1 3.73Å; F328-F349 HydrophobicContact CD1-CZ 4.46Å; F328-F349 HydrophobicContact CE1-CD1 4.22Å; F328-F349 AromaticContact CE1-CE1 3.73Å; F328-F349 HydrophobicContact CE1-CE1 3.73Å |
| 329 | I | 90.3 | Very high | 81.9 | Confident | 7 Ų | 7 | 19.5 Ų | 19.5 | 4% | 0.036 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -110.7 | -60 | 171.7 | -60.6 | 167.4 | 0 | 0 | 0 | 110.4 | T181 T182 W185 E321 G325 P332 K333 | T181-I329 HydrophobicContact CG2-CG2 4.49Å; T181-I329 VanDerWaalsContact CG2-O 3.24Å; T181-I329 WeakPolarHBondContact CG2-O 3.45Å; T182-I329 WeakPolarHBondContact OG1-CG2 3.39Å; W185-I329 HydrophobicContact CB-CD1 4.3Å; W185-I329 HydrophobicContact CB-CG1 3.76Å; W185-I329 HydrophobicContact CG-CD1 4.02Å; W185-I329 HydrophobicContact CG-CG1 3.76Å; E321-I329 WeakPolarHBondContact OE2-CD1 3.34Å; G325-I329 WeakPolarHBondContact O-CA 3.28Å; G325-I329 VanDerWaalsContact O-CB 3.24Å; G325-I329 WeakPolarHBondContact O-CB 3.45Å; G325-I329 PolarHBondContact O-N 2.88Å; I329-P332 WeakPolarHBondContact O-CD 3.08Å; I329-K333 WeakPolarHBondContact O-CB 3.32Å; I329-K333 PolarHBondContact O-N 3.03Å; I329-K333 VanDerWaalsContact O-N 3.1Å |
| 330 | V | 85.2 | Confident | 83.5 | Confident | 7 Ų | 7 | 20.8 Ų | 20.8 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -68.9 | -45.2 | -171 | -178.5 | 0 | 0 | 0 | 0 | 111.9 | L305 I319 E321 G325 L326 K333 A334 | L305-V330 HydrophobicContact CD2-CG1 3.49Å; L305-V330 VanDerWaalsContact CD2-CG1 3.49Å; I319-V330 HydrophobicContact CG2-CG1 3.83Å; I319-V330 VanDerWaalsContact O-CG2 3.31Å; I319-V330 WeakPolarHBondContact O-CG2 3.31Å; E321-V330 HydrophobicContact CB-CG2 4.16Å; E321-V330 HydrophobicContact CG-CG2 4.2Å; G325-V330 PolarHBondContact O-N 3.31Å; L326-V330 HydrophobicContact CD1-CB 4.08Å; L326-V330 HydrophobicContact CD1-CG1 4.21Å; L326-V330 HydrophobicContact CD1-CG2 4.38Å; L326-V330 PolarHBondContact O-N 3.48Å; V330-K333 WeakPolarHBondContact O-CB 3.36Å; V330-A334 WeakPolarHBondContact O-CB 3.39Å; V330-A334 PolarHBondContact O-N 3.21Å |
| 331 | Y | 85.9 | Confident | 85.1 | Confident | 10 Ų | 10 | 20.7 Ų | 20.7 | 4% | 0.039 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65 | -48.8 | 178 | -91.5 | -67.1 | 0 | 0 | 0 | 114.1 | I301 T304 L326 K333 A334 I335 F348 | I301-Y331 WeakPolarHBondContact CA-OH 3.2Å; I301-Y331 WeakPolarHBondContact CB-OH 3.4Å; I301-Y331 HydrophobicContact CD1-CE2 4.21Å; I301-Y331 WeakPolarHBondContact CD1-OH 3.21Å; I301-Y331 WeakPolarHBondContact CG1-OH 3.4Å; I301-Y331 HydrophobicContact CG2-CE2 4.06Å; I301-Y331 WeakPolarHBondContact CG2-OH 3.35Å; T304-Y331 HydrophobicContact CG2-CD1 3.83Å; T304-Y331 HydrophobicContact CG2-CE1 3.83Å; L326-Y331 HydrophobicContact CG-CD2 4.24Å; L326-Y331 HydrophobicContact CG-CE2 4.11Å; L326-Y331 WeakPolarHBondContact O-CD2 3.37Å; L326-Y331 PolarHBondContact O-N 3.48Å; Y331-K333 VanDerWaalsContact C-N 3.26Å; Y331-K333 PolarHBondContact O-N 3.37Å; Y331-A334 WeakPolarHBondContact O-CA 3.31Å; Y331-A334 WeakPolarHBondContact O-CB 3.45Å; Y331-A334 PolarHBondContact O-N 2.84Å; Y331-I335 WeakPolarHBondContact O-CG1 3.45Å; Y331-I335 PolarHBondContact O-N 3.38Å; Y331-F348 VanDerWaalsContact CB-CZ 3.47Å; Y331-F348 HydrophobicContact CD1-CD2 4.37Å; Y331-F348 AromaticContact CD1-CE2 3.66Å; Y331-F348 HydrophobicContact CD1-CE2 3.66Å; Y331-F348 AromaticContact CD1-CZ 3.9Å; Y331-F348 HydrophobicContact CD1-CZ 3.9Å; Y331-F348 AromaticContact CD2-CE2 3.94Å; Y331-F348 HydrophobicContact CD2-CE2 3.94Å; Y331-F348 AromaticContact CD2-CZ 3.59Å; Y331-F348 HydrophobicContact CD2-CZ 3.59Å; Y331-F348 AromaticContact CE1-CE2 3.91Å; Y331-F348 HydrophobicContact CE1-CE2 3.91Å; Y331-F348 HydrophobicContact CE1-CZ 4.47Å; Y331-F348 HydrophobicContact CE2-CE2 4.18Å; Y331-F348 HydrophobicContact CE2-CZ 4.2Å; Y331-F348 HydrophobicContact CG-CE1 4.22Å; Y331-F348 AromaticContact CG-CE2 3.65Å; Y331-F348 HydrophobicContact CG-CE2 3.65Å; Y331-F348 AromaticContact CG-CZ 3.39Å; Y331-F348 HydrophobicContact CG-CZ 3.39Å |
| 332 | P | 91.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.9 | -32.1 | -179.2 | -27.2 | 42.1 | 0 | 0 | 0 | 111.9 | Y128 W139 T181 G327 F328 I329 A334 G336 F349 | Y128-P332 HydrophobicContact CD1-CB 4.39Å; Y128-P332 HydrophobicContact CD1-CG 4.23Å; Y128-P332 HydrophobicContact CE1-CB 3.86Å; Y128-P332 HydrophobicContact CE1-CG 3.73Å; W139-P332 HydrophobicContact CD2-CB 4.34Å; W139-P332 HydrophobicContact CG-CB 4.38Å; W139-P332 HydrophobicContact CZ2-CB 4.23Å; W139-P332 PolarHBondContact NE1-O 3.33Å; T181-P332 HydrophobicContact CG2-CB 3.99Å; G327-P332 WeakPolarHBondContact O-CD 2.91Å; F328-P332 VanDerWaalsContact C-CD 3.48Å; F328-P332 WeakPolarHBondContact O-CG 3.43Å; I329-P332 WeakPolarHBondContact O-CD 3.08Å; P332-A334 VanDerWaalsContact C-N 3.32Å; P332-G336 PolarHBondContact O-N 3.36Å; P332-F349 HydrophobicContact CB-CZ 4.37Å; P332-F349 HydrophobicContact CG-CE1 4.48Å; P332-F349 HydrophobicContact CG-CE2 4.29Å; P332-F349 HydrophobicContact CG-CZ 3.56Å |
| 333 | K | 88.4 | Confident | 87.9 | Confident | 40 Ų | 40 | 22.5 Ų | 22.5 | 17% | 0.174 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.3 | -46.2 | 168.4 | -174.8 | 173.9 | -176.7 | 172.8 | 0 | 110.7 | D179 T181 M308 I329 V330 Y331 G336 | D179-K333 IonicContact OD1-NZ 2.83Å; D179-K333 PolarHBondContact OD1-NZ 3.02Å; T181-K333 HydrophobicContact CG2-CB 4.17Å; T181-K333 WeakPolarHBondContact OG1-CA 3.26Å; T181-K333 WeakPolarHBondContact OG1-CB 3.4Å; M308-K333 HydrophobicContact SD-CG 4.49Å; I329-K333 WeakPolarHBondContact O-CB 3.32Å; I329-K333 PolarHBondContact O-N 3.03Å; I329-K333 VanDerWaalsContact O-N 3.1Å; V330-K333 WeakPolarHBondContact O-CB 3.36Å; Y331-K333 VanDerWaalsContact C-N 3.26Å; Y331-K333 PolarHBondContact O-N 3.37Å; K333-G336 PolarHBondContact O-N 2.99Å |
| 334 | A | 85.2 | Confident | 88.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67 | -43.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | T304 M308 V330 Y331 P332 G336 T337 | T304-A334 HydrophobicContact CG2-CB 3.34Å; M308-A334 HydrophobicContact CE-CB 3.41Å; M308-A334 VanDerWaalsContact CE-CB 3.41Å; M308-A334 HydrophobicContact CG-CB 3.55Å; M308-A334 WeakPolarHBondContact SD-CA 3.34Å; M308-A334 HydrophobicContact SD-CB 3.51Å; M308-A334 VanDerWaalsContact SD-CB 3.51Å; V330-A334 WeakPolarHBondContact O-CB 3.39Å; V330-A334 PolarHBondContact O-N 3.21Å; Y331-A334 WeakPolarHBondContact O-CA 3.31Å; Y331-A334 WeakPolarHBondContact O-CB 3.45Å; Y331-A334 PolarHBondContact O-N 2.84Å; P332-A334 VanDerWaalsContact C-N 3.32Å; A334-G336 PolarHBondContact O-N 3.45Å; A334-T337 PolarHBondContact O-N 3.4Å; A334-T337 PolarHBondContact O-OG1 2.81Å; A334-T337 VanDerWaalsContact O-OG1 3.05Å |
| 335 | I | 90 | Very high | 89.1 | Confident | 6 Ų | 6 | 23.7 Ų | 23.7 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.4 | -38 | 175.4 | -71.6 | 167.3 | 0 | 0 | 0 | 110.1 | L137 Y331 T337 M338 S341 W344 F348 | L137-I335 HydrophobicContact CD1-CG2 4.35Å; Y331-I335 WeakPolarHBondContact O-CG1 3.45Å; Y331-I335 PolarHBondContact O-N 3.38Å; I335-T337 PolarHBondContact O-N 2.77Å; I335-T337 VanDerWaalsContact O-N 3.15Å; I335-M338 WeakPolarHBondContact O-CB 3.41Å; I335-M338 PolarHBondContact O-N 2.73Å; I335-S341 WeakPolarHBondContact CG2-O 3.16Å; I335-S341 WeakPolarHBondContact O-CB 3.32Å; I335-W344 HydrophobicContact CG2-CB 3.91Å; I335-F348 HydrophobicContact CD1-CB 3.55Å; I335-F348 HydrophobicContact CD1-CD1 3.8Å; I335-F348 HydrophobicContact CD1-CD2 4.15Å; I335-F348 HydrophobicContact CD1-CG 3.56Å |
| 336 | G | 89.4 | Confident | 89.5 | Confident | 15 Ų | 15 | 24.9 Ų | 24.9 | 16% | 0.155 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.6 | -27 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T140 P332 K333 A334 | T140-G336 VanDerWaalsContact CG2-CA 3.48Å; P332-G336 PolarHBondContact O-N 3.36Å; K333-G336 PolarHBondContact O-N 2.99Å; A334-G336 PolarHBondContact O-N 3.45Å |
| 337 | T | 85.5 | Confident | 89.7 | Confident | 45 Ų | 45 | 25.2 Ų | 25.2 | 28% | 0.276 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -6.9 | 179.1 | 70.9 | 0 | 0 | 0 | 0 | 113.7 | F154 Y307 M308 I311 A334 I335 | F154-T337 HydrophobicContact CD1-CG2 3.93Å; F154-T337 HydrophobicContact CE1-CG2 4.35Å; Y307-T337 WeakPolarHBondContact CE1-OG1 3.33Å; Y307-T337 PolarHBondContact OH-OG1 2.7Å; Y307-T337 VanDerWaalsContact OH-OG1 3.07Å; M308-T337 HydrophobicContact CE-CG2 4.44Å; I311-T337 HydrophobicContact CD1-CG2 3.8Å; A334-T337 PolarHBondContact O-N 3.4Å; A334-T337 PolarHBondContact O-OG1 2.81Å; A334-T337 VanDerWaalsContact O-OG1 3.05Å; I335-T337 PolarHBondContact O-N 2.77Å; I335-T337 VanDerWaalsContact O-N 3.15Å |
| 338 | M | 86.1 | Confident | 89.9 | Confident | 11 Ų | 11 | 25.3 Ų | 25.3 | 5% | 0.054 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -82.9 | 144.3 | -178.8 | -57.2 | -172.4 | -167.6 | 0 | 0 | 111.5 | L237 I335 G340 S341 W344 | L237-M338 HydrophobicContact CD1-CE 3.43Å; L237-M338 VanDerWaalsContact CD1-CE 3.43Å; L237-M338 HydrophobicContact CD1-CG 4.39Å; L237-M338 HydrophobicContact CD1-SD 4.02Å; I335-M338 WeakPolarHBondContact O-CB 3.41Å; I335-M338 PolarHBondContact O-N 2.73Å; M338-G340 PolarHBondContact O-N 2.81Å; M338-S341 VanDerWaalsContact O-CB 3.3Å; M338-S341 WeakPolarHBondContact O-CB 3.45Å; M338-S341 PolarHBondContact O-N 3.39Å; M338-S341 VanDerWaalsContact O-N 3.11Å; M338-W344 HydrophobicContact SD-CG 4.47Å |
| 339 | P | 87.7 | Confident | 89.9 | Confident | 93 Ų | 93 | 25.3 Ų | 25.3 | 60% | 0.604 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 133.8 | 169.2 | 27 | -33.7 | 0 | 0 | 0 | 110 | W344 | P339-W344 PolarHBondContact O-NE1 2.85Å; P339-W344 VanDerWaalsContact O-NE1 3.14Å |
| 340 | G | 90.7 | Very high | 89.9 | Confident | 49 Ų | 49 | 27.5 Ų | 27.5 | 51% | 0.505 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 31.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M338 P342 F343 W344 | M338-G340 PolarHBondContact O-N 2.81Å; G340-P342 VanDerWaalsContact C-N 3.29Å; G340-P342 VanDerWaalsContact O-N 3.14Å; G340-F343 WeakPolarHBondContact O-CB 3.48Å; G340-F343 PolarHBondContact O-N 3.49Å; G340-W344 VanDerWaalsContact O-CD1 3.28Å |
| 341 | S | 92.8 | Very high | 89.9 | Confident | 15 Ų | 15 | 27.5 Ų | 27.5 | 11% | 0.105 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -48.8 | -35.9 | -177.3 | 57.7 | 0 | 0 | 0 | 0 | 115.8 | I335 M338 F343 W344 S345 | I335-S341 WeakPolarHBondContact CG2-O 3.16Å; I335-S341 WeakPolarHBondContact O-CB 3.32Å; M338-S341 VanDerWaalsContact O-CB 3.3Å; M338-S341 WeakPolarHBondContact O-CB 3.45Å; M338-S341 PolarHBondContact O-N 3.39Å; M338-S341 VanDerWaalsContact O-N 3.11Å; S341-F343 VanDerWaalsContact C-N 3.33Å; S341-F343 PolarHBondContact O-N 3.09Å; S341-W344 PolarHBondContact O-N 3.13Å; S341-S345 WeakPolarHBondContact O-CB 3.16Å; S341-S345 PolarHBondContact O-N 3.18Å |
| 342 | P | 95.4 | Very high | 90 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 16% | 0.162 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.5 | -42.7 | 174.5 | -28 | 38.1 | 0 | 0 | 0 | 113.8 | T134 L137 G340 S345 I346 | T134-P342 VanDerWaalsContact O-CG 3.25Å; T134-P342 WeakPolarHBondContact O-CG 3.49Å; L137-P342 HydrophobicContact CD2-CB 4.34Å; L137-P342 HydrophobicContact CD2-CG 4.33Å; L137-P342 HydrophobicContact CG-CG 4.31Å; G340-P342 VanDerWaalsContact C-N 3.29Å; G340-P342 VanDerWaalsContact O-N 3.14Å; P342-S345 WeakPolarHBondContact O-CB 3.2Å; P342-S345 PolarHBondContact O-N 3.48Å; P342-I346 VanDerWaalsContact O-CG1 3.31Å; P342-I346 WeakPolarHBondContact O-CG1 3.29Å; P342-I346 PolarHBondContact O-N 2.86Å |
| 343 | F | 93.7 | Very high | 89.9 | Confident | 121 Ų | 121 | 27.5 Ų | 27.5 | 53% | 0.531 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.4 | -48.9 | 178.6 | 170.3 | -98.9 | 0 | 0 | 0 | 111.5 | G340 S341 S345 I346 C347 | G340-F343 WeakPolarHBondContact O-CB 3.48Å; G340-F343 PolarHBondContact O-N 3.49Å; S341-F343 VanDerWaalsContact C-N 3.33Å; S341-F343 PolarHBondContact O-N 3.09Å; F343-S345 VanDerWaalsContact C-N 3.3Å; F343-S345 PolarHBondContact O-N 3.21Å; F343-I346 PolarHBondContact O-N 3.34Å; F343-C347 PolarHBondContact O-N 2.82Å; F343-C347 PolarHBondContact O-SG 2.75Å; F343-C347 VanDerWaalsContact O-SG 3.4Å |
| 344 | W | 91.4 | Very high | 89.7 | Confident | 39 Ų | 39 | 26 Ų | 26 | 15% | 0.148 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.6 | -36.3 | 179.9 | -60.1 | 113.2 | 0 | 0 | 0 | 112.2 | I229 L230 R233 I335 M338 P339 G340 S341 C347 F348 | I229-W344 HydrophobicContact CG2-CZ3 3.92Å; L230-W344 HydrophobicContact CD2-CE3 4.02Å; R233-W344 HydrophobicContact CB-CE3 4.43Å; R233-W344 HydrophobicContact CB-CH2 3.81Å; R233-W344 HydrophobicContact CB-CZ2 4.41Å; R233-W344 HydrophobicContact CB-CZ3 3.81Å; R233-W344 HydrophobicContact CG-CD2 4.26Å; R233-W344 HydrophobicContact CG-CE3 4.17Å; R233-W344 HydrophobicContact CG-CH2 3.6Å; R233-W344 HydrophobicContact CG-CZ2 3.69Å; R233-W344 HydrophobicContact CG-CZ3 3.85Å; I335-W344 HydrophobicContact CG2-CB 3.91Å; M338-W344 HydrophobicContact SD-CG 4.47Å; P339-W344 PolarHBondContact O-NE1 2.85Å; P339-W344 VanDerWaalsContact O-NE1 3.14Å; G340-W344 VanDerWaalsContact O-CD1 3.28Å; S341-W344 PolarHBondContact O-N 3.13Å; W344-C347 PolarHBondContact O-N 2.89Å; W344-F348 WeakPolarHBondContact O-CB 3.26Å; W344-F348 PolarHBondContact O-N 3.03Å |
| 345 | S | 94.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -50 | 174.4 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | S132 W139 S341 P342 F343 C347 F348 F349 | S132-S345 WeakPolarHBondContact OG-CB 3.47Å; S132-S345 PolarHBondContact OG-OG 3.42Å; W139-S345 WeakPolarHBondContact CH2-OG 3.18Å; W139-S345 VanDerWaalsContact CZ2-OG 3.23Å; W139-S345 WeakPolarHBondContact CZ2-OG 3.34Å; S341-S345 WeakPolarHBondContact O-CB 3.16Å; S341-S345 PolarHBondContact O-N 3.18Å; P342-S345 WeakPolarHBondContact O-CB 3.2Å; P342-S345 PolarHBondContact O-N 3.48Å; F343-S345 VanDerWaalsContact C-N 3.3Å; F343-S345 PolarHBondContact O-N 3.21Å; S345-C347 VanDerWaalsContact C-N 3.34Å; S345-C347 PolarHBondContact O-N 2.96Å; S345-F348 PolarHBondContact O-N 3.29Å; S345-F349 WeakPolarHBondContact O-CD2 3.43Å; S345-F349 PolarHBondContact O-N 2.75Å; S345-F349 WeakPolarHBondContact OG-CD2 3.44Å; S345-F349 WeakPolarHBondContact OG-CE2 3.5Å |
| 346 | I | 93.6 | Very high | 89.3 | Confident | 35 Ų | 35 | 25.7 Ų | 25.7 | 18% | 0.179 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 177.2 | -68.4 | 167.5 | 0 | 0 | 0 | 110.2 | F133 P342 F343 F348 F349 I350 | F133-I346 HydrophobicContact CD1-CD1 4.17Å; F133-I346 HydrophobicContact CE1-CD1 3.92Å; F133-I346 HydrophobicContact CZ-CD1 4.19Å; P342-I346 VanDerWaalsContact O-CG1 3.31Å; P342-I346 WeakPolarHBondContact O-CG1 3.29Å; P342-I346 PolarHBondContact O-N 2.86Å; F343-I346 PolarHBondContact O-N 3.34Å; I346-F348 VanDerWaalsContact C-N 3.35Å; I346-F348 PolarHBondContact O-N 3.49Å; I346-F349 PolarHBondContact O-N 3.01Å; I346-I350 HydrophobicContact CG2-CD1 3.58Å; I346-I350 HydrophobicContact CG2-CG1 4.24Å; I346-I350 VanDerWaalsContact O-CB 3.31Å; I346-I350 WeakPolarHBondContact O-CB 3.42Å; I346-I350 WeakPolarHBondContact O-CG1 2.9Å; I346-I350 PolarHBondContact O-N 3.39Å |
| 347 | C | 89.6 | Confident | 89.1 | Confident | 9 Ų | 9 | 25.9 Ų | 25.9 | 6% | 0.061 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.2 | -43.8 | 177.4 | -68.3 | 0 | 0 | 0 | 0 | 112.7 | F226 F343 W344 S345 M351 | F226-C347 HydrophobicContact CD1-CB 3.79Å; F226-C347 HydrophobicContact CE1-CB 4.03Å; F343-C347 PolarHBondContact O-N 2.82Å; F343-C347 PolarHBondContact O-SG 2.75Å; F343-C347 VanDerWaalsContact O-SG 3.4Å; W344-C347 PolarHBondContact O-N 2.89Å; S345-C347 VanDerWaalsContact C-N 3.34Å; S345-C347 PolarHBondContact O-N 2.96Å; C347-M351 WeakPolarHBondContact O-CB 3.3Å; C347-M351 PolarHBondContact O-N 3.02Å |
| 348 | F | 89.5 | Confident | 88.7 | Confident | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.018 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.9 | -46.3 | -180 | 174.7 | -100.9 | 0 | 0 | 0 | 112.5 | L230 G327 Y331 I335 W344 S345 I346 M351 I352 | L230-F348 HydrophobicContact CD1-CB 4.18Å; L230-F348 HydrophobicContact CD1-CD2 4.1Å; G327-F348 WeakPolarHBondContact O-CE1 2.8Å; Y331-F348 VanDerWaalsContact CB-CZ 3.47Å; Y331-F348 HydrophobicContact CD1-CD2 4.37Å; Y331-F348 AromaticContact CD1-CE2 3.66Å; Y331-F348 HydrophobicContact CD1-CE2 3.66Å; Y331-F348 AromaticContact CD1-CZ 3.9Å; Y331-F348 HydrophobicContact CD1-CZ 3.9Å; Y331-F348 AromaticContact CD2-CE2 3.94Å; Y331-F348 HydrophobicContact CD2-CE2 3.94Å; Y331-F348 AromaticContact CD2-CZ 3.59Å; Y331-F348 HydrophobicContact CD2-CZ 3.59Å; Y331-F348 AromaticContact CE1-CE2 3.91Å; Y331-F348 HydrophobicContact CE1-CE2 3.91Å; Y331-F348 HydrophobicContact CE1-CZ 4.47Å; Y331-F348 HydrophobicContact CE2-CE2 4.18Å; Y331-F348 HydrophobicContact CE2-CZ 4.2Å; Y331-F348 HydrophobicContact CG-CE1 4.22Å; Y331-F348 AromaticContact CG-CE2 3.65Å; Y331-F348 HydrophobicContact CG-CE2 3.65Å; Y331-F348 AromaticContact CG-CZ 3.39Å; Y331-F348 HydrophobicContact CG-CZ 3.39Å; I335-F348 HydrophobicContact CD1-CB 3.55Å; I335-F348 HydrophobicContact CD1-CD1 3.8Å; I335-F348 HydrophobicContact CD1-CD2 4.15Å; I335-F348 HydrophobicContact CD1-CG 3.56Å; W344-F348 WeakPolarHBondContact O-CB 3.26Å; W344-F348 PolarHBondContact O-N 3.03Å; S345-F348 PolarHBondContact O-N 3.29Å; I346-F348 VanDerWaalsContact C-N 3.35Å; I346-F348 PolarHBondContact O-N 3.49Å; F348-M351 HydrophobicContact CD2-CE 3.66Å; F348-M351 HydrophobicContact CE2-CE 3.79Å; F348-M351 WeakPolarHBondContact O-CB 3.02Å; F348-M351 PolarHBondContact O-N 3Å; F348-I352 HydrophobicContact CD1-CD1 4.1Å; F348-I352 HydrophobicContact CE1-CD1 3.4Å; F348-I352 HydrophobicContact CE1-CG1 4.35Å; F348-I352 HydrophobicContact CE2-CD1 4.38Å; F348-I352 HydrophobicContact CZ-CD1 3.57Å; F348-I352 HydrophobicContact CZ-CG1 4.33Å; F348-I352 PolarHBondContact O-N 3.38Å |
| 349 | F | 92.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -76 | -30.7 | -179.7 | -69.2 | -67.4 | 0 | 0 | 0 | 113 | A125 Y128 I129 W139 F328 P332 S345 I346 M351 I352 I353 | A125-F349 HydrophobicContact CB-CD1 4.12Å; Y128-F349 VanDerWaalsContact CB-CE2 3.4Å; Y128-F349 VanDerWaalsContact CB-CZ 3.41Å; Y128-F349 HydrophobicContact CD1-CD2 4.42Å; Y128-F349 AromaticContact CD1-CE1 3.94Å; Y128-F349 HydrophobicContact CD1-CE1 3.94Å; Y128-F349 AromaticContact CD1-CE2 3.42Å; Y128-F349 HydrophobicContact CD1-CE2 3.42Å; Y128-F349 VanDerWaalsContact CD1-CE2 3.42Å; Y128-F349 AromaticContact CD1-CZ 3.08Å; Y128-F349 HydrophobicContact CD1-CZ 3.08Å; Y128-F349 HydrophobicContact CD2-CE1 4.3Å; Y128-F349 HydrophobicContact CD2-CZ 4.23Å; Y128-F349 HydrophobicContact CE1-CE2 4.41Å; Y128-F349 AromaticContact CE1-CZ 3.8Å; Y128-F349 HydrophobicContact CE1-CZ 3.8Å; Y128-F349 HydrophobicContact CG-CD1 4.37Å; Y128-F349 HydrophobicContact CG-CD2 4.37Å; Y128-F349 AromaticContact CG-CE1 3.71Å; Y128-F349 HydrophobicContact CG-CE1 3.71Å; Y128-F349 AromaticContact CG-CE2 3.73Å; Y128-F349 HydrophobicContact CG-CE2 3.73Å; Y128-F349 AromaticContact CG-CZ 3.32Å; Y128-F349 HydrophobicContact CG-CZ 3.32Å; I129-F349 HydrophobicContact CD1-CB 4.08Å; I129-F349 HydrophobicContact CG1-CB 3.41Å; I129-F349 VanDerWaalsContact CG1-CB 3.41Å; W139-F349 HydrophobicContact CH2-CE2 4.26Å; W139-F349 HydrophobicContact CZ2-CE2 4.29Å; F328-F349 AromaticContact CD1-CE1 3.73Å; F328-F349 HydrophobicContact CD1-CE1 3.73Å; F328-F349 HydrophobicContact CD1-CZ 4.46Å; F328-F349 HydrophobicContact CE1-CD1 4.22Å; F328-F349 AromaticContact CE1-CE1 3.73Å; F328-F349 HydrophobicContact CE1-CE1 3.73Å; P332-F349 HydrophobicContact CB-CZ 4.37Å; P332-F349 HydrophobicContact CG-CE1 4.48Å; P332-F349 HydrophobicContact CG-CE2 4.29Å; P332-F349 HydrophobicContact CG-CZ 3.56Å; S345-F349 WeakPolarHBondContact O-CD2 3.43Å; S345-F349 PolarHBondContact O-N 2.75Å; S345-F349 WeakPolarHBondContact OG-CD2 3.44Å; S345-F349 WeakPolarHBondContact OG-CE2 3.5Å; I346-F349 PolarHBondContact O-N 3.01Å; F349-M351 VanDerWaalsContact C-N 3.29Å; F349-M351 PolarHBondContact O-N 3.1Å; F349-I352 HydrophobicContact CD1-CD1 4.02Å; F349-I352 HydrophobicContact CE1-CD1 4.26Å; F349-I352 PolarHBondContact O-N 3.42Å; F349-I353 WeakPolarHBondContact O-CG1 3.07Å; F349-I353 PolarHBondContact O-N 2.9Å |
| 350 | I | 89.4 | Confident | 88.6 | Confident | 54 Ų | 54 | 20.4 Ų | 20.4 | 28% | 0.277 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -59 | -44.5 | 167.6 | -73.7 | 174.9 | 0 | 0 | 0 | 109.9 | I129 F226 I346 I352 I353 L354 | I129-I350 HydrophobicContact CD1-CG1 3.73Å; F226-I350 HydrophobicContact CD2-CG2 4.11Å; F226-I350 HydrophobicContact CE2-CB 4.45Å; F226-I350 HydrophobicContact CE2-CG2 3.47Å; F226-I350 VanDerWaalsContact CE2-CG2 3.47Å; F226-I350 HydrophobicContact CZ-CG2 3.88Å; I346-I350 HydrophobicContact CG2-CD1 3.58Å; I346-I350 HydrophobicContact CG2-CG1 4.24Å; I346-I350 VanDerWaalsContact O-CB 3.31Å; I346-I350 WeakPolarHBondContact O-CB 3.42Å; I346-I350 WeakPolarHBondContact O-CG1 2.9Å; I346-I350 PolarHBondContact O-N 3.39Å; I350-I352 PolarHBondContact O-N 3.48Å; I350-I353 PolarHBondContact O-N 3.38Å; I350-L354 HydrophobicContact CG2-CD1 3.6Å; I350-L354 HydrophobicContact CG2-CG 4.15Å; I350-L354 WeakPolarHBondContact O-CG 2.89Å; I350-L354 PolarHBondContact O-N 3.22Å |
| 351 | M | 85.6 | Confident | 88.2 | Confident | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.03 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 175.7 | 176.5 | -160.8 | 69.9 | 0 | 0 | 111.9 | V45 F226 I227 L230 C347 F348 F349 I353 L354 L355 | V45-M351 HydrophobicContact CG1-CE 4.07Å; F226-M351 HydrophobicContact CB-CB 3.82Å; F226-M351 HydrophobicContact CB-CG 4.18Å; F226-M351 HydrophobicContact CG-CB 4.43Å; I227-M351 HydrophobicContact CB-SD 4.48Å; I227-M351 HydrophobicContact CD1-SD 4.42Å; I227-M351 HydrophobicContact CG1-CG 4.11Å; I227-M351 HydrophobicContact CG1-SD 3.43Å; I227-M351 WeakPolarHBondContact CG1-SD 3.45Å; L230-M351 HydrophobicContact CD1-CE 4.36Å; L230-M351 HydrophobicContact CD1-SD 4.04Å; C347-M351 WeakPolarHBondContact O-CB 3.3Å; C347-M351 PolarHBondContact O-N 3.02Å; F348-M351 HydrophobicContact CD2-CE 3.66Å; F348-M351 HydrophobicContact CE2-CE 3.79Å; F348-M351 WeakPolarHBondContact O-CB 3.02Å; F348-M351 PolarHBondContact O-N 3Å; F349-M351 VanDerWaalsContact C-N 3.29Å; F349-M351 PolarHBondContact O-N 3.1Å; M351-I353 VanDerWaalsContact C-N 3.34Å; M351-I353 PolarHBondContact O-N 2.94Å; M351-L354 PolarHBondContact O-N 2.92Å; M351-L355 HydrophobicContact CG-CD1 4.12Å; M351-L355 VanDerWaalsContact O-CG 3.32Å; M351-L355 WeakPolarHBondContact O-CG 3.47Å; M351-L355 PolarHBondContact O-N 3.27Å |
| 352 | I | 88 | Confident | 87.8 | Confident | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.036 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.5 | -49.2 | 175.7 | -72.3 | -179.8 | 0 | 0 | 0 | 110.6 | L42 I121 A125 F348 F349 I350 L354 L355 G356 | L42-I352 HydrophobicContact CD2-CB 4.4Å; L42-I352 HydrophobicContact CD2-CG2 3.69Å; L42-I352 VanDerWaalsContact CD2-O 3.3Å; L42-I352 WeakPolarHBondContact CD2-O 3.46Å; I121-I352 HydrophobicContact CG2-CG2 4.48Å; A125-I352 HydrophobicContact CB-CB 4.19Å; A125-I352 HydrophobicContact CB-CG2 3.61Å; F348-I352 HydrophobicContact CD1-CD1 4.1Å; F348-I352 HydrophobicContact CE1-CD1 3.4Å; F348-I352 HydrophobicContact CE1-CG1 4.35Å; F348-I352 HydrophobicContact CE2-CD1 4.38Å; F348-I352 HydrophobicContact CZ-CD1 3.57Å; F348-I352 HydrophobicContact CZ-CG1 4.33Å; F348-I352 PolarHBondContact O-N 3.38Å; F349-I352 HydrophobicContact CD1-CD1 4.02Å; F349-I352 HydrophobicContact CE1-CD1 4.26Å; F349-I352 PolarHBondContact O-N 3.42Å; I350-I352 PolarHBondContact O-N 3.48Å; I352-L354 PolarHBondContact O-N 2.91Å; I352-L355 PolarHBondContact O-N 3.31Å; I352-G356 PolarHBondContact O-N 3.21Å |
| 353 | I | 88.3 | Confident | 87.5 | Confident | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.9 | -46.3 | -178.9 | -69.8 | 176.3 | 0 | 0 | 0 | 111.5 | M122 A125 F126 I129 M216 F349 I350 M351 L355 G356 I357 | M122-I353 HydrophobicContact SD-CG2 4.5Å; M122-I353 VanDerWaalsContact SD-O 3.4Å; A125-I353 HydrophobicContact CB-CD1 4.14Å; A125-I353 HydrophobicContact CB-CG1 3.57Å; F126-I353 HydrophobicContact CB-CD1 4.36Å; F126-I353 HydrophobicContact CD1-CD1 3.46Å; F126-I353 VanDerWaalsContact CD1-CD1 3.46Å; F126-I353 HydrophobicContact CD2-CD1 3.88Å; F126-I353 HydrophobicContact CD2-CG1 4.45Å; F126-I353 HydrophobicContact CE1-CD1 3.61Å; F126-I353 HydrophobicContact CE1-CG2 4.47Å; F126-I353 HydrophobicContact CE2-CD1 3.99Å; F126-I353 HydrophobicContact CE2-CG1 4.45Å; F126-I353 HydrophobicContact CE2-CG2 4.16Å; F126-I353 HydrophobicContact CG-CD1 3.61Å; F126-I353 HydrophobicContact CZ-CD1 3.88Å; F126-I353 HydrophobicContact CZ-CG2 3.93Å; I129-I353 HydrophobicContact CD1-CD1 3.27Å; I129-I353 HydrophobicContact CD1-CG1 4.39Å; I129-I353 HydrophobicContact CG1-CD1 4.3Å; M216-I353 HydrophobicContact CE-CG2 3.44Å; M216-I353 VanDerWaalsContact CE-CG2 3.44Å; F349-I353 WeakPolarHBondContact O-CG1 3.07Å; F349-I353 PolarHBondContact O-N 2.9Å; I350-I353 PolarHBondContact O-N 3.38Å; M351-I353 VanDerWaalsContact C-N 3.34Å; M351-I353 PolarHBondContact O-N 2.94Å; I353-L355 PolarHBondContact O-N 3.39Å; I353-G356 CarbonylContact O-C 3.6Å; I353-G356 WeakPolarHBondContact O-CA 3.21Å; I353-G356 PolarHBondContact O-N 2.85Å; I353-G356 VanDerWaalsContact O-N 3.13Å; I353-I357 HydrophobicContact CG2-CD1 3.61Å; I353-I357 HydrophobicContact CG2-CG1 4.22Å; I353-I357 VanDerWaalsContact O-CG1 3.31Å; I353-I357 WeakPolarHBondContact O-CG1 3.35Å; I353-I357 PolarHBondContact O-N 3.48Å |
| 354 | L | 84.1 | Confident | 87.4 | Confident | 8 Ų | 8 | 16.9 Ų | 16.9 | 4% | 0.042 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | -179.2 | -66.6 | 166.7 | 0 | 0 | 0 | 112 | V218 L222 P223 F226 I350 M351 I352 G356 I357 D358 | V218-L354 HydrophobicContact CB-CD2 4.19Å; V218-L354 HydrophobicContact CG1-CD2 3.54Å; L222-L354 HydrophobicContact CB-CD1 3.4Å; P223-L354 HydrophobicContact CG-CB 3.58Å; P223-L354 HydrophobicContact CG-CD1 4.45Å; F226-L354 HydrophobicContact CD2-CD1 4.13Å; F226-L354 HydrophobicContact CE2-CD1 4.03Å; I350-L354 HydrophobicContact CG2-CD1 3.6Å; I350-L354 HydrophobicContact CG2-CG 4.15Å; I350-L354 WeakPolarHBondContact O-CG 2.89Å; I350-L354 PolarHBondContact O-N 3.22Å; M351-L354 PolarHBondContact O-N 2.92Å; I352-L354 PolarHBondContact O-N 2.91Å; L354-G356 VanDerWaalsContact C-N 3.3Å; L354-G356 PolarHBondContact O-N 2.96Å; L354-I357 PolarHBondContact O-N 3.46Å; L354-D358 PolarHBondContact O-N 3Å; L354-D358 VanDerWaalsContact O-N 3.11Å |
| 355 | L | 82.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.5 | -36.9 | 173.6 | -69.9 | 172.8 | 0 | 0 | 0 | 112.6 | I40 L42 V45 P223 M351 I352 I353 S359 | I40-L355 HydrophobicContact CB-CD2 4.02Å; I40-L355 HydrophobicContact CD1-CD2 4.43Å; I40-L355 HydrophobicContact CG2-CD2 3.62Å; L42-L355 HydrophobicContact CD2-CB 4.11Å; L42-L355 HydrophobicContact CG-CB 4.48Å; V45-L355 HydrophobicContact CB-CD1 4.23Å; V45-L355 HydrophobicContact CG1-CD1 4.5Å; V45-L355 HydrophobicContact CG2-CD1 3.44Å; V45-L355 VanDerWaalsContact CG2-CD1 3.44Å; P223-L355 HydrophobicContact CB-CD2 3.6Å; P223-L355 HydrophobicContact CB-CG 3.87Å; P223-L355 HydrophobicContact CG-CD2 3.96Å; P223-L355 HydrophobicContact CG-CG 4.21Å; M351-L355 HydrophobicContact CG-CD1 4.12Å; M351-L355 VanDerWaalsContact O-CG 3.32Å; M351-L355 WeakPolarHBondContact O-CG 3.47Å; M351-L355 PolarHBondContact O-N 3.27Å; I352-L355 PolarHBondContact O-N 3.31Å; I353-L355 PolarHBondContact O-N 3.39Å; L355-S359 PolarHBondContact O-N 2.86Å; L355-S359 PolarHBondContact O-OG 3.03Å |
| 356 | G | 85.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.3 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M122 I352 I353 L354 S359 M360 | M122-G356 VanDerWaalsContact SD-CA 3.53Å; I352-G356 PolarHBondContact O-N 3.21Å; I353-G356 CarbonylContact O-C 3.6Å; I353-G356 WeakPolarHBondContact O-CA 3.21Å; I353-G356 PolarHBondContact O-N 2.85Å; I353-G356 VanDerWaalsContact O-N 3.13Å; L354-G356 VanDerWaalsContact C-N 3.3Å; L354-G356 PolarHBondContact O-N 2.96Å; G356-S359 WeakPolarHBondContact O-CB 3.48Å; G356-S359 PolarHBondContact O-N 3.3Å; G356-M360 WeakPolarHBondContact O-CB 3.49Å; G356-M360 VanDerWaalsContact O-CG 3.32Å; G356-M360 WeakPolarHBondContact O-CG 3.27Å; G356-M360 PolarHBondContact O-N 3.25Å |
| 357 | I | 84.5 | Confident | 87 | Confident | 19 Ų | 19 | 17 Ų | 17 | 10% | 0.097 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64 | -45.8 | -179.7 | -71.2 | 167.8 | 0 | 0 | 0 | 111.1 | M122 M216 I353 L354 S359 M360 F361 | M122-I357 HydrophobicContact SD-CG1 3.69Å; M122-I357 PolarHBondContact SD-N 2.61Å; M216-I357 HydrophobicContact CE-CD1 3.19Å; I353-I357 HydrophobicContact CG2-CD1 3.61Å; I353-I357 HydrophobicContact CG2-CG1 4.22Å; I353-I357 VanDerWaalsContact O-CG1 3.31Å; I353-I357 WeakPolarHBondContact O-CG1 3.35Å; I353-I357 PolarHBondContact O-N 3.48Å; L354-I357 PolarHBondContact O-N 3.46Å; I357-S359 PolarHBondContact O-N 2.96Å; I357-M360 PolarHBondContact O-N 3.3Å; I357-F361 WeakPolarHBondContact O-CB 3.17Å; I357-F361 PolarHBondContact O-N 2.95Å |
| 358 | D | 77.7 | Confident | 87.1 | Confident | 20 Ų | 20 | 16.8 Ų | 16.8 | 11% | 0.107 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 176.1 | -72.4 | -22.3 | 0 | 0 | 0 | 110.8 | A220 L354 A362 | A220-D358 WeakPolarHBondContact CA-OD1 3.29Å; A220-D358 WeakPolarHBondContact CA-OD2 3.43Å; A220-D358 WeakPolarHBondContact CB-OD1 2.98Å; L354-D358 PolarHBondContact O-N 3Å; L354-D358 VanDerWaalsContact O-N 3.11Å; D358-A362 WeakPolarHBondContact O-CB 3.45Å; D358-A362 PolarHBondContact O-N 3.2Å |
| 359 | S | 83.6 | Confident | 87.2 | Confident | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.2 | -47 | 177.1 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | F38 G41 L355 G356 I357 G363 | F38-S359 WeakPolarHBondContact CE2-O 3.27Å; G41-S359 WeakPolarHBondContact CA-OG 3.47Å; L355-S359 PolarHBondContact O-N 2.86Å; L355-S359 PolarHBondContact O-OG 3.03Å; G356-S359 WeakPolarHBondContact O-CB 3.48Å; G356-S359 PolarHBondContact O-N 3.3Å; I357-S359 PolarHBondContact O-N 2.96Å; S359-G363 PolarHBondContact O-N 3.43Å |
| 360 | M | 86.8 | Confident | 87.2 | Confident | 11 Ų | 11 | 16.9 Ų | 16.9 | 5% | 0.054 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -69.4 | -43.7 | -176.6 | -84.5 | -145.6 | 73.5 | 0 | 0 | 113.7 | T119 M122 T213 W214 G356 I357 A362 G363 V364 | T119-M360 HydrophobicContact CG2-CE 3.03Å; T119-M360 HydrophobicContact CG2-SD 3.16Å; T119-M360 WeakPolarHBondContact CG2-SD 3.28Å; M122-M360 HydrophobicContact CE-CB 4.09Å; M122-M360 HydrophobicContact CE-CG 3.31Å; M122-M360 HydrophobicContact CE-SD 3.02Å; M122-M360 WeakPolarHBondContact CE-SD 3.45Å; T213-M360 HydrophobicContact CG2-SD 4.08Å; W214-M360 HydrophobicContact CE3-CE 4.23Å; W214-M360 HydrophobicContact CH2-CE 3.27Å; W214-M360 HydrophobicContact CZ2-CE 3.79Å; W214-M360 HydrophobicContact CZ3-CE 3.53Å; G356-M360 WeakPolarHBondContact O-CB 3.49Å; G356-M360 VanDerWaalsContact O-CG 3.32Å; G356-M360 WeakPolarHBondContact O-CG 3.27Å; G356-M360 PolarHBondContact O-N 3.25Å; I357-M360 PolarHBondContact O-N 3.3Å; M360-A362 VanDerWaalsContact C-N 3.3Å; M360-A362 PolarHBondContact O-N 3.48Å; M360-G363 PolarHBondContact O-N 3.24Å; M360-V364 HydrophobicContact CE-CG2 4.43Å; M360-V364 WeakPolarHBondContact O-CB 3.12Å; M360-V364 VanDerWaalsContact O-CG2 3.31Å; M360-V364 WeakPolarHBondContact O-CG2 3.26Å; M360-V364 PolarHBondContact O-N 2.85Å |
| 361 | F | 83.9 | Confident | 87.1 | Confident | 115 Ų | 115 | 15.4 Ų | 15.4 | 50% | 0.504 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -59.4 | -47.3 | 178.2 | 179.7 | -98.7 | 0 | 0 | 0 | 110.3 | I357 E365 | I357-F361 WeakPolarHBondContact O-CB 3.17Å; I357-F361 PolarHBondContact O-N 2.95Å; F361-E365 WeakPolarHBondContact O-CB 3.22Å; F361-E365 PolarHBondContact O-N 3.08Å |
| 362 | A | 83.4 | Confident | 87.2 | Confident | 2 Ų | 2 | 15.6 Ų | 15.6 | 2% | 0.017 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F38 V278 F282 D358 M360 G366 | F38-A362 HydrophobicContact CB-CB 3.9Å; F38-A362 HydrophobicContact CD1-CB 4.36Å; F38-A362 HydrophobicContact CD2-CB 3.26Å; F38-A362 HydrophobicContact CE2-CB 3.82Å; F38-A362 HydrophobicContact CG-CB 3.61Å; V278-A362 HydrophobicContact CG1-CB 3.81Å; V278-A362 WeakPolarHBondContact CG1-O 3.32Å; F282-A362 HydrophobicContact CE1-CB 4.2Å; F282-A362 HydrophobicContact CE2-CB 3.95Å; F282-A362 HydrophobicContact CZ-CB 3.35Å; D358-A362 WeakPolarHBondContact O-CB 3.45Å; D358-A362 PolarHBondContact O-N 3.2Å; M360-A362 VanDerWaalsContact C-N 3.3Å; M360-A362 PolarHBondContact O-N 3.48Å; A362-G366 PolarHBondContact O-N 2.85Å |
| 363 | G | 90.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.1 | -51 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N111 N115 S359 M360 G366 F367 | N111-G363 PolarHBondContact ND2-O 2.81Å; N111-G363 WeakPolarHBondContact OD1-CA 3.28Å; N115-G363 VanDerWaalsContact ND2-C 3.28Å; N115-G363 PolarHBondContact ND2-O 3.22Å; N115-G363 WeakPolarHBondContact OD1-CA 3.42Å; S359-G363 PolarHBondContact O-N 3.43Å; M360-G363 PolarHBondContact O-N 3.24Å; G363-G366 PolarHBondContact O-N 2.86Å; G363-F367 PolarHBondContact O-N 3.22Å |
| 364 | V | 90.8 | Very high | 87 | Confident | 17 Ų | 17 | 20.8 Ų | 20.8 | 10% | 0.103 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.5 | -47.4 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | W214 M360 G366 F367 I368 | W214-V364 HydrophobicContact CH2-CG2 4.36Å; W214-V364 HydrophobicContact CZ3-CG2 3.98Å; M360-V364 HydrophobicContact CE-CG2 4.43Å; M360-V364 WeakPolarHBondContact O-CB 3.12Å; M360-V364 VanDerWaalsContact O-CG2 3.31Å; M360-V364 WeakPolarHBondContact O-CG2 3.26Å; M360-V364 PolarHBondContact O-N 2.85Å; V364-G366 VanDerWaalsContact C-N 3.3Å; V364-G366 PolarHBondContact O-N 2.61Å; V364-F367 WeakPolarHBondContact O-CB 3.42Å; V364-F367 PolarHBondContact O-N 2.77Å; V364-F367 VanDerWaalsContact O-N 3.09Å; V364-I368 HydrophobicContact CG1-CG1 4.03Å; V364-I368 VanDerWaalsContact O-CG1 3.23Å; V364-I368 WeakPolarHBondContact O-CG1 3.27Å; V364-I368 PolarHBondContact O-N 3.34Å |
| 365 | E | 87.5 | Confident | 87.1 | Confident | 36 Ų | 36 | 26.9 Ų | 26.9 | 17% | 0.168 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.9 | -41.3 | 177.7 | -178.9 | 56.1 | -145.5 | 0 | 0 | 111.9 | Y285 F361 F367 I368 A369 | Y285-E365 HydrophobicContact CE2-CG 4.06Å; Y285-E365 VanDerWaalsContact CE2-OE1 3.26Å; Y285-E365 WeakPolarHBondContact CE2-OE1 3.27Å; Y285-E365 PolarHBondContact OH-OE1 2.98Å; F361-E365 WeakPolarHBondContact O-CB 3.22Å; F361-E365 PolarHBondContact O-N 3.08Å; E365-F367 VanDerWaalsContact C-N 3.33Å; E365-F367 PolarHBondContact O-N 3.02Å; E365-I368 PolarHBondContact O-N 2.97Å; E365-A369 WeakPolarHBondContact O-CB 3.48Å; E365-A369 PolarHBondContact O-N 3.28Å |
| 366 | G | 91.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A362 G363 V364 A370 | A362-G366 PolarHBondContact O-N 2.85Å; G363-G366 PolarHBondContact O-N 2.86Å; V364-G366 VanDerWaalsContact C-N 3.3Å; V364-G366 PolarHBondContact O-N 2.61Å; G366-A370 WeakPolarHBondContact O-CB 3.17Å; G366-A370 PolarHBondContact O-N 3.1Å; G366-A370 VanDerWaalsContact O-N 3.12Å |
| 367 | F | 93 | Very high | 87.1 | Confident | 41 Ų | 41 | 39.5 Ų | 39.5 | 18% | 0.18 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.1 | -46.1 | 175.8 | -176.4 | -86.1 | 0 | 0 | 0 | 111.9 | T108 F112 G363 V364 E365 A369 A370 A371 V392 | T108-F367 HydrophobicContact CG2-CD2 3.52Å; T108-F367 HydrophobicContact CG2-CE2 3.77Å; T108-F367 HydrophobicContact CG2-CG 4.38Å; F112-F367 HydrophobicContact CB-CD2 4.08Å; F112-F367 HydrophobicContact CB-CE2 4.02Å; F112-F367 HydrophobicContact CD2-CD2 4.4Å; F112-F367 HydrophobicContact CD2-CE2 4Å; F112-F367 HydrophobicContact CD2-CZ 4.4Å; F112-F367 HydrophobicContact CG-CE2 4.35Å; G363-F367 PolarHBondContact O-N 3.22Å; V364-F367 WeakPolarHBondContact O-CB 3.42Å; V364-F367 PolarHBondContact O-N 2.77Å; V364-F367 VanDerWaalsContact O-N 3.09Å; E365-F367 VanDerWaalsContact C-N 3.33Å; E365-F367 PolarHBondContact O-N 3.02Å; F367-A369 PolarHBondContact O-N 3.27Å; F367-A370 WeakPolarHBondContact O-CB 3.39Å; F367-A370 PolarHBondContact O-N 3.33Å; F367-A371 PolarHBondContact O-N 3.29Å; F367-V392 HydrophobicContact CD1-CG1 3.87Å; F367-V392 HydrophobicContact CD1-CG2 3.92Å; F367-V392 HydrophobicContact CE1-CG1 4.11Å; F367-V392 HydrophobicContact CE1-CG2 3.63Å |
| 368 | I | 91.1 | Very high | 87.1 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 179.3 | -63.5 | -67.4 | 0 | 0 | 0 | 110.7 | V364 E365 A370 A371 G372 F388 V389 V392 | V364-I368 HydrophobicContact CG1-CG1 4.03Å; V364-I368 VanDerWaalsContact O-CG1 3.23Å; V364-I368 WeakPolarHBondContact O-CG1 3.27Å; V364-I368 PolarHBondContact O-N 3.34Å; E365-I368 PolarHBondContact O-N 2.97Å; I368-A370 VanDerWaalsContact C-N 3.32Å; I368-A370 PolarHBondContact O-N 3.4Å; I368-A371 PolarHBondContact O-N 3.33Å; I368-G372 WeakPolarHBondContact O-CA 3.3Å; I368-G372 PolarHBondContact O-N 2.86Å; I368-F388 HydrophobicContact CD1-CD1 3.51Å; I368-F388 HydrophobicContact CD1-CE1 3.41Å; I368-F388 VanDerWaalsContact CD1-CE1 3.41Å; I368-F388 HydrophobicContact CD1-CG 4.46Å; I368-F388 HydrophobicContact CD1-CZ 4.29Å; I368-F388 HydrophobicContact CG2-CD1 4.31Å; I368-F388 HydrophobicContact CG2-CE1 4.35Å; I368-V389 HydrophobicContact CD1-CB 4.41Å; I368-V389 HydrophobicContact CD1-CG2 3.87Å; I368-V389 HydrophobicContact CG1-CG2 4.03Å; I368-V389 HydrophobicContact CG2-CG2 4.27Å; I368-V392 HydrophobicContact CD1-CB 4.1Å; I368-V392 HydrophobicContact CD1-CG1 4.49Å; I368-V392 HydrophobicContact CD1-CG2 3.68Å |
| 369 | A | 90.4 | Very high | 87.6 | Confident | 5 Ų | 5 | 40.8 Ų | 40.8 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.2 | -43 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | R22 A281 E365 F367 | R22-A369 VanDerWaalsContact NH2-CB 3.29Å; A281-A369 HydrophobicContact CB-CB 3.7Å; E365-A369 WeakPolarHBondContact O-CB 3.48Å; E365-A369 PolarHBondContact O-N 3.28Å; F367-A369 PolarHBondContact O-N 3.27Å |
| 370 | A | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.6 | -45.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V90 I91 T108 G366 F367 I368 | V90-A370 HydrophobicContact CG1-CB 3.97Å; I91-A370 HydrophobicContact CD1-CB 3.96Å; I91-A370 HydrophobicContact CG1-CB 4.06Å; T108-A370 HydrophobicContact CG2-CB 3.96Å; G366-A370 WeakPolarHBondContact O-CB 3.17Å; G366-A370 PolarHBondContact O-N 3.1Å; G366-A370 VanDerWaalsContact O-N 3.12Å; F367-A370 WeakPolarHBondContact O-CB 3.39Å; F367-A370 PolarHBondContact O-N 3.33Å; I368-A370 VanDerWaalsContact C-N 3.32Å; I368-A370 PolarHBondContact O-N 3.4Å |
| 371 | A | 88.7 | Confident | 87.7 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 19% | 0.19 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.2 | -37.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F367 I368 D373 Y374 F388 | F367-A371 PolarHBondContact O-N 3.29Å; I368-A371 PolarHBondContact O-N 3.33Å; A371-D373 VanDerWaalsContact C-N 3.28Å; A371-D373 PolarHBondContact O-N 3.48Å; A371-Y374 PolarHBondContact O-N 3.25Å; A371-F388 HydrophobicContact CB-CE1 3.85Å; A371-F388 HydrophobicContact CB-CZ 3.55Å |
| 372 | G | 86.1 | Confident | 87.8 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.6 | -24.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I368 Y374 F375 | I368-G372 WeakPolarHBondContact O-CA 3.3Å; I368-G372 PolarHBondContact O-N 2.86Å; G372-Y374 PolarHBondContact O-N 3.33Å; G372-F375 CarbonylContact O-C 3.55Å; G372-F375 VanDerWaalsContact O-C 3.26Å; G372-F375 PolarHBondContact O-N 2.81Å; G372-F375 VanDerWaalsContact O-N 3.08Å |
| 373 | D | 85.9 | Confident | 88 | Confident | 24 Ų | 24 | 58.6 Ų | 58.6 | 13% | 0.128 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.3 | 176.4 | -78.3 | -24.5 | 0 | 0 | 0 | 113.7 | R22 R88 G89 A92 A371 | R22-D373 IonicContact NH1-OD1 2.74Å; R22-D373 PolarHBondContact NH1-OD1 3.19Å; R22-D373 IonicContact NH1-OD2 3.81Å; R88-D373 WeakPolarHBondContact CA-OD2 3.49Å; R88-D373 WeakPolarHBondContact CB-OD2 3.43Å; G89-D373 WeakPolarHBondContact CA-OD2 3.44Å; G89-D373 PolarHBondContact N-OD2 3.2Å; A92-D373 HydrophobicContact CB-CB 3.77Å; A92-D373 WeakPolarHBondContact CB-OD2 3.35Å; A371-D373 VanDerWaalsContact C-N 3.28Å; A371-D373 PolarHBondContact O-N 3.48Å |
| 374 | Y | 86.4 | Confident | 88 | Confident | 97 Ų | 97 | 61.9 Ų | 61.9 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -21.1 | 175 | -72.7 | -81.5 | 0 | 0 | 0 | 113.1 | I91 Y105 A371 G372 | I91-Y374 HydrophobicContact CB-CE2 4.06Å; I91-Y374 HydrophobicContact CD1-CE2 4.31Å; I91-Y374 HydrophobicContact CG2-CE2 3.72Å; I91-Y374 WeakPolarHBondContact CG2-OH 3.42Å; Y105-Y374 PolarHBondContact OH-OH 2.98Å; Y105-Y374 VanDerWaalsContact OH-OH 3.09Å; A371-Y374 PolarHBondContact O-N 3.25Å; G372-Y374 PolarHBondContact O-N 3.33Å |
| 375 | F | 87.1 | Confident | 87.7 | Confident | 136 Ų | 136 | 64 Ų | 64 | 60% | 0.596 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -127.1 | 52.3 | -179.4 | -53.9 | -75.3 | 0 | 0 | 0 | 111.9 | G372 R377 A378 M379 | G372-F375 CarbonylContact O-C 3.55Å; G372-F375 VanDerWaalsContact O-C 3.26Å; G372-F375 PolarHBondContact O-N 2.81Å; G372-F375 VanDerWaalsContact O-N 3.08Å; F375-R377 VanDerWaalsContact C-N 3.31Å; F375-R377 PolarHBondContact O-N 3.34Å; F375-A378 HydrophobicContact CB-CB 4.09Å; F375-A378 WeakPolarHBondContact O-CB 3.34Å; F375-A378 PolarHBondContact O-N 3.31Å; F375-M379 WeakPolarHBondContact O-CG 3.44Å; F375-M379 PolarHBondContact O-N 3.46Å |
| 376 | P | 83.5 | Confident | 87.7 | Confident | 54 Ų | 54 | 66.4 Ų | 66.4 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.3 | -35.4 | -168.3 | 25 | -34.7 | 0 | 0 | 0 | 112.8 | M379 A380 | P376-M379 PolarHBondContact O-N 3.35Å; P376-A380 WeakPolarHBondContact O-CB 3.43Å; P376-A380 PolarHBondContact O-N 3.11Å |
| 377 | R | 84.2 | Confident | 87.6 | Confident | 211 Ų | 211 | 71.8 Ų | 71.8 | 80% | 0.796 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67 | -38 | 176.7 | -65.9 | -177 | -174 | 159 | 3.8 | 112.3 | I20 F375 | I20-R377 HydrophobicContact CD1-CG 4.2Å; F375-R377 VanDerWaalsContact C-N 3.31Å; F375-R377 PolarHBondContact O-N 3.34Å |
| 378 | A | 85.4 | Confident | 87.5 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 28% | 0.281 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.5 | -44.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | F375 A380 N381 I384 | F375-A378 HydrophobicContact CB-CB 4.09Å; F375-A378 WeakPolarHBondContact O-CB 3.34Å; F375-A378 PolarHBondContact O-N 3.31Å; A378-A380 VanDerWaalsContact C-N 3.29Å; A378-A380 PolarHBondContact O-N 3.47Å; A378-N381 WeakPolarHBondContact O-CB 3.33Å; A378-N381 PolarHBondContact O-N 3.26Å; A378-N381 VanDerWaalsContact O-N 3.08Å; A378-I384 HydrophobicContact CB-CG2 4.15Å; A378-I384 WeakPolarHBondContact O-CB 3.16Å |
| 379 | M | 86.5 | Confident | 87.5 | Confident | 31 Ų | 31 | 74.2 Ų | 74.2 | 15% | 0.153 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.3 | -18.6 | 179.9 | -67.9 | -57.6 | 119.4 | 0 | 0 | 114.6 | F375 P376 N381 I384 F388 | F375-M379 WeakPolarHBondContact O-CG 3.44Å; F375-M379 PolarHBondContact O-N 3.46Å; P376-M379 PolarHBondContact O-N 3.35Å; M379-N381 VanDerWaalsContact C-N 3.25Å; M379-N381 PolarHBondContact O-N 3.19Å; M379-I384 HydrophobicContact CE-CG2 4.02Å; M379-F388 HydrophobicContact CE-CB 3.8Å; M379-F388 HydrophobicContact CE-CD1 3.94Å; M379-F388 HydrophobicContact CE-CG 3.85Å; M379-F388 HydrophobicContact SD-CB 4.24Å; M379-F388 HydrophobicContact SD-CD1 3.75Å; M379-F388 HydrophobicContact SD-CG 4.22Å |
| 380 | A | 85.2 | Confident | 87.4 | Confident | 54 Ų | 54 | 75.4 Ų | 75.4 | 45% | 0.446 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -25.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I20 P376 A378 K382 | I20-A380 HydrophobicContact CD1-CB 4.12Å; I20-A380 HydrophobicContact CG2-CB 3.97Å; P376-A380 WeakPolarHBondContact O-CB 3.43Å; P376-A380 PolarHBondContact O-N 3.11Å; A378-A380 VanDerWaalsContact C-N 3.29Å; A378-A380 PolarHBondContact O-N 3.47Å; A380-K382 PolarHBondContact O-N 2.81Å |
| 381 | N | 88.5 | Confident | 87.3 | Confident | 75 Ų | 75 | 78.7 Ų | 78.7 | 40% | 0.401 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -79.3 | 110.4 | 173.4 | -176.3 | -22 | 0 | 0 | 0 | 109.6 | A378 M379 R383 I384 H385 | A378-N381 WeakPolarHBondContact O-CB 3.33Å; A378-N381 PolarHBondContact O-N 3.26Å; A378-N381 VanDerWaalsContact O-N 3.08Å; M379-N381 VanDerWaalsContact C-N 3.25Å; M379-N381 PolarHBondContact O-N 3.19Å; N381-R383 PolarHBondContact O-N 3.45Å; N381-R383 VanDerWaalsContact O-N 3.1Å; N381-R383 PolarHBondContact OD1-N 2.92Å; N381-I384 HydrophobicContact CB-CB 4.21Å; N381-I384 HydrophobicContact CB-CD1 3.96Å; N381-I384 HydrophobicContact CB-CG1 4.05Å; N381-I384 PolarHBondContact O-N 2.71Å; N381-H385 PolarHBondContact O-N 3.47Å |
| 382 | K | 85.3 | Confident | 87.5 | Confident | 175 Ų | 175 | 78.2 Ų | 78.2 | 76% | 0.761 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -50.3 | -37.8 | 179.8 | -65.4 | -175.2 | 179.9 | -179.6 | 0 | 113.5 | A380 C386 | A380-K382 PolarHBondContact O-N 2.81Å; K382-C386 PolarHBondContact O-N 2.77Å; K382-C386 PolarHBondContact O-SG 3.38Å |
| 383 | R | 87.9 | Confident | 87.7 | Confident | 201 Ų | 201 | 79 Ų | 79 | 76% | 0.758 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.9 | -45.7 | 179.2 | -68.5 | -175.9 | -180 | 177.1 | 0.1 | 111.5 | N381 H385 C386 I387 | N381-R383 PolarHBondContact O-N 3.45Å; N381-R383 VanDerWaalsContact O-N 3.1Å; N381-R383 PolarHBondContact OD1-N 2.92Å; R383-H385 VanDerWaalsContact C-N 3.35Å; R383-C386 PolarHBondContact O-N 3.21Å; R383-I387 VanDerWaalsContact O-CG1 3.27Å; R383-I387 WeakPolarHBondContact O-CG1 3.32Å; R383-I387 PolarHBondContact O-N 3.4Å |
| 384 | I | 89.9 | Confident | 88 | Confident | 71 Ų | 71 | 82.6 Ų | 82.6 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 178.7 | -60.1 | 177.8 | 0 | 0 | 0 | 110.2 | A378 M379 N381 I387 F388 | A378-I384 HydrophobicContact CB-CG2 4.15Å; A378-I384 WeakPolarHBondContact O-CB 3.16Å; M379-I384 HydrophobicContact CE-CG2 4.02Å; N381-I384 HydrophobicContact CB-CB 4.21Å; N381-I384 HydrophobicContact CB-CD1 3.96Å; N381-I384 HydrophobicContact CB-CG1 4.05Å; N381-I384 PolarHBondContact O-N 2.71Å; I384-I387 PolarHBondContact O-N 3.43Å; I384-F388 WeakPolarHBondContact O-CB 3.02Å; I384-F388 PolarHBondContact O-N 2.93Å |
| 385 | H | 85.8 | Confident | 88.4 | Confident | 61 Ų | 61 | 80 Ų | 80 | 28% | 0.282 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -56.5 | -51.6 | 173.8 | -172.1 | 118.2 | 0 | 0 | 0 | 111.2 | N381 R383 I387 F388 V389 | N381-H385 PolarHBondContact O-N 3.47Å; R383-H385 VanDerWaalsContact C-N 3.35Å; H385-I387 VanDerWaalsContact C-N 3.34Å; H385-I387 PolarHBondContact O-N 3.48Å; H385-F388 PolarHBondContact O-N 3.29Å; H385-V389 WeakPolarHBondContact O-CG2 3.41Å; H385-V389 PolarHBondContact O-N 2.9Å |
| 386 | C | 87 | Confident | 88.7 | Confident | 87 Ų | 87 | 73.6 Ų | 73.6 | 59% | 0.588 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.5 | -40.2 | 178.6 | -67.9 | 0 | 0 | 0 | 0 | 112.6 | K382 R383 F388 V389 G390 | K382-C386 PolarHBondContact O-N 2.77Å; K382-C386 PolarHBondContact O-SG 3.38Å; R383-C386 PolarHBondContact O-N 3.21Å; C386-F388 VanDerWaalsContact C-N 3.34Å; C386-V389 PolarHBondContact O-N 3.21Å; C386-G390 PolarHBondContact O-N 3.1Å |
| 387 | I | 89.7 | Confident | 89.2 | Confident | 113 Ų | 113 | 73.1 Ų | 73.1 | 58% | 0.579 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.6 | -45 | 175.3 | -69.3 | 165.4 | 0 | 0 | 0 | 110.2 | R383 I384 H385 G390 C391 | R383-I387 VanDerWaalsContact O-CG1 3.27Å; R383-I387 WeakPolarHBondContact O-CG1 3.32Å; R383-I387 PolarHBondContact O-N 3.4Å; I384-I387 PolarHBondContact O-N 3.43Å; H385-I387 VanDerWaalsContact C-N 3.34Å; H385-I387 PolarHBondContact O-N 3.48Å; I387-G390 PolarHBondContact O-N 3.42Å; I387-C391 PolarHBondContact O-N 2.98Å; I387-C391 PolarHBondContact O-SG 2.96Å |
| 388 | F | 90.6 | Very high | 89.8 | Confident | 56 Ų | 56 | 68.1 Ų | 68.1 | 25% | 0.246 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 179.9 | -179.3 | -117.1 | 0 | 0 | 0 | 112.2 | I368 A371 M379 I384 H385 C386 G390 C391 V392 | I368-F388 HydrophobicContact CD1-CD1 3.51Å; I368-F388 HydrophobicContact CD1-CE1 3.41Å; I368-F388 VanDerWaalsContact CD1-CE1 3.41Å; I368-F388 HydrophobicContact CD1-CG 4.46Å; I368-F388 HydrophobicContact CD1-CZ 4.29Å; I368-F388 HydrophobicContact CG2-CD1 4.31Å; I368-F388 HydrophobicContact CG2-CE1 4.35Å; A371-F388 HydrophobicContact CB-CE1 3.85Å; A371-F388 HydrophobicContact CB-CZ 3.55Å; M379-F388 HydrophobicContact CE-CB 3.8Å; M379-F388 HydrophobicContact CE-CD1 3.94Å; M379-F388 HydrophobicContact CE-CG 3.85Å; M379-F388 HydrophobicContact SD-CB 4.24Å; M379-F388 HydrophobicContact SD-CD1 3.75Å; M379-F388 HydrophobicContact SD-CG 4.22Å; I384-F388 WeakPolarHBondContact O-CB 3.02Å; I384-F388 PolarHBondContact O-N 2.93Å; H385-F388 PolarHBondContact O-N 3.29Å; C386-F388 VanDerWaalsContact C-N 3.34Å; F388-G390 VanDerWaalsContact C-N 3.32Å; F388-G390 PolarHBondContact O-N 2.97Å; F388-C391 PolarHBondContact O-N 2.84Å; F388-V392 HydrophobicContact CE1-CG2 4.4Å; F388-V392 HydrophobicContact CE2-CG2 4.2Å; F388-V392 HydrophobicContact CZ-CG2 4.07Å; F388-V392 WeakPolarHBondContact O-CG2 3.32Å; F388-V392 PolarHBondContact O-N 3.48Å |
| 389 | V | 89.5 | Confident | 90.3 | Very high | 41 Ų | 41 | 68.6 Ų | 68.6 | 25% | 0.248 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57 | -47.4 | 172.2 | 175 | 0 | 0 | 0 | 0 | 110.5 | I368 H385 C386 C391 V392 C393 | I368-V389 HydrophobicContact CD1-CB 4.41Å; I368-V389 HydrophobicContact CD1-CG2 3.87Å; I368-V389 HydrophobicContact CG1-CG2 4.03Å; I368-V389 HydrophobicContact CG2-CG2 4.27Å; H385-V389 WeakPolarHBondContact O-CG2 3.41Å; H385-V389 PolarHBondContact O-N 2.9Å; C386-V389 PolarHBondContact O-N 3.21Å; V389-C391 VanDerWaalsContact C-N 3.34Å; V389-C391 PolarHBondContact O-N 3.32Å; V389-V392 PolarHBondContact O-N 3.5Å; V389-C393 PolarHBondContact O-N 3.5Å; V389-C393 PolarHBondContact O-SG 2.97Å |
| 390 | G | 89.3 | Confident | 90.8 | Very high | 30 Ų | 30 | 67.1 Ų | 67.1 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.5 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | C386 I387 F388 C393 I394 | C386-G390 PolarHBondContact O-N 3.1Å; I387-G390 PolarHBondContact O-N 3.42Å; F388-G390 VanDerWaalsContact C-N 3.32Å; F388-G390 PolarHBondContact O-N 2.97Å; G390-C393 PolarHBondContact O-N 2.74Å; G390-I394 WeakPolarHBondContact O-CB 3.36Å; G390-I394 WeakPolarHBondContact O-CD1 3.38Å; G390-I394 WeakPolarHBondContact O-CG1 3.5Å; G390-I394 PolarHBondContact O-N 2.88Å |
| 391 | C | 91.7 | Very high | 91.4 | Very high | 68 Ų | 68 | 66 Ų | 66 | 46% | 0.459 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 175.8 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | I387 F388 V389 I394 A395 | I387-C391 PolarHBondContact O-N 2.98Å; I387-C391 PolarHBondContact O-SG 2.96Å; F388-C391 PolarHBondContact O-N 2.84Å; V389-C391 VanDerWaalsContact C-N 3.34Å; V389-C391 PolarHBondContact O-N 3.32Å; C391-I394 PolarHBondContact O-N 3.5Å; C391-A395 WeakPolarHBondContact O-CB 3.02Å; C391-A395 PolarHBondContact O-N 3.28Å |
| 392 | V | 91.7 | Very high | 91.8 | Very high | 13 Ų | 13 | 64.4 Ų | 64.4 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.7 | -49.1 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | F367 I368 F388 V389 I394 A395 T396 | F367-V392 HydrophobicContact CD1-CG1 3.87Å; F367-V392 HydrophobicContact CD1-CG2 3.92Å; F367-V392 HydrophobicContact CE1-CG1 4.11Å; F367-V392 HydrophobicContact CE1-CG2 3.63Å; I368-V392 HydrophobicContact CD1-CB 4.1Å; I368-V392 HydrophobicContact CD1-CG1 4.49Å; I368-V392 HydrophobicContact CD1-CG2 3.68Å; F388-V392 HydrophobicContact CE1-CG2 4.4Å; F388-V392 HydrophobicContact CE2-CG2 4.2Å; F388-V392 HydrophobicContact CZ-CG2 4.07Å; F388-V392 WeakPolarHBondContact O-CG2 3.32Å; F388-V392 PolarHBondContact O-N 3.48Å; V389-V392 PolarHBondContact O-N 3.5Å; V392-I394 VanDerWaalsContact C-N 3.32Å; V392-I394 PolarHBondContact O-N 3.3Å; V392-A395 PolarHBondContact O-N 3.23Å; V392-A395 VanDerWaalsContact O-N 3.15Å; V392-T396 PolarHBondContact O-N 3.48Å; V392-T396 PolarHBondContact O-OG1 3.39Å |
| 393 | C | 91.2 | Very high | 92.4 | Very high | 26 Ų | 26 | 56.1 Ų | 56.1 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59 | -41.3 | 177.4 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | W214 V389 G390 T396 Y397 | W214-C393 HydrophobicContact CD2-CB 4.15Å; W214-C393 HydrophobicContact CE3-CB 3.54Å; W214-C393 VanDerWaalsContact CE3-SG 3.55Å; W214-C393 HydrophobicContact CZ3-CB 3.79Å; W214-C393 VanDerWaalsContact CZ3-SG 3.53Å; V389-C393 PolarHBondContact O-N 3.5Å; V389-C393 PolarHBondContact O-SG 2.97Å; G390-C393 PolarHBondContact O-N 2.74Å; C393-T396 WeakPolarHBondContact CA-OG1 3.39Å; C393-T396 PolarHBondContact O-OG1 3.41Å; C393-Y397 WeakPolarHBondContact O-CB 3.46Å; C393-Y397 PolarHBondContact O-N 3.05Å |
| 394 | I | 92.2 | Very high | 92.9 | Very high | 101 Ų | 101 | 46.6 Ų | 46.6 | 52% | 0.518 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 175.8 | -69.8 | 164.5 | 0 | 0 | 0 | 110.4 | G390 C391 V392 Y397 L398 | G390-I394 WeakPolarHBondContact O-CB 3.36Å; G390-I394 WeakPolarHBondContact O-CD1 3.38Å; G390-I394 WeakPolarHBondContact O-CG1 3.5Å; G390-I394 PolarHBondContact O-N 2.88Å; C391-I394 PolarHBondContact O-N 3.5Å; V392-I394 VanDerWaalsContact C-N 3.32Å; V392-I394 PolarHBondContact O-N 3.3Å; I394-Y397 WeakPolarHBondContact O-CB 3.41Å; I394-Y397 PolarHBondContact O-N 3.36Å; I394-L398 HydrophobicContact CG2-CD1 4.13Å; I394-L398 HydrophobicContact CG2-CG 4.4Å; I394-L398 VanDerWaalsContact O-CG 3.27Å; I394-L398 WeakPolarHBondContact O-CG 3.41Å; I394-L398 PolarHBondContact O-N 3.28Å |
| 395 | A | 93.9 | Very high | 93.3 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 35% | 0.347 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C391 V392 L398 V399 | C391-A395 WeakPolarHBondContact O-CB 3.02Å; C391-A395 PolarHBondContact O-N 3.28Å; V392-A395 PolarHBondContact O-N 3.23Å; V392-A395 VanDerWaalsContact O-N 3.15Å; A395-L398 PolarHBondContact O-N 2.96Å; A395-V399 WeakPolarHBondContact O-CG2 3.18Å; A395-V399 PolarHBondContact O-N 3.14Å; A395-V399 VanDerWaalsContact O-N 3.09Å |
| 396 | T | 93.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.3 | -33.4 | 176.3 | 45.6 | 0 | 0 | 0 | 0 | 112.4 | F112 W214 V392 C393 V399 G400 | F112-T396 HydrophobicContact CD2-CG2 3.86Å; F112-T396 HydrophobicContact CE2-CG2 3.43Å; F112-T396 VanDerWaalsContact CE2-CG2 3.43Å; F112-T396 HydrophobicContact CZ-CG2 4.15Å; W214-T396 HydrophobicContact CH2-CG2 4.35Å; W214-T396 WeakPolarHBondContact CH2-OG1 3.3Å; W214-T396 VanDerWaalsContact CZ2-CB 3.47Å; W214-T396 WeakPolarHBondContact CZ2-OG1 3.19Å; V392-T396 PolarHBondContact O-N 3.48Å; V392-T396 PolarHBondContact O-OG1 3.39Å; C393-T396 WeakPolarHBondContact CA-OG1 3.39Å; C393-T396 PolarHBondContact O-OG1 3.41Å; T396-V399 PolarHBondContact O-N 2.86Å; T396-G400 PolarHBondContact O-N 2.95Å |
| 397 | Y | 94.3 | Very high | 94.3 | Very high | 45 Ų | 45 | 38.2 Ų | 38.2 | 18% | 0.176 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -47.5 | 170.4 | 170.6 | -100.5 | 0 | 0 | 0 | 111.5 | L210 L211 W214 C393 I394 V399 G400 L401 | L210-Y397 HydrophobicContact CB-CE2 4.21Å; L210-Y397 HydrophobicContact CD2-CD2 3.79Å; L210-Y397 HydrophobicContact CD2-CE2 3.86Å; L210-Y397 HydrophobicContact CG-CD2 3.75Å; L210-Y397 HydrophobicContact CG-CE2 3.89Å; L211-Y397 HydrophobicContact CB-CE2 3.89Å; L211-Y397 HydrophobicContact CD1-CE2 4.3Å; W214-Y397 AromaticContact CD1-CD2 3.7Å; W214-Y397 AromaticContact NE1-CD2 3.94Å; C393-Y397 WeakPolarHBondContact O-CB 3.46Å; C393-Y397 PolarHBondContact O-N 3.05Å; I394-Y397 WeakPolarHBondContact O-CB 3.41Å; I394-Y397 PolarHBondContact O-N 3.36Å; Y397-V399 VanDerWaalsContact C-N 3.31Å; Y397-V399 PolarHBondContact O-N 3.15Å; Y397-G400 CarbonylContact O-C 3.57Å; Y397-G400 WeakPolarHBondContact O-CA 3.33Å; Y397-G400 PolarHBondContact O-N 3.13Å; Y397-G400 VanDerWaalsContact O-N 3.08Å; Y397-L401 HydrophobicContact CD1-CD1 4.32Å; Y397-L401 HydrophobicContact CD1-CG 4.42Å; Y397-L401 HydrophobicContact CE1-CD1 3.72Å; Y397-L401 HydrophobicContact CE1-CD2 4.27Å; Y397-L401 HydrophobicContact CE1-CG 4Å; Y397-L401 HydrophobicContact CE2-CD2 4.18Å; Y397-L401 HydrophobicContact CE2-CG 4.46Å; Y397-L401 PolarHBondContact O-N 3.2Å |
| 398 | L | 96.5 | Very high | 94.7 | Very high | 106 Ų | 106 | 32.8 Ų | 32.8 | 56% | 0.555 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -62.4 | -37.4 | 178.7 | -69.3 | 174.1 | 0 | 0 | 0 | 112.3 | I394 A395 L401 | I394-L398 HydrophobicContact CG2-CD1 4.13Å; I394-L398 HydrophobicContact CG2-CG 4.4Å; I394-L398 VanDerWaalsContact O-CG 3.27Å; I394-L398 WeakPolarHBondContact O-CG 3.41Å; I394-L398 PolarHBondContact O-N 3.28Å; A395-L398 PolarHBondContact O-N 2.96Å; L398-L401 HydrophobicContact CD2-CD1 4.14Å; L398-L401 WeakPolarHBondContact O-CB 3.03Å; L398-L401 PolarHBondContact O-N 2.82Å |
| 399 | V | 96.7 | Very high | 95 | Very high | 44 Ų | 44 | 30.2 Ų | 30.2 | 27% | 0.267 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -68 | -43 | 171.6 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | F112 C116 A395 T396 Y397 L401 S402 M403 F415 | F112-V399 HydrophobicContact CZ-CG2 4.45Å; C116-V399 HydrophobicContact CB-CB 4.35Å; C116-V399 HydrophobicContact CB-CG1 3.85Å; A395-V399 WeakPolarHBondContact O-CG2 3.18Å; A395-V399 PolarHBondContact O-N 3.14Å; A395-V399 VanDerWaalsContact O-N 3.09Å; T396-V399 PolarHBondContact O-N 2.86Å; Y397-V399 VanDerWaalsContact C-N 3.31Å; Y397-V399 PolarHBondContact O-N 3.15Å; V399-L401 PolarHBondContact O-N 2.79Å; V399-S402 WeakPolarHBondContact O-CB 3.14Å; V399-S402 PolarHBondContact O-N 3.37Å; V399-S402 VanDerWaalsContact O-N 3.08Å; V399-S402 PolarHBondContact O-OG 3.47Å; V399-M403 HydrophobicContact CG1-CE 4.1Å; V399-F415 HydrophobicContact CG1-CE1 3.98Å; V399-F415 HydrophobicContact CG1-CZ 3.74Å |
| 400 | G | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.9 | -31.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T396 Y397 S402 M403 V404 | T396-G400 PolarHBondContact O-N 2.95Å; Y397-G400 CarbonylContact O-C 3.57Å; Y397-G400 WeakPolarHBondContact O-CA 3.33Å; Y397-G400 PolarHBondContact O-N 3.13Å; Y397-G400 VanDerWaalsContact O-N 3.08Å; G400-S402 PolarHBondContact O-N 3.13Å; G400-M403 WeakPolarHBondContact O-CB 2.71Å; G400-M403 PolarHBondContact O-N 2.91Å; G400-V404 PolarHBondContact O-N 2.78Å |
| 401 | L | 97.6 | Very high | 95.7 | Very high | 29 Ų | 29 | 27.7 Ų | 27.7 | 15% | 0.152 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.7 | -33 | 174.5 | -75.6 | -180 | 0 | 0 | 0 | 112.8 | I202 A207 L210 Y397 L398 V399 M403 V404 | I202-L401 HydrophobicContact CG2-CD2 4.24Å; A207-L401 HydrophobicContact CB-CD2 3.81Å; L210-L401 HydrophobicContact CD2-CD2 4.17Å; L210-L401 HydrophobicContact CD2-CG 4.48Å; Y397-L401 HydrophobicContact CD1-CD1 4.32Å; Y397-L401 HydrophobicContact CD1-CG 4.42Å; Y397-L401 HydrophobicContact CE1-CD1 3.72Å; Y397-L401 HydrophobicContact CE1-CD2 4.27Å; Y397-L401 HydrophobicContact CE1-CG 4Å; Y397-L401 HydrophobicContact CE2-CD2 4.18Å; Y397-L401 HydrophobicContact CE2-CG 4.46Å; Y397-L401 PolarHBondContact O-N 3.2Å; L398-L401 HydrophobicContact CD2-CD1 4.14Å; L398-L401 WeakPolarHBondContact O-CB 3.03Å; L398-L401 PolarHBondContact O-N 2.82Å; V399-L401 PolarHBondContact O-N 2.79Å; L401-M403 PolarHBondContact O-N 3.43Å; L401-V404 HydrophobicContact CD2-CG2 3.99Å; L401-V404 VanDerWaalsContact O-CG2 3.3Å; L401-V404 WeakPolarHBondContact O-CG2 3.43Å; L401-V404 PolarHBondContact O-N 3.47Å |
| 402 | S | 96.8 | Very high | 95.9 | Very high | 42 Ų | 42 | 24.4 Ų | 24.4 | 29% | 0.294 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -62.8 | -26.3 | 176.5 | 71.6 | 0 | 0 | 0 | 0 | 113.1 | V399 G400 T405 G408 | V399-S402 WeakPolarHBondContact O-CB 3.14Å; V399-S402 PolarHBondContact O-N 3.37Å; V399-S402 VanDerWaalsContact O-N 3.08Å; V399-S402 PolarHBondContact O-OG 3.47Å; G400-S402 PolarHBondContact O-N 3.13Å; S402-T405 PolarHBondContact O-OG1 3.46Å; S402-G408 WeakPolarHBondContact O-CA 3.32Å |
| 403 | M | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -95.2 | -4.1 | -176.5 | -60.8 | 177.6 | -133.6 | 0 | 0 | 113.6 | C116 Y117 V120 V399 G400 L401 G408 V411 F412 F415 | C116-M403 HydrophobicContact CB-CE 4.03Å; Y117-M403 VanDerWaalsContact CB-SD 3.51Å; V120-M403 HydrophobicContact CB-CB 4.48Å; V120-M403 HydrophobicContact CG1-CB 4.08Å; V120-M403 HydrophobicContact CG2-CB 3.71Å; V120-M403 HydrophobicContact CG2-CG 4.43Å; V120-M403 HydrophobicContact CG2-SD 3.97Å; V399-M403 HydrophobicContact CG1-CE 4.1Å; G400-M403 WeakPolarHBondContact O-CB 2.71Å; G400-M403 PolarHBondContact O-N 2.91Å; L401-M403 PolarHBondContact O-N 3.43Å; M403-G408 CarbonylContact O-C 3.56Å; M403-G408 WeakPolarHBondContact O-CA 3.24Å; M403-V411 HydrophobicContact CG-CB 4.17Å; M403-V411 HydrophobicContact CG-CG1 3.87Å; M403-F412 HydrophobicContact CB-CB 4.32Å; M403-F412 HydrophobicContact CG-CB 4.31Å; M403-F412 HydrophobicContact SD-CB 4.31Å; M403-F412 HydrophobicContact SD-CD2 4.27Å; M403-F415 HydrophobicContact CE-CB 4.34Å; M403-F415 HydrophobicContact CE-CD1 3.6Å; M403-F415 HydrophobicContact CE-CD2 3.66Å; M403-F415 HydrophobicContact CE-CE1 3.68Å; M403-F415 HydrophobicContact CE-CE2 3.75Å; M403-F415 HydrophobicContact CE-CG 3.59Å; M403-F415 HydrophobicContact CE-CZ 3.75Å; M403-F415 HydrophobicContact SD-CB 4.42Å; M403-F415 HydrophobicContact SD-CD2 4.35Å; M403-F415 HydrophobicContact SD-CG 4.24Å |
| 404 | V | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -109.3 | 21.7 | 173.8 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | V120 I202 Q203 L206 L210 G400 L401 | V120-V404 HydrophobicContact CG1-CG1 3.96Å; I202-V404 HydrophobicContact CG2-CG2 4.31Å; Q203-V404 VanDerWaalsContact CB-O 3.32Å; Q203-V404 WeakPolarHBondContact CB-O 2.97Å; Q203-V404 WeakPolarHBondContact CG-O 3.4Å; Q203-V404 PolarHBondContact N-O 2.9Å; L206-V404 HydrophobicContact CB-CB 3.9Å; L206-V404 HydrophobicContact CB-CG1 4.03Å; L206-V404 HydrophobicContact CD1-CB 4.4Å; L210-V404 HydrophobicContact CD2-CG1 4.41Å; L210-V404 HydrophobicContact CD2-CG2 4.36Å; G400-V404 PolarHBondContact O-N 2.78Å; L401-V404 HydrophobicContact CD2-CG2 3.99Å; L401-V404 VanDerWaalsContact O-CG2 3.3Å; L401-V404 WeakPolarHBondContact O-CG2 3.43Å; L401-V404 PolarHBondContact O-N 3.47Å |
| 405 | T | 98.1 | Very high | 96.4 | Very high | 13 Ų | 13 | 19.5 Ų | 19.5 | 8% | 0.08 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -87.8 | 171.4 | 169.7 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | I199 T201 I202 S402 G407 G408 | I199-T405 WeakPolarHBondContact CD1-OG1 3.42Å; I199-T405 HydrophobicContact CG1-CG2 4.14Å; I199-T405 WeakPolarHBondContact CG1-OG1 3.37Å; I199-T405 VanDerWaalsContact O-CB 3.27Å; I199-T405 WeakPolarHBondContact O-CB 3.19Å; I199-T405 PolarHBondContact O-OG1 3.23Å; T201-T405 CarbonylContact O-C 3.51Å; T201-T405 WeakPolarHBondContact O-CA 3.38Å; T201-T405 WeakPolarHBondContact O-CB 3.1Å; I202-T405 HydrophobicContact CG1-CG2 3.84Å; S402-T405 PolarHBondContact O-OG1 3.46Å; T405-G407 PolarHBondContact O-N 3.05Å; T405-G408 WeakPolarHBondContact O-CA 3.2Å; T405-G408 PolarHBondContact O-N 3.07Å; T405-G408 VanDerWaalsContact OG1-CA 3.27Å; T405-G408 WeakPolarHBondContact OG1-CA 3.47Å; T405-G408 PolarHBondContact OG1-N 3.25Å |
| 406 | N | 97.8 | Very high | 96.3 | Very high | 30 Ų | 30 | 18.7 Ų | 18.7 | 16% | 0.16 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -39.5 | 172.2 | -62.9 | 77.9 | 0 | 0 | 0 | 112.4 | H191 L192 S193 I199 T201 Q203 G408 | H191-N406 WeakPolarHBondContact O-CB 3.39Å; H191-N406 PolarHBondContact O-ND2 3.49Å; L192-N406 WeakPolarHBondContact CA-O 3.33Å; S193-N406 PolarHBondContact N-O 3.49Å; S193-N406 PolarHBondContact OG-O 2.94Å; I199-N406 PolarHBondContact O-N 2.59Å; T201-N406 PolarHBondContact N-OD1 2.91Å; T201-N406 PolarHBondContact O-N 3.27Å; T201-N406 VanDerWaalsContact O-N 3.13Å; T201-N406 PolarHBondContact O-OD1 3.48Å; T201-N406 PolarHBondContact OG1-OD1 2.98Å; Q203-N406 PolarHBondContact NE2-ND2 3.28Å; N406-G408 VanDerWaalsContact C-N 3.32Å |
| 407 | G | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 4.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S193 I199 T405 M409 Y410 | S193-G407 VanDerWaalsContact OG-CA 3.26Å; S193-G407 WeakPolarHBondContact OG-CA 3.37Å; S193-G407 PolarHBondContact OG-N 3.43Å; I199-G407 PolarHBondContact O-N 3.27Å; T405-G407 PolarHBondContact O-N 3.05Å; G407-M409 VanDerWaalsContact C-N 3.29Å; G407-M409 PolarHBondContact O-N 3.36Å; G407-Y410 VanDerWaalsContact O-CD2 3.23Å; G407-Y410 WeakPolarHBondContact O-CD2 3.44Å; G407-Y410 PolarHBondContact O-N 3.2Å; G407-Y410 VanDerWaalsContact O-N 3.12Å |
| 408 | G | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.5 | -29.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S402 M403 T405 N406 Y410 V411 F412 | S402-G408 WeakPolarHBondContact O-CA 3.32Å; M403-G408 CarbonylContact O-C 3.56Å; M403-G408 WeakPolarHBondContact O-CA 3.24Å; T405-G408 WeakPolarHBondContact O-CA 3.2Å; T405-G408 PolarHBondContact O-N 3.07Å; T405-G408 VanDerWaalsContact OG1-CA 3.27Å; T405-G408 WeakPolarHBondContact OG1-CA 3.47Å; T405-G408 PolarHBondContact OG1-N 3.25Å; N406-G408 VanDerWaalsContact C-N 3.32Å; G408-Y410 VanDerWaalsContact C-N 3.27Å; G408-Y410 PolarHBondContact O-N 3.03Å; G408-V411 PolarHBondContact O-N 3.04Å; G408-V411 VanDerWaalsContact O-N 3.16Å; G408-F412 WeakPolarHBondContact O-CB 3.28Å; G408-F412 PolarHBondContact O-N 3.42Å |
| 409 | M | 96.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.1 | -35.6 | 175 | -170 | 62.9 | -133.8 | 0 | 0 | 112.1 | W124 W185 L190 L192 P324 G407 F412 Q413 Y488 | W124-M409 HydrophobicContact CH2-CE 4.22Å; W124-M409 HydrophobicContact CH2-SD 3.74Å; W124-M409 HydrophobicContact CZ2-SD 3.92Å; W185-M409 HydrophobicContact CZ2-SD 4.13Å; L190-M409 HydrophobicContact CD1-CB 4.11Å; L190-M409 HydrophobicContact CD1-CG 4.02Å; L190-M409 HydrophobicContact CD1-SD 4.04Å; L192-M409 HydrophobicContact CD1-CB 3.51Å; L192-M409 HydrophobicContact CD1-CG 4.2Å; P324-M409 HydrophobicContact CB-CE 4.22Å; P324-M409 HydrophobicContact CG-CE 3.88Å; G407-M409 VanDerWaalsContact C-N 3.29Å; G407-M409 PolarHBondContact O-N 3.36Å; M409-F412 HydrophobicContact CE-CD1 3.65Å; M409-F412 HydrophobicContact CE-CE1 4.23Å; M409-F412 HydrophobicContact CE-CG 4.38Å; M409-F412 WeakPolarHBondContact O-CB 3.45Å; M409-F412 PolarHBondContact O-N 2.79Å; M409-Q413 HydrophobicContact CE-CG 3.97Å; M409-Q413 VanDerWaalsContact O-CG 3.28Å; M409-Q413 WeakPolarHBondContact O-CG 3.33Å; M409-Q413 PolarHBondContact O-N 3.42Å; M409-Q413 VanDerWaalsContact O-N 3.08Å; M409-Y488 HydrophobicContact CE-CE2 4.23Å; M409-Y488 HydrophobicContact CG-CE1 3.95Å; M409-Y488 HydrophobicContact CG-CE2 4.43Å |
| 410 | Y | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -70.8 | -39.9 | 176.4 | -51.6 | -69.4 | 0 | 0 | 0 | 111.6 | L192 S193 G195 I196 G407 G408 F412 Q413 L414 Y488 R490 Y497 F499 | L192-Y410 HydrophobicContact CD1-CE2 3.89Å; L192-Y410 WeakPolarHBondContact CD1-OH 3.5Å; L192-Y410 WeakPolarHBondContact CG-OH 3.32Å; S193-Y410 PolarHBondContact O-OH 2.93Å; G195-Y410 VanDerWaalsContact C-CE2 3.41Å; I196-Y410 HydrophobicContact CB-CD2 4.32Å; I196-Y410 HydrophobicContact CB-CG 4.11Å; G407-Y410 VanDerWaalsContact O-CD2 3.23Å; G407-Y410 WeakPolarHBondContact O-CD2 3.44Å; G407-Y410 PolarHBondContact O-N 3.2Å; G407-Y410 VanDerWaalsContact O-N 3.12Å; G408-Y410 VanDerWaalsContact C-N 3.27Å; G408-Y410 PolarHBondContact O-N 3.03Å; Y410-F412 VanDerWaalsContact C-N 3.32Å; Y410-Q413 PolarHBondContact O-N 3.17Å; Y410-L414 PolarHBondContact O-N 2.54Å; Y410-L414 VanDerWaalsContact O-N 3.17Å; Y410-Y488 HydrophobicContact CD1-CD1 4.13Å; Y410-Y488 AromaticContact CE1-CD1 3.73Å; Y410-Y488 HydrophobicContact CE1-CD1 3.73Å; Y410-Y488 HydrophobicContact CE1-CE1 4.2Å; Y410-R490 VanDerWaalsContact CE1-NH2 3.29Å; Y410-R490 VanDerWaalsContact CZ-NH2 3.28Å; Y410-R490 PolarHBondContact OH-NE 2.98Å; Y410-R490 PolarHBondContact OH-NH1 3.41Å; Y410-R490 PolarHBondContact OH-NH2 2.87Å; Y410-Y497 AromaticContact CD1-CD1 3.79Å; Y410-Y497 HydrophobicContact CD1-CD1 3.79Å; Y410-Y497 AromaticContact CD1-CE1 3.74Å; Y410-Y497 HydrophobicContact CD1-CE1 3.74Å; Y410-Y497 HydrophobicContact CD1-CG 4.45Å; Y410-Y497 AromaticContact CE1-CD1 3.9Å; Y410-Y497 HydrophobicContact CE1-CD1 3.9Å; Y410-Y497 HydrophobicContact CE1-CD2 4.48Å; Y410-Y497 HydrophobicContact CE1-CE1 4.1Å; Y410-Y497 HydrophobicContact CE1-CG 4.1Å; Y410-Y497 HydrophobicContact CG-CE1 4.46Å; Y410-F499 HydrophobicContact CD1-CZ 4.18Å; Y410-F499 WeakPolarHBondContact O-CE1 3.47Å |
| 411 | V | 97.1 | Very high | 93.4 | Very high | 18 Ų | 18 | 12.6 Ų | 12.6 | 11% | 0.109 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 175 | -176.3 | 0 | 0 | 0 | 0 | 110 | I196 I199 M403 G408 Q413 L414 F415 | I196-V411 HydrophobicContact CD1-CG2 4.4Å; I196-V411 HydrophobicContact CG1-CG2 4.35Å; I199-V411 HydrophobicContact CD1-CG2 4Å; M403-V411 HydrophobicContact CG-CB 4.17Å; M403-V411 HydrophobicContact CG-CG1 3.87Å; G408-V411 PolarHBondContact O-N 3.04Å; G408-V411 VanDerWaalsContact O-N 3.16Å; V411-Q413 VanDerWaalsContact C-N 3.32Å; V411-Q413 PolarHBondContact O-N 3.14Å; V411-L414 WeakPolarHBondContact O-CB 3.46Å; V411-L414 PolarHBondContact O-N 2.88Å; V411-L414 VanDerWaalsContact O-N 3.14Å; V411-F415 HydrophobicContact CG1-CD2 4.16Å; V411-F415 HydrophobicContact CG1-CE2 4.06Å; V411-F415 WeakPolarHBondContact O-CD2 3.27Å; V411-F415 PolarHBondContact O-N 3.4Å; V411-F415 VanDerWaalsContact O-N 3.15Å |
| 412 | F | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -54.5 | -47.1 | 174.1 | 176.3 | -81.6 | 0 | 0 | 0 | 111.8 | W46 Y117 V120 I121 W124 P324 M403 G408 M409 Y410 L414 F415 D416 | W46-F412 AromaticContact CH2-CZ 3.97Å; W46-F412 HydrophobicContact CH2-CZ 3.97Å; Y117-F412 HydrophobicContact CD2-CD2 4.28Å; Y117-F412 AromaticContact CD2-CE2 3.56Å; Y117-F412 HydrophobicContact CD2-CE2 3.56Å; Y117-F412 AromaticContact CD2-CZ 3.68Å; Y117-F412 HydrophobicContact CD2-CZ 3.68Å; Y117-F412 HydrophobicContact CE2-CZ 4.23Å; Y117-F412 HydrophobicContact CG-CE2 4.3Å; V120-F412 HydrophobicContact CB-CD2 4.19Å; V120-F412 HydrophobicContact CB-CE2 4.4Å; V120-F412 HydrophobicContact CG1-CD2 4.18Å; I121-F412 HydrophobicContact CD1-CE2 4.43Å; I121-F412 HydrophobicContact CD1-CZ 4.29Å; I121-F412 HydrophobicContact CG1-CE2 3.78Å; I121-F412 HydrophobicContact CG1-CZ 3.95Å; W124-F412 HydrophobicContact CH2-CB 4.41Å; W124-F412 AromaticContact CH2-CD1 3.97Å; W124-F412 HydrophobicContact CH2-CD1 3.97Å; W124-F412 AromaticContact CH2-CD2 3.49Å; W124-F412 HydrophobicContact CH2-CD2 3.49Å; W124-F412 VanDerWaalsContact CH2-CD2 3.49Å; W124-F412 HydrophobicContact CH2-CE1 4.13Å; W124-F412 AromaticContact CH2-CE2 3.62Å; W124-F412 HydrophobicContact CH2-CE2 3.62Å; W124-F412 AromaticContact CH2-CG 3.68Å; W124-F412 HydrophobicContact CH2-CG 3.68Å; W124-F412 AromaticContact CH2-CZ 3.97Å; W124-F412 HydrophobicContact CH2-CZ 3.97Å; W124-F412 HydrophobicContact CZ2-CD2 4.22Å; W124-F412 HydrophobicContact CZ2-CG 4.43Å; W124-F412 HydrophobicContact CZ3-CD2 4.13Å; W124-F412 HydrophobicContact CZ3-CE1 4.32Å; W124-F412 AromaticContact CZ3-CE2 3.76Å; W124-F412 HydrophobicContact CZ3-CE2 3.76Å; W124-F412 AromaticContact CZ3-CZ 3.9Å; W124-F412 HydrophobicContact CZ3-CZ 3.9Å; P324-F412 HydrophobicContact CG-CD1 4.43Å; P324-F412 HydrophobicContact CG-CE1 3.67Å; P324-F412 HydrophobicContact CG-CZ 4.13Å; M403-F412 HydrophobicContact CB-CB 4.32Å; M403-F412 HydrophobicContact CG-CB 4.31Å; M403-F412 HydrophobicContact SD-CB 4.31Å; M403-F412 HydrophobicContact SD-CD2 4.27Å; G408-F412 WeakPolarHBondContact O-CB 3.28Å; G408-F412 PolarHBondContact O-N 3.42Å; M409-F412 HydrophobicContact CE-CD1 3.65Å; M409-F412 HydrophobicContact CE-CE1 4.23Å; M409-F412 HydrophobicContact CE-CG 4.38Å; M409-F412 WeakPolarHBondContact O-CB 3.45Å; M409-F412 PolarHBondContact O-N 2.79Å; Y410-F412 VanDerWaalsContact C-N 3.32Å; F412-L414 VanDerWaalsContact C-N 3.29Å; F412-L414 PolarHBondContact O-N 3Å; F412-F415 PolarHBondContact O-N 3.42Å; F412-F415 VanDerWaalsContact O-N 3.13Å; F412-D416 HydrophobicContact CE1-CB 4.15Å; F412-D416 PolarHBondContact O-N 2.83Å |
| 413 | Q | 94.7 | Very high | 92.4 | Very high | 22 Ų | 22 | 11.8 Ų | 11.8 | 10% | 0.103 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.8 | -36 | 179 | -67.9 | -67.1 | -2.5 | 0 | 0 | 112.4 | M409 Y410 V411 Y417 L486 Y488 F499 | M409-Q413 HydrophobicContact CE-CG 3.97Å; M409-Q413 VanDerWaalsContact O-CG 3.28Å; M409-Q413 WeakPolarHBondContact O-CG 3.33Å; M409-Q413 PolarHBondContact O-N 3.42Å; M409-Q413 VanDerWaalsContact O-N 3.08Å; Y410-Q413 PolarHBondContact O-N 3.17Å; V411-Q413 VanDerWaalsContact C-N 3.32Å; V411-Q413 PolarHBondContact O-N 3.14Å; Q413-Y417 WeakPolarHBondContact O-CB 3.28Å; Q413-Y417 PolarHBondContact O-N 2.83Å; Q413-L486 HydrophobicContact CB-CD1 4.45Å; Q413-L486 HydrophobicContact CB-CD2 4.14Å; Q413-Y488 HydrophobicContact CG-CD2 4.08Å; Q413-Y488 HydrophobicContact CG-CG 4.29Å; Q413-F499 HydrophobicContact CB-CZ 3.84Å; Q413-F499 HydrophobicContact CG-CZ 4.46Å |
| 414 | L | 95.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 174.2 | -69.3 | 171.3 | 0 | 0 | 0 | 111.5 | I196 Y410 V411 F412 Y418 L486 F499 A503 F506 | I196-L414 HydrophobicContact CD1-CD1 3.38Å; I196-L414 HydrophobicContact CD1-CG 4.4Å; Y410-L414 PolarHBondContact O-N 2.54Å; Y410-L414 VanDerWaalsContact O-N 3.17Å; V411-L414 WeakPolarHBondContact O-CB 3.46Å; V411-L414 PolarHBondContact O-N 2.88Å; V411-L414 VanDerWaalsContact O-N 3.14Å; F412-L414 VanDerWaalsContact C-N 3.29Å; F412-L414 PolarHBondContact O-N 3Å; L414-Y418 HydrophobicContact CD2-CD2 4.09Å; L414-Y418 HydrophobicContact CD2-CE2 3.88Å; L414-Y418 WeakPolarHBondContact O-CB 3.5Å; L414-Y418 WeakPolarHBondContact O-CD2 3.4Å; L414-Y418 PolarHBondContact O-N 3.09Å; L414-L486 HydrophobicContact CD2-CD2 3.79Å; L414-L486 HydrophobicContact CG-CD2 4.37Å; L414-F499 HydrophobicContact CD2-CD1 4.01Å; L414-F499 HydrophobicContact CD2-CE1 4.17Å; L414-F499 HydrophobicContact CG-CD1 4.25Å; L414-F499 HydrophobicContact CG-CE1 3.98Å; L414-A503 HydrophobicContact CD1-CB 4.2Å; L414-A503 HydrophobicContact CD2-CB 4.43Å; L414-A503 WeakPolarHBondContact CD2-O 3.24Å; L414-F506 HydrophobicContact CD1-CD1 4.17Å |
| 415 | F | 94.6 | Very high | 92 | Very high | 13 Ų | 13 | 11.7 Ų | 11.7 | 6% | 0.057 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.7 | -51.8 | 176.9 | -87 | -108.2 | 0 | 0 | 0 | 111.6 | F113 C116 Y117 V399 M403 V411 F412 Y417 S419 M510 | F113-F415 HydrophobicContact CB-CD1 4.3Å; F113-F415 HydrophobicContact CD1-CD1 4.43Å; F113-F415 AromaticContact CD1-CE1 3.86Å; F113-F415 HydrophobicContact CD1-CE1 3.86Å; C116-F415 HydrophobicContact CB-CD1 4.28Å; C116-F415 HydrophobicContact CB-CE1 4Å; Y117-F415 HydrophobicContact CD1-CB 3.96Å; Y117-F415 HydrophobicContact CG-CB 4.14Å; V399-F415 HydrophobicContact CG1-CE1 3.98Å; V399-F415 HydrophobicContact CG1-CZ 3.74Å; M403-F415 HydrophobicContact CE-CB 4.34Å; M403-F415 HydrophobicContact CE-CD1 3.6Å; M403-F415 HydrophobicContact CE-CD2 3.66Å; M403-F415 HydrophobicContact CE-CE1 3.68Å; M403-F415 HydrophobicContact CE-CE2 3.75Å; M403-F415 HydrophobicContact CE-CG 3.59Å; M403-F415 HydrophobicContact CE-CZ 3.75Å; M403-F415 HydrophobicContact SD-CB 4.42Å; M403-F415 HydrophobicContact SD-CD2 4.35Å; M403-F415 HydrophobicContact SD-CG 4.24Å; V411-F415 HydrophobicContact CG1-CD2 4.16Å; V411-F415 HydrophobicContact CG1-CE2 4.06Å; V411-F415 WeakPolarHBondContact O-CD2 3.27Å; V411-F415 PolarHBondContact O-N 3.4Å; V411-F415 VanDerWaalsContact O-N 3.15Å; F412-F415 PolarHBondContact O-N 3.42Å; F412-F415 VanDerWaalsContact O-N 3.13Å; F415-Y417 VanDerWaalsContact C-N 3.33Å; F415-Y417 PolarHBondContact O-N 3.34Å; F415-S419 WeakPolarHBondContact O-CB 3.46Å; F415-S419 PolarHBondContact O-N 3.13Å; F415-S419 VanDerWaalsContact O-N 3.08Å; F415-S419 PolarHBondContact O-OG 2.75Å; F415-M510 HydrophobicContact CB-CE 4.44Å; F415-M510 HydrophobicContact CD1-CE 3.69Å; F415-M510 HydrophobicContact CD2-CE 3.7Å; F415-M510 HydrophobicContact CD2-SD 4.26Å; F415-M510 HydrophobicContact CE1-CE 3.74Å; F415-M510 HydrophobicContact CE2-CE 3.75Å; F415-M510 HydrophobicContact CE2-SD 4.12Å; F415-M510 HydrophobicContact CG-CE 3.68Å; F415-M510 HydrophobicContact CZ-CE 3.77Å; F415-M510 HydrophobicContact CZ-SD 4.5Å |
| 416 | D | 91.5 | Very high | 91.8 | Very high | 25 Ų | 25 | 12.6 Ų | 12.6 | 13% | 0.134 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | -178.7 | -177.7 | 46.1 | 0 | 0 | 0 | 112 | R47 Y117 F412 | R47-D416 IonicContact NH1-OD1 2.82Å; Y117-D416 HydrophobicContact CD2-CB 4.32Å; Y117-D416 HydrophobicContact CE2-CB 3.93Å; Y117-D416 PolarHBondContact OH-OD1 3.29Å; F412-D416 HydrophobicContact CE1-CB 4.15Å; F412-D416 PolarHBondContact O-N 2.83Å |
| 417 | Y | 91.7 | Very high | 91.7 | Very high | 48 Ų | 48 | 11.2 Ų | 11.2 | 19% | 0.188 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -74.5 | -48.2 | -176 | -165.3 | -104.4 | 0 | 0 | 0 | 113.4 | Q413 F415 S421 R422 Y483 E484 L486 | Q413-Y417 WeakPolarHBondContact O-CB 3.28Å; Q413-Y417 PolarHBondContact O-N 2.83Å; F415-Y417 VanDerWaalsContact C-N 3.33Å; F415-Y417 PolarHBondContact O-N 3.34Å; Y417-S421 PolarHBondContact O-OG 3.34Å; Y417-R422 PolarHBondContact OH-NH2 3.43Å; Y417-Y483 HydrophobicContact CE1-CE2 4.11Å; Y417-E484 PolarHBondContact OH-O 2.85Å; Y417-L486 HydrophobicContact CD1-CB 3.9Å; Y417-L486 HydrophobicContact CD1-CD1 4.26Å; Y417-L486 HydrophobicContact CD1-CG 4.47Å; Y417-L486 HydrophobicContact CD2-CD1 3.85Å; Y417-L486 HydrophobicContact CE1-CB 4.12Å; Y417-L486 HydrophobicContact CG-CB 4.24Å; Y417-L486 HydrophobicContact CG-CD1 3.72Å; Y417-L486 HydrophobicContact CG-CG 4.36Å |
| 418 | Y | 92.7 | Very high | 91.6 | Very high | 11 Ų | 11 | 11.2 Ų | 11.2 | 4% | 0.043 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -95.5 | -23.9 | -168.8 | -71.1 | -80.8 | 0 | 0 | 0 | 115.1 | L414 G420 Y483 L486 G507 W508 A511 | L414-Y418 HydrophobicContact CD2-CD2 4.09Å; L414-Y418 HydrophobicContact CD2-CE2 3.88Å; L414-Y418 WeakPolarHBondContact O-CB 3.5Å; L414-Y418 WeakPolarHBondContact O-CD2 3.4Å; L414-Y418 PolarHBondContact O-N 3.09Å; Y418-G420 PolarHBondContact O-N 2.77Å; Y418-Y483 PolarHBondContact OH-OH 3.32Å; Y418-L486 HydrophobicContact CE2-CB 4.17Å; Y418-L486 HydrophobicContact CE2-CD2 4.05Å; Y418-G507 WeakPolarHBondContact CB-O 3.24Å; Y418-W508 HydrophobicContact CE1-CD2 4.19Å; Y418-W508 HydrophobicContact CE1-CG 4.21Å; Y418-W508 AromaticContact CE1-NE1 3.87Å; Y418-A511 WeakPolarHBondContact O-CB 3.14Å |
| 419 | S | 86.9 | Confident | 91.6 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -68.1 | -36.6 | -168.2 | 61.5 | 0 | 0 | 0 | 0 | 115.1 | F415 | F415-S419 WeakPolarHBondContact O-CB 3.46Å; F415-S419 PolarHBondContact O-N 3.13Å; F415-S419 VanDerWaalsContact O-N 3.08Å; F415-S419 PolarHBondContact O-OG 2.75Å |
| 420 | G | 74.4 | Confident | 91.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -132.5 | -41 | -171 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y418 R422 I423 I424 | Y418-G420 PolarHBondContact O-N 2.77Å; G420-R422 PolarHBondContact O-N 3.47Å; G420-I423 PolarHBondContact O-N 2.84Å; G420-I424 VanDerWaalsContact O-CB 3.25Å; G420-I424 WeakPolarHBondContact O-CB 3.37Å; G420-I424 WeakPolarHBondContact O-CG2 3.37Å; G420-I424 PolarHBondContact O-N 3.27Å |
| 421 | S | 73.4 | Confident | 91.7 | Very high | 8 Ų | 8 | 14.5 Ų | 14.5 | 6% | 0.056 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -46.5 | -155 | 63.2 | 0 | 0 | 0 | 0 | 116 | T266 F270 Y417 I424 | T266-S421 VanDerWaalsContact CG2-O 3.23Å; T266-S421 WeakPolarHBondContact CG2-O 3.37Å; F270-S421 VanDerWaalsContact CE2-CA 3.45Å; F270-S421 VanDerWaalsContact CZ-CA 3.41Å; Y417-S421 PolarHBondContact O-OG 3.34Å; S421-I424 WeakPolarHBondContact O-CG2 3.36Å |
| 422 | R | 85.4 | Confident | 91.7 | Very high | 45 Ų | 45 | 13.7 Ų | 13.7 | 17% | 0.17 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -30.6 | -179.2 | -57.3 | 179.1 | -162.9 | -83.9 | -1.7 | 112.4 | Y417 G420 I424 L425 S479 | Y417-R422 PolarHBondContact OH-NH2 3.43Å; G420-R422 PolarHBondContact O-N 3.47Å; R422-I424 VanDerWaalsContact C-N 3.34Å; R422-I424 PolarHBondContact O-N 3.46Å; R422-L425 WeakPolarHBondContact O-CB 3.37Å; R422-L425 PolarHBondContact O-N 2.93Å; R422-S479 PolarHBondContact NH1-O 3.03Å |
| 423 | I | 88.1 | Confident | 91.8 | Very high | 10 Ų | 10 | 15.1 Ų | 15.1 | 5% | 0.051 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -69.5 | -35.1 | -176.4 | -68.6 | 6.4 | 0 | 0 | 0 | 111 | I110 G420 L425 I426 V427 A511 I515 | I110-I423 HydrophobicContact CD1-CG2 3.66Å; I110-I423 HydrophobicContact CG1-CG2 4.26Å; G420-I423 PolarHBondContact O-N 2.84Å; I423-L425 PolarHBondContact O-N 3.26Å; I423-I426 WeakPolarHBondContact O-CB 3.43Å; I423-I426 PolarHBondContact O-N 3.41Å; I423-I426 VanDerWaalsContact O-N 3.08Å; I423-V427 PolarHBondContact O-N 2.95Å; I423-A511 HydrophobicContact CD1-CB 3.94Å; I423-A511 HydrophobicContact CG1-CB 3.94Å; I423-I515 HydrophobicContact CB-CD1 4Å; I423-I515 HydrophobicContact CB-CG1 4.14Å; I423-I515 HydrophobicContact CD1-CD1 3.32Å; I423-I515 HydrophobicContact CD1-CG1 4.33Å; I423-I515 HydrophobicContact CG1-CD1 3.4Å; I423-I515 HydrophobicContact CG1-CG1 3.86Å; I423-I515 HydrophobicContact CG2-CD1 3.87Å; I423-I515 HydrophobicContact CG2-CG1 3.44Å; I423-I515 VanDerWaalsContact CG2-CG1 3.44Å |
| 424 | I | 92.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.7 | -26 | -179.8 | -149.3 | 165.8 | 0 | 0 | 0 | 112.7 | F269 I274 L276 G420 S421 R422 V427 G428 | F269-I424 HydrophobicContact CB-CD1 4.37Å; F269-I424 HydrophobicContact CB-CG2 3.7Å; F269-I424 HydrophobicContact CD1-CB 4.46Å; F269-I424 HydrophobicContact CD1-CG1 4.23Å; F269-I424 HydrophobicContact CD1-CG2 3.88Å; F269-I424 HydrophobicContact CG-CG2 4.05Å; I274-I424 WeakPolarHBondContact O-CD1 3.48Å; I274-I424 WeakPolarHBondContact O-CG1 3.44Å; L276-I424 HydrophobicContact CD2-CD1 4Å; L276-I424 HydrophobicContact CG-CD1 4.33Å; G420-I424 VanDerWaalsContact O-CB 3.25Å; G420-I424 WeakPolarHBondContact O-CB 3.37Å; G420-I424 WeakPolarHBondContact O-CG2 3.37Å; G420-I424 PolarHBondContact O-N 3.27Å; S421-I424 WeakPolarHBondContact O-CG2 3.36Å; R422-I424 VanDerWaalsContact C-N 3.34Å; R422-I424 PolarHBondContact O-N 3.46Å; I424-V427 WeakPolarHBondContact O-CB 3.49Å; I424-V427 PolarHBondContact O-N 3.29Å; I424-G428 PolarHBondContact O-N 3.35Å |
| 425 | L | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.1 | -38.4 | 175.3 | -59.6 | 174.7 | 0 | 0 | 0 | 111.4 | F269 R422 I423 L429 L475 F476 | F269-L425 HydrophobicContact CD1-CD2 4.23Å; F269-L425 HydrophobicContact CD2-CD2 3.68Å; F269-L425 HydrophobicContact CE1-CD2 4.09Å; F269-L425 HydrophobicContact CE2-CD2 3.55Å; F269-L425 HydrophobicContact CG-CD2 4.02Å; F269-L425 HydrophobicContact CZ-CD2 3.76Å; R422-L425 WeakPolarHBondContact O-CB 3.37Å; R422-L425 PolarHBondContact O-N 2.93Å; I423-L425 PolarHBondContact O-N 3.26Å; L425-L429 VanDerWaalsContact O-CB 3.31Å; L425-L429 WeakPolarHBondContact O-CB 3.09Å; L425-L429 PolarHBondContact O-N 3.44Å; L425-L475 HydrophobicContact CD1-CB 4.22Å; L425-L475 HydrophobicContact CD2-CB 4.22Å; L425-L475 HydrophobicContact CD2-CD1 4.25Å; L425-F476 HydrophobicContact CB-CB 4.14Å; L425-F476 HydrophobicContact CB-CD2 4.43Å; L425-F476 HydrophobicContact CD1-CB 4.47Å |
| 426 | I | 94.8 | Very high | 92.1 | Very high | 32 Ų | 32 | 13.8 Ų | 13.8 | 16% | 0.164 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67.4 | -41.4 | 175 | -56.5 | 179.7 | 0 | 0 | 0 | 110 | I423 L429 L430 F476 I515 | I423-I426 WeakPolarHBondContact O-CB 3.43Å; I423-I426 PolarHBondContact O-N 3.41Å; I423-I426 VanDerWaalsContact O-N 3.08Å; I426-L429 WeakPolarHBondContact O-CB 3.45Å; I426-L429 PolarHBondContact O-N 3.38Å; I426-L430 HydrophobicContact CG2-CD1 4.05Å; I426-L430 HydrophobicContact CG2-CG 4.5Å; I426-L430 WeakPolarHBondContact O-CG 3.43Å; I426-L430 PolarHBondContact O-N 2.92Å; I426-F476 HydrophobicContact CD1-CD2 4.17Å; I426-F476 HydrophobicContact CD1-CE1 4.44Å; I426-F476 HydrophobicContact CD1-CE2 3.5Å; I426-F476 VanDerWaalsContact CD1-CE2 3.5Å; I426-F476 HydrophobicContact CD1-CZ 3.65Å; I426-F476 HydrophobicContact CG1-CD2 3.65Å; I426-F476 HydrophobicContact CG1-CE1 4.45Å; I426-F476 HydrophobicContact CG1-CE2 3.52Å; I426-F476 HydrophobicContact CG1-CG 4.19Å; I426-F476 HydrophobicContact CG1-CZ 3.94Å; I426-I515 HydrophobicContact CD1-CD1 3.61Å; I426-I515 HydrophobicContact CD1-CG1 4.34Å |
| 427 | V | 95.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.6 | -58.7 | 174.2 | 169.9 | 0 | 0 | 0 | 0 | 109.3 | V103 A106 C107 I110 I423 I424 L429 L430 E431 | V103-V427 HydrophobicContact CG1-CG1 4.03Å; A106-V427 HydrophobicContact CB-CG2 4.36Å; C107-V427 WeakPolarHBondContact SG-CG1 3.46Å; I110-V427 HydrophobicContact CD1-CG2 4.04Å; I423-V427 PolarHBondContact O-N 2.95Å; I424-V427 WeakPolarHBondContact O-CB 3.49Å; I424-V427 PolarHBondContact O-N 3.29Å; V427-L429 VanDerWaalsContact C-N 3.29Å; V427-L429 PolarHBondContact O-N 2.93Å; V427-L430 CarbonylContact O-C 3.59Å; V427-L430 WeakPolarHBondContact O-CA 3.39Å; V427-L430 PolarHBondContact O-N 3.38Å; V427-E431 HydrophobicContact CG1-CG 3.92Å; V427-E431 WeakPolarHBondContact O-CG 3.48Å; V427-E431 PolarHBondContact O-N 3.05Å |
| 428 | G | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.6 | -33.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I424 S432 | I424-G428 PolarHBondContact O-N 3.35Å; G428-S432 WeakPolarHBondContact O-CB 3.31Å; G428-S432 PolarHBondContact O-N 3.48Å; G428-S432 PolarHBondContact O-OG 3.05Å |
| 429 | L | 97 | Very high | 92.7 | Very high | 31 Ų | 31 | 20.3 Ų | 20.3 | 16% | 0.162 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.6 | -48.6 | 170.3 | 171.4 | 62.1 | 0 | 0 | 0 | 111.2 | L425 I426 V427 S432 S433 P469 L473 | L425-L429 VanDerWaalsContact O-CB 3.31Å; L425-L429 WeakPolarHBondContact O-CB 3.09Å; L425-L429 PolarHBondContact O-N 3.44Å; I426-L429 WeakPolarHBondContact O-CB 3.45Å; I426-L429 PolarHBondContact O-N 3.38Å; V427-L429 VanDerWaalsContact C-N 3.29Å; V427-L429 PolarHBondContact O-N 2.93Å; L429-S432 PolarHBondContact O-OG 3.31Å; L429-S432 VanDerWaalsContact O-OG 3.12Å; L429-S433 WeakPolarHBondContact O-CB 3.24Å; L429-S433 PolarHBondContact O-N 2.99Å; L429-S433 PolarHBondContact O-OG 3.04Å; L429-P469 HydrophobicContact CD1-CB 4.09Å; L429-P469 VanDerWaalsContact CD1-O 3.3Å; L429-P469 WeakPolarHBondContact CD1-O 3.41Å; L429-L473 HydrophobicContact CD1-CB 4.08Å; L429-L473 HydrophobicContact CD2-CB 4.29Å; L429-L473 HydrophobicContact CD2-CD1 4.03Å |
| 430 | L | 97.6 | Very high | 93.1 | Very high | 35 Ų | 35 | 21.2 Ų | 21.2 | 18% | 0.183 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.6 | -39.2 | 179.9 | -69.3 | 171.9 | 0 | 0 | 0 | 112.1 | F100 V103 I426 V427 V434 I518 | F100-L430 HydrophobicContact CD1-CD2 4.49Å; F100-L430 HydrophobicContact CE1-CD2 4.13Å; V103-L430 HydrophobicContact CG2-CB 4.06Å; V103-L430 HydrophobicContact CG2-CD1 4.1Å; I426-L430 HydrophobicContact CG2-CD1 4.05Å; I426-L430 HydrophobicContact CG2-CG 4.5Å; I426-L430 WeakPolarHBondContact O-CG 3.43Å; I426-L430 PolarHBondContact O-N 2.92Å; V427-L430 CarbonylContact O-C 3.59Å; V427-L430 WeakPolarHBondContact O-CA 3.39Å; V427-L430 PolarHBondContact O-N 3.38Å; L430-V434 WeakPolarHBondContact O-CB 3.47Å; L430-V434 WeakPolarHBondContact O-CG2 3.45Å; L430-V434 PolarHBondContact O-N 2.86Å; L430-I518 HydrophobicContact CD1-CD1 3.56Å; L430-I518 HydrophobicContact CD1-CG2 3.99Å |
| 431 | E | 96.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.019 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.9 | -56 | 175.8 | -50.3 | -148.4 | 133.7 | 0 | 0 | 111.1 | L75 L78 E79 W94 V103 V427 I435 | L75-E431 HydrophobicContact CD2-CB 4.45Å; L78-E431 HydrophobicContact CD2-CB 4.36Å; E79-E431 WeakPolarHBondContact CG-OE2 3.45Å; W94-E431 HydrophobicContact CH2-CB 4.42Å; W94-E431 HydrophobicContact CH2-CG 4.39Å; W94-E431 HydrophobicContact CZ2-CB 4.22Å; W94-E431 HydrophobicContact CZ2-CG 3.83Å; V103-E431 HydrophobicContact CG1-CG 4.17Å; V427-E431 HydrophobicContact CG1-CG 3.92Å; V427-E431 WeakPolarHBondContact O-CG 3.48Å; V427-E431 PolarHBondContact O-N 3.05Å; E431-I435 VanDerWaalsContact O-CB 3.3Å; E431-I435 WeakPolarHBondContact O-CB 3.32Å; E431-I435 WeakPolarHBondContact O-CD1 3.15Å; E431-I435 WeakPolarHBondContact O-CG1 3.21Å; E431-I435 PolarHBondContact O-N 3.47Å; E431-I435 VanDerWaalsContact O-N 3.09Å |
| 432 | S | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -51.2 | 179.2 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | G428 L429 G436 W464 | G428-S432 WeakPolarHBondContact O-CB 3.31Å; G428-S432 PolarHBondContact O-N 3.48Å; G428-S432 PolarHBondContact O-OG 3.05Å; L429-S432 PolarHBondContact O-OG 3.31Å; L429-S432 VanDerWaalsContact O-OG 3.12Å; S432-G436 WeakPolarHBondContact O-CA 3.31Å; S432-G436 PolarHBondContact O-N 3.45Å; S432-W464 CarbonylContact C-O 3.59Å |
| 433 | S | 97.5 | Very high | 95.6 | Very high | 31 Ų | 31 | 32.8 Ų | 32.8 | 22% | 0.217 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64 | -47.2 | -175.7 | -55.7 | 0 | 0 | 0 | 0 | 112.9 | L429 Y437 | L429-S433 WeakPolarHBondContact O-CB 3.24Å; L429-S433 PolarHBondContact O-N 2.99Å; L429-S433 PolarHBondContact O-OG 3.04Å; S433-Y437 WeakPolarHBondContact O-CB 3.19Å; S433-Y437 WeakPolarHBondContact O-CD2 3.38Å; S433-Y437 PolarHBondContact O-N 3.02Å |
| 434 | V | 97.7 | Very high | 95.7 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.024 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -69.1 | -42.9 | -176.8 | 174 | 0 | 0 | 0 | 0 | 110.4 | W94 C97 F100 L430 I438 Y439 | W94-V434 HydrophobicContact CH2-CB 4.4Å; W94-V434 HydrophobicContact CZ3-CB 4.08Å; W94-V434 HydrophobicContact CZ3-CG1 3.83Å; C97-V434 HydrophobicContact CB-CG1 3.7Å; F100-V434 HydrophobicContact CB-CG1 4.2Å; F100-V434 HydrophobicContact CB-CG2 4.28Å; F100-V434 HydrophobicContact CD1-CG2 3.7Å; F100-V434 HydrophobicContact CD2-CG1 3.89Å; F100-V434 HydrophobicContact CD2-CG2 3.75Å; F100-V434 HydrophobicContact CE1-CG2 3.87Å; F100-V434 HydrophobicContact CE2-CG2 3.92Å; F100-V434 HydrophobicContact CG-CG1 4.12Å; F100-V434 HydrophobicContact CG-CG2 3.63Å; F100-V434 HydrophobicContact CZ-CG2 3.98Å; L430-V434 WeakPolarHBondContact O-CB 3.47Å; L430-V434 WeakPolarHBondContact O-CG2 3.45Å; L430-V434 PolarHBondContact O-N 2.86Å; V434-I438 HydrophobicContact CG1-CB 4.26Å; V434-I438 HydrophobicContact CG1-CD1 4.19Å; V434-I438 HydrophobicContact CG2-CD1 4.46Å; V434-I438 WeakPolarHBondContact O-CA 3.43Å; V434-I438 VanDerWaalsContact O-CB 3.27Å; V434-I438 WeakPolarHBondContact O-CB 3.32Å; V434-I438 PolarHBondContact O-N 2.99Å; V434-Y439 PolarHBondContact O-N 2.71Å |
| 435 | I | 97.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -73.5 | -37.7 | -179.5 | -58.9 | 165 | 0 | 0 | 0 | 110.7 | L78 V82 I96 E431 Y439 G440 I444 | L78-I435 HydrophobicContact CD1-CB 4.04Å; L78-I435 HydrophobicContact CD1-CD1 3.95Å; L78-I435 HydrophobicContact CD1-CG2 3.6Å; L78-I435 HydrophobicContact CD2-CB 4.31Å; L78-I435 HydrophobicContact CD2-CD1 3.78Å; L78-I435 HydrophobicContact CG-CD1 3.72Å; V82-I435 HydrophobicContact CG2-CD1 3.65Å; I96-I435 HydrophobicContact CD1-CD1 3.94Å; I96-I435 HydrophobicContact CD1-CG1 3.73Å; E431-I435 VanDerWaalsContact O-CB 3.3Å; E431-I435 WeakPolarHBondContact O-CB 3.32Å; E431-I435 WeakPolarHBondContact O-CD1 3.15Å; E431-I435 WeakPolarHBondContact O-CG1 3.21Å; E431-I435 PolarHBondContact O-N 3.47Å; E431-I435 VanDerWaalsContact O-N 3.09Å; I435-Y439 HydrophobicContact CG2-CD1 4Å; I435-Y439 HydrophobicContact CG2-CG 4.44Å; I435-G440 CarbonylContact O-C 3.06Å; I435-G440 PolarHBondContact O-N 3.24Å; I435-I444 HydrophobicContact CG2-CB 4.31Å; I435-I444 HydrophobicContact CG2-CD1 4.46Å; I435-I444 HydrophobicContact CG2-CG1 4.27Å; I435-I444 HydrophobicContact CG2-CG2 4.46Å |
| 436 | G | 97 | Very high | 95.6 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -62.7 | -50.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | S432 G440 Y441 C465 | S432-G436 WeakPolarHBondContact O-CA 3.31Å; S432-G436 PolarHBondContact O-N 3.45Å; G436-G440 CarbonylContact O-C 3.6Å; G436-G440 WeakPolarHBondContact O-CA 3.47Å; G436-Y441 PolarHBondContact O-N 3.2Å; G436-C465 VanDerWaalsContact C-SG 3.59Å; G436-C465 PolarHBondContact O-SG 3.41Å |
| 437 | Y | 96.5 | Very high | 95.3 | Very high | 144 Ų | 144 | 39.6 Ų | 39.6 | 57% | 0.565 | 18% | 0.182 | S | C | * | . | I | π-helix | trans | -96.6 | -42.5 | -172.6 | -72.7 | -72.3 | 0 | 0 | 0 | 114.8 | S433 C465 | S433-Y437 WeakPolarHBondContact O-CB 3.19Å; S433-Y437 WeakPolarHBondContact O-CD2 3.38Å; S433-Y437 PolarHBondContact O-N 3.02Å; Y437-C465 HydrophobicContact CD2-CB 4.48Å; Y437-C465 HydrophobicContact CE1-CB 3.97Å; Y437-C465 HydrophobicContact CE2-CB 3.86Å; Y437-C465 WeakPolarHBondContact CE2-O 3.41Å; Y437-C465 PolarHBondContact OH-O 2.77Å |
| 438 | I | 96.1 | Very high | 94.7 | Very high | 65 Ų | 65 | 39.5 Ų | 39.5 | 33% | 0.333 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -89.7 | -53.7 | -172.6 | -53 | -176.7 | 0 | 0 | 0 | 110.9 | F100 V434 G440 C541 | F100-I438 HydrophobicContact CD2-CD1 4.21Å; F100-I438 HydrophobicContact CE2-CD1 3.61Å; F100-I438 HydrophobicContact CZ-CD1 4.44Å; V434-I438 HydrophobicContact CG1-CB 4.26Å; V434-I438 HydrophobicContact CG1-CD1 4.19Å; V434-I438 HydrophobicContact CG2-CD1 4.46Å; V434-I438 WeakPolarHBondContact O-CA 3.43Å; V434-I438 VanDerWaalsContact O-CB 3.27Å; V434-I438 WeakPolarHBondContact O-CB 3.32Å; V434-I438 PolarHBondContact O-N 2.99Å; I438-G440 VanDerWaalsContact C-N 3.25Å; I438-G440 PolarHBondContact O-N 3.42Å; I438-C541 HydrophobicContact CG2-CB 3.71Å |
| 439 | Y | 96.1 | Very high | 94.2 | Very high | 12 Ų | 12 | 45.9 Ų | 45.9 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -66.3 | -35.4 | 172.2 | -175 | -106.9 | 0 | 0 | 0 | 111 | I96 V434 I435 R443 I444 D447 P543 I545 | I96-Y439 HydrophobicContact CB-CD2 3.79Å; I96-Y439 HydrophobicContact CB-CE2 3.99Å; I96-Y439 HydrophobicContact CB-CG 4.48Å; I96-Y439 HydrophobicContact CG2-CD2 4.35Å; I96-Y439 HydrophobicContact CG2-CE2 4.05Å; V434-Y439 PolarHBondContact O-N 2.71Å; I435-Y439 HydrophobicContact CG2-CD1 4Å; I435-Y439 HydrophobicContact CG2-CG 4.44Å; Y439-R443 HydrophobicContact CD1-CB 4.28Å; Y439-R443 HydrophobicContact CD1-CG 4.36Å; Y439-R443 HydrophobicContact CE1-CB 4Å; Y439-R443 HydrophobicContact CE1-CG 3.69Å; Y439-R443 HydrophobicContact CE2-CG 4.27Å; Y439-R443 WeakPolarHBondContact O-CB 3.24Å; Y439-I444 HydrophobicContact CD1-CB 3.99Å; Y439-I444 HydrophobicContact CD1-CD1 4.47Å; Y439-I444 HydrophobicContact CE1-CB 3.9Å; Y439-I444 HydrophobicContact CE1-CD1 4.02Å; Y439-D447 PolarHBondContact OH-OD2 3.11Å; Y439-P543 HydrophobicContact CD2-CB 4.21Å; Y439-P543 HydrophobicContact CD2-CG 3.54Å; Y439-P543 HydrophobicContact CE2-CB 3.95Å; Y439-P543 HydrophobicContact CE2-CG 3.64Å; Y439-I545 HydrophobicContact CE2-CD1 4.1Å |
| 440 | G | 95.7 | Very high | 93.5 | Very high | 18 Ų | 18 | 51.2 Ų | 51.2 | 19% | 0.186 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | 96.5 | 121.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I435 G436 I438 K442 R443 I444 | I435-G440 CarbonylContact O-C 3.06Å; I435-G440 PolarHBondContact O-N 3.24Å; G436-G440 CarbonylContact O-C 3.6Å; G436-G440 WeakPolarHBondContact O-CA 3.47Å; I438-G440 VanDerWaalsContact C-N 3.25Å; I438-G440 PolarHBondContact O-N 3.42Å; G440-K442 PolarHBondContact O-N 3.47Å; G440-K442 VanDerWaalsContact O-N 3.09Å; G440-R443 WeakPolarHBondContact O-CB 3.48Å; G440-R443 PolarHBondContact O-N 2.83Å; G440-I444 PolarHBondContact O-N 3.46Å |
| 441 | Y | 95.6 | Very high | 92.6 | Very high | 61 Ų | 61 | 50.4 Ų | 50.4 | 24% | 0.239 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54.1 | -33.2 | 179.1 | 78.2 | -89.5 | 0 | 0 | 0 | 113.2 | G436 I444 S445 A460 F461 | G436-Y441 PolarHBondContact O-N 3.2Å; Y441-I444 VanDerWaalsContact O-CG2 3.25Å; Y441-I444 WeakPolarHBondContact O-CG2 3.09Å; Y441-S445 WeakPolarHBondContact O-CB 3.34Å; Y441-S445 PolarHBondContact O-N 3.31Å; Y441-A460 HydrophobicContact CD2-CB 4.34Å; Y441-F461 HydrophobicContact CD1-CB 4.17Å; Y441-F461 AromaticContact CD1-CD2 3.89Å; Y441-F461 HydrophobicContact CD1-CD2 3.89Å; Y441-F461 HydrophobicContact CD2-CB 3.64Å; Y441-F461 HydrophobicContact CE1-CB 4.24Å; Y441-F461 AromaticContact CE1-CD2 3.79Å; Y441-F461 HydrophobicContact CE1-CD2 3.79Å; Y441-F461 HydrophobicContact CE1-CG 4.39Å; Y441-F461 HydrophobicContact CE2-CB 3.71Å; Y441-F461 HydrophobicContact CG-CB 3.87Å; Y441-F461 HydrophobicContact CG-CD2 4.41Å |
| 442 | K | 95.3 | Very high | 91.6 | Very high | 148 Ų | 148 | 51.4 Ų | 51.4 | 64% | 0.643 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -66.1 | -39.4 | 176.6 | -65.5 | -175.8 | -177.3 | 175.4 | 0 | 111.8 | G440 K446 | G440-K442 PolarHBondContact O-N 3.47Å; G440-K442 VanDerWaalsContact O-N 3.09Å; K442-K446 WeakPolarHBondContact O-CB 3.46Å; K442-K446 PolarHBondContact O-N 3.29Å |
| 443 | R | 94.1 | Very high | 90.5 | Very high | 88 Ų | 88 | 54.4 Ų | 54.4 | 33% | 0.332 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.9 | -51.8 | -178.4 | -172.5 | 177.1 | -67.8 | -158.8 | -0.2 | 110.4 | Y439 G440 S445 K446 D447 P543 | Y439-R443 HydrophobicContact CD1-CB 4.28Å; Y439-R443 HydrophobicContact CD1-CG 4.36Å; Y439-R443 HydrophobicContact CE1-CB 4Å; Y439-R443 HydrophobicContact CE1-CG 3.69Å; Y439-R443 HydrophobicContact CE2-CG 4.27Å; Y439-R443 WeakPolarHBondContact O-CB 3.24Å; G440-R443 WeakPolarHBondContact O-CB 3.48Å; G440-R443 PolarHBondContact O-N 2.83Å; R443-S445 VanDerWaalsContact C-N 3.27Å; R443-S445 PolarHBondContact O-N 3.46Å; R443-K446 WeakPolarHBondContact O-CA 3.47Å; R443-K446 WeakPolarHBondContact O-CB 3.42Å; R443-K446 PolarHBondContact O-N 3.44Å; R443-D447 PolarHBondContact O-N 2.85Å; R443-P543 VanDerWaalsContact NH1-CG 3.33Å |
| 444 | I | 91.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 176.4 | -167 | 69.4 | 0 | 0 | 0 | 111.7 | L78 T81 V82 I435 Y439 G440 Y441 K446 D447 M448 W464 | L78-I444 HydrophobicContact CD1-CG1 4.28Å; T81-I444 HydrophobicContact CG2-CD1 3.49Å; T81-I444 VanDerWaalsContact CG2-CD1 3.49Å; T81-I444 HydrophobicContact CG2-CG1 3.93Å; V82-I444 HydrophobicContact CG2-CD1 4.27Å; I435-I444 HydrophobicContact CG2-CB 4.31Å; I435-I444 HydrophobicContact CG2-CD1 4.46Å; I435-I444 HydrophobicContact CG2-CG1 4.27Å; I435-I444 HydrophobicContact CG2-CG2 4.46Å; Y439-I444 HydrophobicContact CD1-CB 3.99Å; Y439-I444 HydrophobicContact CD1-CD1 4.47Å; Y439-I444 HydrophobicContact CE1-CB 3.9Å; Y439-I444 HydrophobicContact CE1-CD1 4.02Å; G440-I444 PolarHBondContact O-N 3.46Å; Y441-I444 VanDerWaalsContact O-CG2 3.25Å; Y441-I444 WeakPolarHBondContact O-CG2 3.09Å; I444-K446 VanDerWaalsContact C-N 3.35Å; I444-K446 PolarHBondContact O-N 3.33Å; I444-D447 WeakPolarHBondContact O-CB 3.47Å; I444-D447 PolarHBondContact O-N 2.91Å; I444-M448 VanDerWaalsContact O-CG 3.3Å; I444-M448 WeakPolarHBondContact O-CG 3.45Å; I444-M448 PolarHBondContact O-N 3.43Å; I444-W464 HydrophobicContact CG1-CZ3 4.2Å; I444-W464 HydrophobicContact CG2-CE3 3.81Å; I444-W464 HydrophobicContact CG2-CZ3 3.55Å |
| 445 | S | 91.5 | Very high | 88.8 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.7 | -32.9 | 175.5 | -167.5 | 0 | 0 | 0 | 0 | 112.9 | Y441 R443 K449 S455 K457 | Y441-S445 WeakPolarHBondContact O-CB 3.34Å; Y441-S445 PolarHBondContact O-N 3.31Å; R443-S445 VanDerWaalsContact C-N 3.27Å; R443-S445 PolarHBondContact O-N 3.46Å; S445-K449 PolarHBondContact O-N 2.99Å; S445-K449 VanDerWaalsContact O-N 3.09Å; S445-S455 WeakPolarHBondContact O-CB 3.45Å; S445-S455 PolarHBondContact OG-OG 3.08Å; S445-K457 PolarHBondContact OG-N 3.37Å |
| 446 | K | 91.4 | Very high | 88.1 | Confident | 163 Ų | 163 | 61.2 Ų | 61.2 | 71% | 0.709 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -69.1 | -40.4 | 170.5 | -176.1 | -177.7 | 178.8 | -177.7 | 0 | 111.3 | K442 R443 I444 K449 R450 | K442-K446 WeakPolarHBondContact O-CB 3.46Å; K442-K446 PolarHBondContact O-N 3.29Å; R443-K446 WeakPolarHBondContact O-CA 3.47Å; R443-K446 WeakPolarHBondContact O-CB 3.42Å; R443-K446 PolarHBondContact O-N 3.44Å; I444-K446 VanDerWaalsContact C-N 3.35Å; I444-K446 PolarHBondContact O-N 3.33Å; K446-K449 WeakPolarHBondContact O-CB 3.48Å; K446-K449 PolarHBondContact O-N 3.35Å; K446-K449 VanDerWaalsContact O-N 3.17Å; K446-R450 PolarHBondContact O-N 3.09Å |
| 447 | D | 88.3 | Confident | 87.6 | Confident | 15 Ų | 15 | 69 Ų | 69 | 8% | 0.08 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 174.2 | -75.9 | -43 | 0 | 0 | 0 | 111.7 | V85 Y439 R443 I444 K449 R450 M451 | V85-D447 HydrophobicContact CG2-CB 3.54Å; Y439-D447 PolarHBondContact OH-OD2 3.11Å; R443-D447 PolarHBondContact O-N 2.85Å; I444-D447 WeakPolarHBondContact O-CB 3.47Å; I444-D447 PolarHBondContact O-N 2.91Å; D447-K449 VanDerWaalsContact C-N 3.31Å; D447-K449 PolarHBondContact O-N 3.42Å; D447-R450 WeakPolarHBondContact O-CB 3.41Å; D447-R450 PolarHBondContact O-N 3.16Å; D447-R450 VanDerWaalsContact O-N 3.17Å; D447-R450 IonicContact OD1-CZ 2.91Å; D447-R450 IonicContact OD1-NE 3.96Å; D447-R450 IonicContact OD1-NH2 3.31Å; D447-R450 PolarHBondContact OD1-NH2 3.27Å; D447-M451 WeakPolarHBondContact O-CG 3.37Å; D447-M451 PolarHBondContact O-N 3.21Å |
| 448 | M | 82.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 171.8 | -69.6 | 177.9 | 81.5 | 0 | 0 | 111.8 | L77 T81 I444 R450 M451 Y452 Y454 L456 W464 | L77-M448 HydrophobicContact CD1-CE 3.94Å; L77-M448 HydrophobicContact CD2-CE 3.71Å; L77-M448 HydrophobicContact CG-CE 3.89Å; T81-M448 HydrophobicContact CG2-CG 3.59Å; I444-M448 VanDerWaalsContact O-CG 3.3Å; I444-M448 WeakPolarHBondContact O-CG 3.45Å; I444-M448 PolarHBondContact O-N 3.43Å; M448-R450 VanDerWaalsContact C-N 3.31Å; M448-R450 PolarHBondContact O-N 3.28Å; M448-M451 CarbonylContact O-C 3.54Å; M448-M451 PolarHBondContact O-N 2.99Å; M448-Y452 HydrophobicContact CB-CD2 3.98Å; M448-Y452 HydrophobicContact CB-CE2 4.37Å; M448-Y452 HydrophobicContact CE-CD2 4.07Å; M448-Y452 HydrophobicContact CE-CE2 4.14Å; M448-Y452 HydrophobicContact CG-CD2 4.17Å; M448-Y452 HydrophobicContact CG-CE2 4.08Å; M448-Y452 WeakPolarHBondContact O-CA 3.17Å; M448-Y452 WeakPolarHBondContact O-CB 3.36Å; M448-Y452 PolarHBondContact O-N 2.91Å; M448-Y454 CarbonylContact C-O 3.36Å; M448-Y454 HydrophobicContact CE-CE2 4.39Å; M448-L456 HydrophobicContact CE-CD1 3.75Å; M448-L456 HydrophobicContact CE-CD2 4.47Å; M448-L456 HydrophobicContact CE-CG 3.69Å; M448-L456 HydrophobicContact SD-CD1 3.9Å; M448-L456 HydrophobicContact SD-CG 3.97Å; M448-W464 HydrophobicContact SD-CH2 3.7Å; M448-W464 HydrophobicContact SD-CZ3 4.22Å |
| 449 | K | 85 | Confident | 87 | Confident | 134 Ų | 134 | 72.2 Ų | 72.2 | 58% | 0.583 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.9 | -42.3 | 175.9 | -165.6 | 177.7 | 176.8 | -177 | 0 | 111.8 | S445 K446 D447 M451 G453 Y454 | S445-K449 PolarHBondContact O-N 2.99Å; S445-K449 VanDerWaalsContact O-N 3.09Å; K446-K449 WeakPolarHBondContact O-CB 3.48Å; K446-K449 PolarHBondContact O-N 3.35Å; K446-K449 VanDerWaalsContact O-N 3.17Å; D447-K449 VanDerWaalsContact C-N 3.31Å; D447-K449 PolarHBondContact O-N 3.42Å; K449-M451 VanDerWaalsContact C-N 3.35Å; K449-G453 WeakPolarHBondContact O-CA 3.46Å; K449-G453 PolarHBondContact O-N 3.24Å; K449-Y454 VanDerWaalsContact CA-O 3.23Å; K449-Y454 WeakPolarHBondContact CA-O 3.5Å; K449-Y454 PolarHBondContact N-O 3.12Å; K449-Y454 VanDerWaalsContact N-O 3.16Å |
| 450 | R | 81.8 | Confident | 86.8 | Confident | 143 Ų | 143 | 71.6 Ų | 71.6 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 177.7 | 176 | 174.2 | 61 | 148 | -3.1 | 111.8 | K446 D447 M448 | K446-R450 PolarHBondContact O-N 3.09Å; D447-R450 WeakPolarHBondContact O-CB 3.41Å; D447-R450 PolarHBondContact O-N 3.16Å; D447-R450 VanDerWaalsContact O-N 3.17Å; D447-R450 IonicContact OD1-CZ 2.91Å; D447-R450 IonicContact OD1-NE 3.96Å; D447-R450 IonicContact OD1-NH2 3.31Å; D447-R450 PolarHBondContact OD1-NH2 3.27Å; M448-R450 VanDerWaalsContact C-N 3.31Å; M448-R450 PolarHBondContact O-N 3.28Å |
| 451 | M | 80.1 | Confident | 86.8 | Confident | 18 Ų | 18 | 73.4 Ų | 73.4 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -81.2 | -65.9 | 179.9 | -65.2 | -172.4 | -54.7 | 0 | 0 | 110.8 | T81 Q84 V85 I288 D447 M448 K449 | T81-M451 HydrophobicContact CG2-CE 3.41Å; T81-M451 VanDerWaalsContact CG2-CE 3.41Å; Q84-M451 HydrophobicContact CB-CE 4.21Å; Q84-M451 HydrophobicContact CB-SD 3.61Å; Q84-M451 HydrophobicContact CG-CE 4.5Å; Q84-M451 HydrophobicContact CG-SD 3.45Å; Q84-M451 WeakPolarHBondContact CG-SD 3.33Å; V85-M451 HydrophobicContact CG2-CE 3.48Å; V85-M451 VanDerWaalsContact CG2-CE 3.48Å; V85-M451 HydrophobicContact CG2-SD 3.68Å; I288-M451 WeakPolarHBondContact CD1-O 3.08Å; I288-M451 HydrophobicContact CG1-CB 4.4Å; I288-M451 WeakPolarHBondContact CG1-O 2.87Å; I288-M451 WeakPolarHBondContact CG2-O 3.13Å; D447-M451 WeakPolarHBondContact O-CG 3.37Å; D447-M451 PolarHBondContact O-N 3.21Å; M448-M451 CarbonylContact O-C 3.54Å; M448-M451 PolarHBondContact O-N 2.99Å; K449-M451 VanDerWaalsContact C-N 3.35Å |
| 452 | Y | 74.2 | Confident | 86.8 | Confident | 25 Ų | 25 | 72.8 Ų | 72.8 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -85.2 | -7.2 | -170.8 | -48.7 | -49.3 | 0 | 0 | 0 | 115.3 | L77 Q84 I288 M448 Y454 | L77-Y452 HydrophobicContact CD1-CE2 4.38Å; Q84-Y452 PolarHBondContact OE1-OH 3.07Å; I288-Y452 HydrophobicContact CG2-CD1 4.03Å; M448-Y452 HydrophobicContact CB-CD2 3.98Å; M448-Y452 HydrophobicContact CB-CE2 4.37Å; M448-Y452 HydrophobicContact CE-CD2 4.07Å; M448-Y452 HydrophobicContact CE-CE2 4.14Å; M448-Y452 HydrophobicContact CG-CD2 4.17Å; M448-Y452 HydrophobicContact CG-CE2 4.08Å; M448-Y452 WeakPolarHBondContact O-CA 3.17Å; M448-Y452 WeakPolarHBondContact O-CB 3.36Å; M448-Y452 PolarHBondContact O-N 2.91Å; Y452-Y454 VanDerWaalsContact CB-CE1 3.4Å; Y452-Y454 HydrophobicContact CG-CE1 4.26Å; Y452-Y454 WeakPolarHBondContact O-CD1 3.33Å; Y452-Y454 PolarHBondContact O-N 2.99Å |
| 453 | G | 75.6 | Confident | 86.7 | Confident | 62 Ų | 62 | 68.2 Ų | 68.2 | 64% | 0.639 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 80.1 | -9.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | K449 | K449-G453 WeakPolarHBondContact O-CA 3.46Å; K449-G453 PolarHBondContact O-N 3.24Å |
| 454 | Y | 75.2 | Confident | 86.8 | Confident | 111 Ų | 111 | 64 Ų | 64 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | trans | -128.6 | 156.2 | 177.1 | 68.4 | -94.1 | 0 | 0 | 0 | 111.7 | M448 K449 Y452 | M448-Y454 CarbonylContact C-O 3.36Å; M448-Y454 HydrophobicContact CE-CE2 4.39Å; K449-Y454 VanDerWaalsContact CA-O 3.23Å; K449-Y454 WeakPolarHBondContact CA-O 3.5Å; K449-Y454 PolarHBondContact N-O 3.12Å; K449-Y454 VanDerWaalsContact N-O 3.16Å; Y452-Y454 VanDerWaalsContact CB-CE1 3.4Å; Y452-Y454 HydrophobicContact CG-CE1 4.26Å; Y452-Y454 WeakPolarHBondContact O-CD1 3.33Å; Y452-Y454 PolarHBondContact O-N 2.99Å | ||
| 455 | S | 83.6 | Confident | 87.1 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | trans | -121.9 | 142.3 | 178.3 | 154 | 0 | 0 | 0 | 0 | 109.1 | S445 K457 | S445-S455 WeakPolarHBondContact O-CB 3.45Å; S445-S455 PolarHBondContact OG-OG 3.08Å; S455-K457 PolarHBondContact O-N 3.22Å; S455-K457 PolarHBondContact OG-N 3.26Å | ||
| 456 | L | 81.9 | Confident | 87.3 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 18% | 0.183 | 31% | 0.309 | C | S | . | . | trans | -71.7 | -6.8 | 172.7 | -68.4 | -178.3 | 0 | 0 | 0 | 113.2 | L77 M448 W458 F459 A460 W464 | L77-L456 HydrophobicContact CD2-CD1 3.8Å; M448-L456 HydrophobicContact CE-CD1 3.75Å; M448-L456 HydrophobicContact CE-CD2 4.47Å; M448-L456 HydrophobicContact CE-CG 3.69Å; M448-L456 HydrophobicContact SD-CD1 3.9Å; M448-L456 HydrophobicContact SD-CG 3.97Å; L456-W458 PolarHBondContact O-N 3.32Å; L456-W458 VanDerWaalsContact O-N 3.13Å; L456-F459 HydrophobicContact CB-CB 4.2Å; L456-F459 WeakPolarHBondContact O-CB 3.43Å; L456-F459 PolarHBondContact O-N 2.83Å; L456-A460 HydrophobicContact CB-CB 4.08Å; L456-W464 HydrophobicContact CD1-CH2 3.9Å; L456-W464 HydrophobicContact CD1-CZ2 4.34Å; L456-W464 HydrophobicContact CD1-CZ3 4.43Å | ||
| 457 | K | 87.4 | Confident | 87.6 | Confident | 166 Ų | 166 | 60.5 Ų | 60.5 | 72% | 0.722 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | -119.2 | -177.7 | -59.3 | -180 | -178.4 | 178.1 | 0 | 110.7 | S445 S455 A460 | S445-K457 PolarHBondContact OG-N 3.37Å; S455-K457 PolarHBondContact O-N 3.22Å; S455-K457 PolarHBondContact OG-N 3.26Å; K457-A460 PolarHBondContact O-N 2.97Å |
| 458 | W | 91.5 | Very high | 87.9 | Confident | 159 Ų | 159 | 59.8 Ų | 59.8 | 60% | 0.602 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -20.8 | -179.1 | -177.3 | 68.1 | 0 | 0 | 0 | 114 | L456 A460 F461 L462 | L456-W458 PolarHBondContact O-N 3.32Å; L456-W458 VanDerWaalsContact O-N 3.13Å; W458-A460 PolarHBondContact O-N 3.36Å; W458-F461 AromaticContact CD1-CD1 3.91Å; W458-F461 AromaticContact NE1-CD1 3.42Å; W458-F461 WeakPolarHBondContact O-CB 3.27Å; W458-F461 PolarHBondContact O-N 3.03Å; W458-L462 PolarHBondContact O-N 2.86Å; W458-L462 VanDerWaalsContact O-N 3.08Å |
| 459 | F | 88.6 | Confident | 88.6 | Confident | 116 Ų | 116 | 60.3 Ų | 60.3 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -30.1 | 173.7 | -71.1 | -78.7 | 0 | 0 | 0 | 112.5 | L456 F461 L462 F463 | L456-F459 HydrophobicContact CB-CB 4.2Å; L456-F459 WeakPolarHBondContact O-CB 3.43Å; L456-F459 PolarHBondContact O-N 2.83Å; F459-F461 VanDerWaalsContact C-N 3.29Å; F459-F461 PolarHBondContact O-N 3.43Å; F459-L462 HydrophobicContact CD1-CD2 4.45Å; F459-L462 PolarHBondContact O-N 3.42Å; F459-F463 HydrophobicContact CB-CD2 4.27Å; F459-F463 HydrophobicContact CB-CE2 4.15Å; F459-F463 HydrophobicContact CD1-CE2 4.49Å; F459-F463 WeakPolarHBondContact O-CB 3.42Å; F459-F463 VanDerWaalsContact O-CD2 3.28Å; F459-F463 WeakPolarHBondContact O-CD2 3.42Å; F459-F463 WeakPolarHBondContact O-CG 3.24Å; F459-F463 PolarHBondContact O-N 3.2Å |
| 460 | A | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62 | -37.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y441 L456 K457 W458 W464 | Y441-A460 HydrophobicContact CD2-CB 4.34Å; L456-A460 HydrophobicContact CB-CB 4.08Å; K457-A460 PolarHBondContact O-N 2.97Å; W458-A460 PolarHBondContact O-N 3.36Å; A460-W464 HydrophobicContact CB-CE3 3.74Å; A460-W464 HydrophobicContact CB-CZ3 3.63Å; A460-W464 PolarHBondContact O-N 2.95Å |
| 461 | F | 95.8 | Very high | 89.9 | Confident | 56 Ų | 56 | 53.6 Ų | 53.6 | 25% | 0.246 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.9 | -50.3 | 173.9 | 171.4 | -102.2 | 0 | 0 | 0 | 110.6 | Y441 W458 F459 F463 C465 I466 | Y441-F461 HydrophobicContact CD1-CB 4.17Å; Y441-F461 AromaticContact CD1-CD2 3.89Å; Y441-F461 HydrophobicContact CD1-CD2 3.89Å; Y441-F461 HydrophobicContact CD2-CB 3.64Å; Y441-F461 HydrophobicContact CE1-CB 4.24Å; Y441-F461 AromaticContact CE1-CD2 3.79Å; Y441-F461 HydrophobicContact CE1-CD2 3.79Å; Y441-F461 HydrophobicContact CE1-CG 4.39Å; Y441-F461 HydrophobicContact CE2-CB 3.71Å; Y441-F461 HydrophobicContact CG-CB 3.87Å; Y441-F461 HydrophobicContact CG-CD2 4.41Å; W458-F461 AromaticContact CD1-CD1 3.91Å; W458-F461 AromaticContact NE1-CD1 3.42Å; W458-F461 WeakPolarHBondContact O-CB 3.27Å; W458-F461 PolarHBondContact O-N 3.03Å; F459-F461 VanDerWaalsContact C-N 3.29Å; F459-F461 PolarHBondContact O-N 3.43Å; F461-F463 VanDerWaalsContact C-N 3.33Å; F461-F463 PolarHBondContact O-N 3.19Å; F461-C465 HydrophobicContact CD2-CB 3.7Å; F461-C465 HydrophobicContact CE2-CB 3.83Å; F461-C465 HydrophobicContact CG-CB 4.41Å; F461-C465 WeakPolarHBondContact O-CA 3.47Å; F461-C465 WeakPolarHBondContact O-CB 3.28Å; F461-C465 PolarHBondContact O-N 3.06Å; F461-I466 HydrophobicContact CD1-CD1 4.2Å; F461-I466 HydrophobicContact CE1-CD1 3.45Å; F461-I466 VanDerWaalsContact CE1-CD1 3.45Å; F461-I466 HydrophobicContact CE1-CG1 4.24Å; F461-I466 HydrophobicContact CZ-CD1 3.8Å; F461-I466 HydrophobicContact CZ-CG1 4.27Å |
| 462 | L | 95.6 | Very high | 90.6 | Very high | 47 Ų | 47 | 52.8 Ų | 52.8 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -55.3 | -49.6 | 179.5 | -178.8 | 64.1 | 0 | 0 | 0 | 111.3 | W458 F459 I466 T467 | W458-L462 PolarHBondContact O-N 2.86Å; W458-L462 VanDerWaalsContact O-N 3.08Å; F459-L462 HydrophobicContact CD1-CD2 4.45Å; F459-L462 PolarHBondContact O-N 3.42Å; L462-I466 WeakPolarHBondContact O-CB 3.19Å; L462-I466 PolarHBondContact O-N 3Å; L462-T467 HydrophobicContact CD1-CG2 3.79Å; L462-T467 HydrophobicContact CG-CG2 3.99Å; L462-T467 PolarHBondContact O-N 2.84Å; L462-T467 PolarHBondContact O-OG1 2.91Å |
| 463 | F | 92.4 | Very high | 91.7 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 23% | 0.228 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -68.6 | -58.8 | -178.2 | -71 | -41.2 | 0 | 0 | 0 | 112.9 | P74 F459 F461 T467 T468 P469 | P74-F463 HydrophobicContact CB-CB 4.07Å; P74-F463 HydrophobicContact CB-CD1 4.44Å; P74-F463 HydrophobicContact CB-CG 4.21Å; P74-F463 HydrophobicContact CG-CB 4.26Å; P74-F463 HydrophobicContact CG-CD1 3.7Å; P74-F463 HydrophobicContact CG-CD2 4.44Å; P74-F463 HydrophobicContact CG-CE1 4.13Å; P74-F463 HydrophobicContact CG-CG 3.9Å; F459-F463 HydrophobicContact CB-CD2 4.27Å; F459-F463 HydrophobicContact CB-CE2 4.15Å; F459-F463 HydrophobicContact CD1-CE2 4.49Å; F459-F463 WeakPolarHBondContact O-CB 3.42Å; F459-F463 VanDerWaalsContact O-CD2 3.28Å; F459-F463 WeakPolarHBondContact O-CD2 3.42Å; F459-F463 WeakPolarHBondContact O-CG 3.24Å; F459-F463 PolarHBondContact O-N 3.2Å; F461-F463 VanDerWaalsContact C-N 3.33Å; F461-F463 PolarHBondContact O-N 3.19Å; F463-T467 WeakPolarHBondContact CA-OG1 3.41Å; F463-T468 WeakPolarHBondContact O-CB 3.33Å; F463-T468 PolarHBondContact O-N 3.04Å; F463-T468 PolarHBondContact O-OG1 3.25Å; F463-T468 VanDerWaalsContact O-OG1 3.12Å; F463-P469 VanDerWaalsContact O-CD 3.3Å; F463-P469 WeakPolarHBondContact O-CD 3.43Å |
| 464 | W | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -91.6 | -10.4 | -167 | -56.4 | -44.5 | 0 | 0 | 0 | 114.5 | P74 L77 L78 S432 I444 M448 L456 A460 P469 | P74-W464 PolarHBondContact O-NE1 3.26Å; L77-W464 HydrophobicContact CG-CZ2 4.43Å; L78-W464 HydrophobicContact CB-CZ2 3.99Å; L78-W464 HydrophobicContact CD1-CD2 3.83Å; L78-W464 HydrophobicContact CD1-CE3 4.17Å; L78-W464 HydrophobicContact CD1-CG 4.28Å; L78-W464 HydrophobicContact CD1-CH2 4.2Å; L78-W464 HydrophobicContact CD1-CZ2 3.88Å; L78-W464 HydrophobicContact CD1-CZ3 4.35Å; L78-W464 HydrophobicContact CD2-CG 4.28Å; S432-W464 CarbonylContact C-O 3.59Å; I444-W464 HydrophobicContact CG1-CZ3 4.2Å; I444-W464 HydrophobicContact CG2-CE3 3.81Å; I444-W464 HydrophobicContact CG2-CZ3 3.55Å; M448-W464 HydrophobicContact SD-CH2 3.7Å; M448-W464 HydrophobicContact SD-CZ3 4.22Å; L456-W464 HydrophobicContact CD1-CH2 3.9Å; L456-W464 HydrophobicContact CD1-CZ2 4.34Å; L456-W464 HydrophobicContact CD1-CZ3 4.43Å; A460-W464 HydrophobicContact CB-CE3 3.74Å; A460-W464 HydrophobicContact CB-CZ3 3.63Å; A460-W464 PolarHBondContact O-N 2.95Å; W464-P469 WeakPolarHBondContact O-CG 3.33Å |
| 465 | C | 97.4 | Very high | 93.6 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -104.7 | -27 | 174.1 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | G436 Y437 F461 | G436-C465 VanDerWaalsContact C-SG 3.59Å; G436-C465 PolarHBondContact O-SG 3.41Å; Y437-C465 HydrophobicContact CD2-CB 4.48Å; Y437-C465 HydrophobicContact CE1-CB 3.97Å; Y437-C465 HydrophobicContact CE2-CB 3.86Å; Y437-C465 WeakPolarHBondContact CE2-O 3.41Å; Y437-C465 PolarHBondContact OH-O 2.77Å; F461-C465 HydrophobicContact CD2-CB 3.7Å; F461-C465 HydrophobicContact CE2-CB 3.83Å; F461-C465 HydrophobicContact CG-CB 4.41Å; F461-C465 WeakPolarHBondContact O-CA 3.47Å; F461-C465 WeakPolarHBondContact O-CB 3.28Å; F461-C465 PolarHBondContact O-N 3.06Å |
| 466 | I | 96.5 | Very high | 94.1 | Very high | 60 Ų | 60 | 49.9 Ų | 49.9 | 31% | 0.308 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -119.7 | -73.1 | -173.2 | -56.8 | 178.9 | 0 | 0 | 0 | 111.4 | F461 L462 L470 | F461-I466 HydrophobicContact CD1-CD1 4.2Å; F461-I466 HydrophobicContact CE1-CD1 3.45Å; F461-I466 VanDerWaalsContact CE1-CD1 3.45Å; F461-I466 HydrophobicContact CE1-CG1 4.24Å; F461-I466 HydrophobicContact CZ-CD1 3.8Å; F461-I466 HydrophobicContact CZ-CG1 4.27Å; L462-I466 WeakPolarHBondContact O-CB 3.19Å; L462-I466 PolarHBondContact O-N 3Å; I466-L470 HydrophobicContact CG2-CD1 3.81Å; I466-L470 WeakPolarHBondContact O-CB 3.49Å; I466-L470 WeakPolarHBondContact O-CD1 3.35Å; I466-L470 WeakPolarHBondContact O-CG 3.31Å; I466-L470 PolarHBondContact O-N 3.26Å |
| 467 | T | 96.3 | Very high | 94.7 | Very high | 32 Ų | 32 | 52.1 Ų | 52.1 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -70.6 | -48.9 | -163.2 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | L462 F463 F471 | L462-T467 HydrophobicContact CD1-CG2 3.79Å; L462-T467 HydrophobicContact CG-CG2 3.99Å; L462-T467 PolarHBondContact O-N 2.84Å; L462-T467 PolarHBondContact O-OG1 2.91Å; F463-T467 WeakPolarHBondContact CA-OG1 3.41Å; T467-F471 WeakPolarHBondContact O-CB 3.36Å; T467-F471 PolarHBondContact O-N 3.04Å |
| 468 | T | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.4 | -46.5 | -178.9 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | L70 A71 P74 L75 F463 S472 | L70-T468 VanDerWaalsContact O-CA 3.27Å; L70-T468 WeakPolarHBondContact O-CA 3.32Å; L70-T468 WeakPolarHBondContact O-CB 3.48Å; L70-T468 PolarHBondContact O-OG1 2.96Å; A71-T468 HydrophobicContact CB-CG2 4.49Å; P74-T468 WeakPolarHBondContact CB-OG1 3.46Å; L75-T468 HydrophobicContact CD1-CG2 3.89Å; L75-T468 HydrophobicContact CD2-CG2 3.62Å; L75-T468 HydrophobicContact CG-CG2 3.55Å; F463-T468 WeakPolarHBondContact O-CB 3.33Å; F463-T468 PolarHBondContact O-N 3.04Å; F463-T468 PolarHBondContact O-OG1 3.25Å; F463-T468 VanDerWaalsContact O-OG1 3.12Å; T468-S472 VanDerWaalsContact O-CB 3.27Å; T468-S472 WeakPolarHBondContact O-CB 3.21Å; T468-S472 PolarHBondContact O-N 3.32Å; T468-S472 PolarHBondContact O-OG 3.43Å |
| 469 | P | 97.4 | Very high | 95 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 7% | 0.065 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.8 | -51 | 173.5 | -26.9 | 35.2 | 0 | 0 | 0 | 113.1 | L429 F463 W464 F471 S472 L473 | L429-P469 HydrophobicContact CD1-CB 4.09Å; L429-P469 VanDerWaalsContact CD1-O 3.3Å; L429-P469 WeakPolarHBondContact CD1-O 3.41Å; F463-P469 VanDerWaalsContact O-CD 3.3Å; F463-P469 WeakPolarHBondContact O-CD 3.43Å; W464-P469 WeakPolarHBondContact O-CG 3.33Å; P469-F471 VanDerWaalsContact C-N 3.32Å; P469-F471 PolarHBondContact O-N 3.39Å; P469-S472 PolarHBondContact O-N 3.19Å; P469-L473 VanDerWaalsContact O-CB 3.3Å; P469-L473 WeakPolarHBondContact O-CB 3.31Å; P469-L473 PolarHBondContact O-N 2.92Å |
| 470 | L | 97.1 | Very high | 95.2 | Very high | 108 Ų | 108 | 36.8 Ų | 36.8 | 57% | 0.565 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -63.2 | -40.8 | -178.4 | -70.8 | 173.4 | 0 | 0 | 0 | 111.6 | I466 L473 A474 | I466-L470 HydrophobicContact CG2-CD1 3.81Å; I466-L470 WeakPolarHBondContact O-CB 3.49Å; I466-L470 WeakPolarHBondContact O-CD1 3.35Å; I466-L470 WeakPolarHBondContact O-CG 3.31Å; I466-L470 PolarHBondContact O-N 3.26Å; L470-L473 PolarHBondContact O-N 2.57Å; L470-A474 VanDerWaalsContact O-CB 3.29Å; L470-A474 WeakPolarHBondContact O-CB 3.48Å; L470-A474 PolarHBondContact O-N 3.45Å |
| 471 | F | 96 | Very high | 95.2 | Very high | 29 Ų | 29 | 42.1 Ų | 42.1 | 13% | 0.127 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.2 | -43.6 | 178.6 | -171.3 | -105.3 | 0 | 0 | 0 | 111.9 | I66 S67 L70 A71 T467 P469 L473 A474 L475 | I66-F471 HydrophobicContact CG2-CE2 4.39Å; S67-F471 VanDerWaalsContact OG-CZ 3.26Å; S67-F471 WeakPolarHBondContact OG-CZ 3.16Å; L70-F471 HydrophobicContact CB-CB 4.18Å; L70-F471 HydrophobicContact CB-CD1 3.89Å; L70-F471 HydrophobicContact CB-CD2 4.18Å; L70-F471 HydrophobicContact CB-CE1 4.29Å; L70-F471 HydrophobicContact CB-CG 3.81Å; L70-F471 HydrophobicContact CD1-CD2 3.56Å; L70-F471 HydrophobicContact CD1-CE2 3.86Å; L70-F471 HydrophobicContact CD1-CG 4.05Å; A71-F471 HydrophobicContact CB-CD1 3.84Å; A71-F471 HydrophobicContact CB-CE1 4.24Å; T467-F471 WeakPolarHBondContact O-CB 3.36Å; T467-F471 PolarHBondContact O-N 3.04Å; P469-F471 VanDerWaalsContact C-N 3.32Å; P469-F471 PolarHBondContact O-N 3.39Å; F471-L473 VanDerWaalsContact C-N 3.33Å; F471-L473 PolarHBondContact O-N 3.41Å; F471-A474 PolarHBondContact O-N 3.17Å; F471-L475 HydrophobicContact CD1-CD1 3.77Å; F471-L475 HydrophobicContact CD1-CG 4.22Å; F471-L475 HydrophobicContact CE1-CD1 3.33Å; F471-L475 HydrophobicContact CE1-CD2 4.47Å; F471-L475 HydrophobicContact CE1-CG 3.9Å; F471-L475 HydrophobicContact CZ-CD1 3.9Å; F471-L475 HydrophobicContact CZ-CD2 4.2Å; F471-L475 HydrophobicContact CZ-CG 4.05Å; F471-L475 WeakPolarHBondContact O-CB 3.44Å; F471-L475 WeakPolarHBondContact O-CG 3.41Å; F471-L475 PolarHBondContact O-N 3.08Å |
| 472 | S | 96 | Very high | 95 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 176.6 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | T468 P469 F476 | T468-S472 VanDerWaalsContact O-CB 3.27Å; T468-S472 WeakPolarHBondContact O-CB 3.21Å; T468-S472 PolarHBondContact O-N 3.32Å; T468-S472 PolarHBondContact O-OG 3.43Å; P469-S472 PolarHBondContact O-N 3.19Å; S472-F476 WeakPolarHBondContact O-CB 3.47Å; S472-F476 PolarHBondContact O-N 3.44Å |
| 473 | L | 96.4 | Very high | 94.7 | Very high | 70 Ų | 70 | 41.8 Ų | 41.8 | 37% | 0.366 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 173.9 | 179.2 | 61.3 | 0 | 0 | 0 | 111.6 | L429 P469 L470 F471 F476 I477 | L429-L473 HydrophobicContact CD1-CB 4.08Å; L429-L473 HydrophobicContact CD2-CB 4.29Å; L429-L473 HydrophobicContact CD2-CD1 4.03Å; P469-L473 VanDerWaalsContact O-CB 3.3Å; P469-L473 WeakPolarHBondContact O-CB 3.31Å; P469-L473 PolarHBondContact O-N 2.92Å; L470-L473 PolarHBondContact O-N 2.57Å; F471-L473 VanDerWaalsContact C-N 3.33Å; F471-L473 PolarHBondContact O-N 3.41Å; L473-F476 PolarHBondContact O-N 2.94Å; L473-I477 HydrophobicContact CD1-CD1 4.02Å; L473-I477 HydrophobicContact CD1-CG1 4.28Å; L473-I477 HydrophobicContact CG-CD1 3.94Å; L473-I477 VanDerWaalsContact O-CG1 3.32Å; L473-I477 WeakPolarHBondContact O-CG1 3.24Å; L473-I477 PolarHBondContact O-N 3.18Å |
| 474 | A | 95.9 | Very high | 94.6 | Very high | 44 Ų | 44 | 46 Ų | 46 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | L470 F471 F476 I477 I478 | L470-A474 VanDerWaalsContact O-CB 3.29Å; L470-A474 WeakPolarHBondContact O-CB 3.48Å; L470-A474 PolarHBondContact O-N 3.45Å; F471-A474 PolarHBondContact O-N 3.17Å; A474-F476 VanDerWaalsContact C-N 3.32Å; A474-F476 PolarHBondContact O-N 3.34Å; A474-I477 PolarHBondContact O-N 2.79Å; A474-I478 WeakPolarHBondContact O-CB 3.49Å; A474-I478 WeakPolarHBondContact O-CG1 3.17Å; A474-I478 PolarHBondContact O-N 3.15Å |
| 475 | L | 94.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -42 | 174.6 | -75.8 | -178.7 | 0 | 0 | 0 | 112 | W261 F269 L425 F471 I478 S479 | W261-L475 WeakPolarHBondContact O-CD2 3.48Å; F269-L475 HydrophobicContact CE2-CD1 4.26Å; L425-L475 HydrophobicContact CD1-CB 4.22Å; L425-L475 HydrophobicContact CD2-CB 4.22Å; L425-L475 HydrophobicContact CD2-CD1 4.25Å; F471-L475 HydrophobicContact CD1-CD1 3.77Å; F471-L475 HydrophobicContact CD1-CG 4.22Å; F471-L475 HydrophobicContact CE1-CD1 3.33Å; F471-L475 HydrophobicContact CE1-CD2 4.47Å; F471-L475 HydrophobicContact CE1-CG 3.9Å; F471-L475 HydrophobicContact CZ-CD1 3.9Å; F471-L475 HydrophobicContact CZ-CD2 4.2Å; F471-L475 HydrophobicContact CZ-CG 4.05Å; F471-L475 WeakPolarHBondContact O-CB 3.44Å; F471-L475 WeakPolarHBondContact O-CG 3.41Å; F471-L475 PolarHBondContact O-N 3.08Å; L475-I478 PolarHBondContact O-N 3.37Å; L475-S479 WeakPolarHBondContact O-CB 3.46Å; L475-S479 PolarHBondContact O-N 3.29Å; L475-S479 PolarHBondContact O-OG 2.9Å |
| 476 | F | 94.1 | Very high | 94.2 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -49.6 | 176.7 | 176.6 | -109.3 | 0 | 0 | 0 | 111.3 | L425 I426 S472 L473 A474 I478 S479 V480 | L425-F476 HydrophobicContact CB-CB 4.14Å; L425-F476 HydrophobicContact CB-CD2 4.43Å; L425-F476 HydrophobicContact CD1-CB 4.47Å; I426-F476 HydrophobicContact CD1-CD2 4.17Å; I426-F476 HydrophobicContact CD1-CE1 4.44Å; I426-F476 HydrophobicContact CD1-CE2 3.5Å; I426-F476 VanDerWaalsContact CD1-CE2 3.5Å; I426-F476 HydrophobicContact CD1-CZ 3.65Å; I426-F476 HydrophobicContact CG1-CD2 3.65Å; I426-F476 HydrophobicContact CG1-CE1 4.45Å; I426-F476 HydrophobicContact CG1-CE2 3.52Å; I426-F476 HydrophobicContact CG1-CG 4.19Å; I426-F476 HydrophobicContact CG1-CZ 3.94Å; S472-F476 WeakPolarHBondContact O-CB 3.47Å; S472-F476 PolarHBondContact O-N 3.44Å; L473-F476 PolarHBondContact O-N 2.94Å; A474-F476 VanDerWaalsContact C-N 3.32Å; A474-F476 PolarHBondContact O-N 3.34Å; F476-I478 PolarHBondContact O-N 2.7Å; F476-S479 PolarHBondContact O-N 3.02Å; F476-S479 VanDerWaalsContact O-N 3.15Å; F476-S479 PolarHBondContact O-OG 3.45Å; F476-V480 HydrophobicContact CD2-CG2 4.42Å; F476-V480 HydrophobicContact CE1-CG2 4.17Å; F476-V480 HydrophobicContact CE2-CG2 3.93Å; F476-V480 HydrophobicContact CZ-CG2 3.8Å; F476-V480 WeakPolarHBondContact O-CG2 3.35Å; F476-V480 PolarHBondContact O-N 2.92Å |
| 477 | I | 95.4 | Very high | 94 | Very high | 83 Ų | 83 | 51 Ų | 51 | 43% | 0.426 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 177.6 | -68.7 | 167.7 | 0 | 0 | 0 | 110.6 | L473 A474 S479 V480 I481 | L473-I477 HydrophobicContact CD1-CD1 4.02Å; L473-I477 HydrophobicContact CD1-CG1 4.28Å; L473-I477 HydrophobicContact CG-CD1 3.94Å; L473-I477 VanDerWaalsContact O-CG1 3.32Å; L473-I477 WeakPolarHBondContact O-CG1 3.24Å; L473-I477 PolarHBondContact O-N 3.18Å; A474-I477 PolarHBondContact O-N 2.79Å; I477-S479 VanDerWaalsContact C-N 3.32Å; I477-S479 PolarHBondContact O-N 3.16Å; I477-V480 PolarHBondContact O-N 2.72Å; I477-V480 VanDerWaalsContact O-N 3.13Å; I477-I481 HydrophobicContact CG2-CD1 3.76Å; I477-I481 HydrophobicContact CG2-CG1 4.45Å; I477-I481 WeakPolarHBondContact O-CG1 3.34Å; I477-I481 PolarHBondContact O-N 3.22Å |
| 478 | I | 94 | Very high | 93.8 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 19% | 0.185 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 177.1 | -65.4 | 166.2 | 0 | 0 | 0 | 109.9 | M258 A474 L475 F476 V480 I481 V482 | M258-I478 HydrophobicContact CB-CG2 3.92Å; M258-I478 WeakPolarHBondContact O-CG2 3.4Å; A474-I478 WeakPolarHBondContact O-CB 3.49Å; A474-I478 WeakPolarHBondContact O-CG1 3.17Å; A474-I478 PolarHBondContact O-N 3.15Å; L475-I478 PolarHBondContact O-N 3.37Å; F476-I478 PolarHBondContact O-N 2.7Å; I478-V480 PolarHBondContact O-N 2.97Å; I478-I481 PolarHBondContact O-N 2.74Å; I478-I481 VanDerWaalsContact O-N 3.07Å; I478-V482 HydrophobicContact CG2-CG1 4.17Å; I478-V482 HydrophobicContact CG2-CG2 4.49Å; I478-V482 VanDerWaalsContact O-CG2 3.29Å; I478-V482 WeakPolarHBondContact O-CG2 3.43Å; I478-V482 PolarHBondContact O-N 3.47Å |
| 479 | S | 91.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.3 | -27.5 | 178.9 | 82.9 | 0 | 0 | 0 | 0 | 112.7 | R422 L475 F476 I477 | R422-S479 PolarHBondContact NH1-O 3.03Å; L475-S479 WeakPolarHBondContact O-CB 3.46Å; L475-S479 PolarHBondContact O-N 3.29Å; L475-S479 PolarHBondContact O-OG 2.9Å; F476-S479 PolarHBondContact O-N 3.02Å; F476-S479 VanDerWaalsContact O-N 3.15Å; F476-S479 PolarHBondContact O-OG 3.45Å; I477-S479 VanDerWaalsContact C-N 3.32Å; I477-S479 PolarHBondContact O-N 3.16Å |
| 480 | V | 92 | Very high | 93 | Very high | 83 Ų | 83 | 57.8 Ų | 57.8 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -78.3 | -42.5 | 173.7 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | F476 I477 I478 Y483 | F476-V480 HydrophobicContact CD2-CG2 4.42Å; F476-V480 HydrophobicContact CE1-CG2 4.17Å; F476-V480 HydrophobicContact CE2-CG2 3.93Å; F476-V480 HydrophobicContact CZ-CG2 3.8Å; F476-V480 WeakPolarHBondContact O-CG2 3.35Å; F476-V480 PolarHBondContact O-N 2.92Å; I477-V480 PolarHBondContact O-N 2.72Å; I477-V480 VanDerWaalsContact O-N 3.13Å; I478-V480 PolarHBondContact O-N 2.97Å; V480-Y483 WeakPolarHBondContact O-CB 3.39Å; V480-Y483 PolarHBondContact O-N 2.93Å |
| 481 | I | 93.2 | Very high | 92.2 | Very high | 111 Ų | 111 | 54.4 Ų | 54.4 | 57% | 0.569 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 179 | -68.6 | 168.1 | 0 | 0 | 0 | 111.4 | M258 I477 I478 Y483 | M258-I481 HydrophobicContact CE-CG2 4.32Å; I477-I481 HydrophobicContact CG2-CD1 3.76Å; I477-I481 HydrophobicContact CG2-CG1 4.45Å; I477-I481 WeakPolarHBondContact O-CG1 3.34Å; I477-I481 PolarHBondContact O-N 3.22Å; I478-I481 PolarHBondContact O-N 2.74Å; I478-I481 VanDerWaalsContact O-N 3.07Å; I481-Y483 VanDerWaalsContact C-N 3.27Å; I481-Y483 PolarHBondContact O-N 3.1Å |
| 482 | V | 90.6 | Very high | 91.5 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 19.4 | -178.3 | -50.8 | 0 | 0 | 0 | 0 | 113 | M258 T259 I478 E484 | M258-V482 HydrophobicContact CB-CG1 4.12Å; T259-V482 HydrophobicContact CG2-CB 4Å; T259-V482 HydrophobicContact CG2-CG1 4.06Å; T259-V482 HydrophobicContact CG2-CG2 4.48Å; I478-V482 HydrophobicContact CG2-CG1 4.17Å; I478-V482 HydrophobicContact CG2-CG2 4.49Å; I478-V482 VanDerWaalsContact O-CG2 3.29Å; I478-V482 WeakPolarHBondContact O-CG2 3.43Å; I478-V482 PolarHBondContact O-N 3.47Å; V482-E484 PolarHBondContact O-N 3.36Å |
| 483 | Y | 90.7 | Very high | 90.9 | Very high | 68 Ų | 68 | 58.4 Ų | 58.4 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | trans | -64 | 126.3 | 177.6 | 171.1 | -98.7 | 0 | 0 | 0 | 110.8 | Y417 Y418 V480 I481 W508 | Y417-Y483 HydrophobicContact CE1-CE2 4.11Å; Y418-Y483 PolarHBondContact OH-OH 3.32Å; V480-Y483 WeakPolarHBondContact O-CB 3.39Å; V480-Y483 PolarHBondContact O-N 2.93Å; I481-Y483 VanDerWaalsContact C-N 3.27Å; I481-Y483 PolarHBondContact O-N 3.1Å; Y483-W508 HydrophobicContact CD2-CZ2 4.23Å; Y483-W508 HydrophobicContact CE1-CZ2 4.28Å; Y483-W508 HydrophobicContact CE2-CH2 4.38Å; Y483-W508 AromaticContact CE2-CZ2 3.65Å; Y483-W508 HydrophobicContact CE2-CZ2 3.65Å; Y483-W508 AromaticContact CZ-CZ2 3.68Å; Y483-W508 PolarHBondContact OH-NE1 3.41Å | ||
| 484 | E | 90.2 | Very high | 90.2 | Very high | 141 Ų | 141 | 59.6 Ų | 59.6 | 66% | 0.659 | 32% | 0.319 | S | S | * | . | trans | -115.7 | 144.1 | 168.2 | -67.4 | -179.4 | 172.7 | 0 | 0 | 109.2 | Y417 V482 | Y417-E484 PolarHBondContact OH-O 2.85Å; V482-E484 PolarHBondContact O-N 3.36Å | ||
| 485 | E | 92.3 | Very high | 89.8 | Confident | 95 Ų | 95 | 63.9 Ų | 63.9 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | trans | -64.8 | 144.1 | 175.9 | -168.3 | 171.4 | 119.4 | 0 | 0 | 110.4 | T487 V504 | E485-T487 PolarHBondContact O-N 3Å; E485-V504 HydrophobicContact CG-CG1 4.47Å; E485-V504 HydrophobicContact CG-CG2 4.03Å | ||
| 486 | L | 92.9 | Very high | 89.7 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | trans | -58.9 | 124.4 | 179.8 | 175.8 | 62.4 | 0 | 0 | 0 | 110.5 | Q413 L414 Y417 Y418 F499 | Q413-L486 HydrophobicContact CB-CD1 4.45Å; Q413-L486 HydrophobicContact CB-CD2 4.14Å; L414-L486 HydrophobicContact CD2-CD2 3.79Å; L414-L486 HydrophobicContact CG-CD2 4.37Å; Y417-L486 HydrophobicContact CD1-CB 3.9Å; Y417-L486 HydrophobicContact CD1-CD1 4.26Å; Y417-L486 HydrophobicContact CD1-CG 4.47Å; Y417-L486 HydrophobicContact CD2-CD1 3.85Å; Y417-L486 HydrophobicContact CE1-CB 4.12Å; Y417-L486 HydrophobicContact CG-CB 4.24Å; Y417-L486 HydrophobicContact CG-CD1 3.72Å; Y417-L486 HydrophobicContact CG-CG 4.36Å; Y418-L486 HydrophobicContact CE2-CB 4.17Å; Y418-L486 HydrophobicContact CE2-CD2 4.05Å; L486-F499 HydrophobicContact CB-CD2 4.38Å; L486-F499 HydrophobicContact CD2-CD1 4.38Å; L486-F499 HydrophobicContact CD2-CD2 3.98Å; L486-F499 HydrophobicContact CD2-CE1 4.12Å; L486-F499 HydrophobicContact CD2-CE2 3.73Å; L486-F499 HydrophobicContact CD2-CG 4.31Å; L486-F499 HydrophobicContact CD2-CZ 3.81Å; L486-F499 HydrophobicContact CG-CD2 3.81Å; L486-F499 HydrophobicContact CG-CE2 3.65Å; L486-F499 HydrophobicContact CG-CZ 4.24Å; L486-F499 WeakPolarHBondContact O-CD2 3.42Å | ||
| 487 | T | 92.6 | Very high | 89.7 | Confident | 65 Ų | 65 | 64.4 Ų | 64.4 | 40% | 0.399 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 153.7 | 169.9 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | E485 Y497 | E485-T487 PolarHBondContact O-N 3Å; T487-Y497 WeakPolarHBondContact CA-O 3.28Å |
| 488 | Y | 92.3 | Very high | 89.7 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 9% | 0.086 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 110.4 | 177.1 | 176.8 | -126 | 0 | 0 | 0 | 111 | L192 M409 Y410 Q413 R490 Y497 | L192-Y488 HydrophobicContact CD2-CE1 4.16Å; M409-Y488 HydrophobicContact CE-CE2 4.23Å; M409-Y488 HydrophobicContact CG-CE1 3.95Å; M409-Y488 HydrophobicContact CG-CE2 4.43Å; Y410-Y488 HydrophobicContact CD1-CD1 4.13Å; Y410-Y488 AromaticContact CE1-CD1 3.73Å; Y410-Y488 HydrophobicContact CE1-CD1 3.73Å; Y410-Y488 HydrophobicContact CE1-CE1 4.2Å; Q413-Y488 HydrophobicContact CG-CD2 4.08Å; Q413-Y488 HydrophobicContact CG-CG 4.29Å; Y488-R490 HydrophobicContact CD1-CG 3.92Å; Y488-R490 HydrophobicContact CE1-CG 3.59Å; Y488-Y497 PolarHBondContact N-O 3.45Å; Y488-Y497 WeakPolarHBondContact O-CB 3.43Å; Y488-Y497 PolarHBondContact O-N 3.02Å |
| 489 | K | 88.8 | Confident | 89.8 | Confident | 149 Ų | 149 | 64.7 Ų | 64.7 | 65% | 0.648 | 34% | 0.336 | S | S | * | . | trans | -80 | 123.2 | 176.2 | -171 | -178.3 | 179.3 | -172.4 | 0 | 109.8 | ||||
| 490 | R | 87.5 | Confident | 90.1 | Very high | 15 Ų | 15 | 66 Ų | 66 | 6% | 0.057 | 35% | 0.345 | C | S | . | . | trans | -103.6 | 140.7 | 170.7 | -60.4 | -176.3 | -147.7 | 169.1 | 13.9 | 108.8 | L192 S193 D194 Y410 Y488 S492 L493 | L192-R490 HydrophobicContact CD2-CG 4.38Å; S193-R490 PolarHBondContact O-NH1 3.15Å; D194-R490 PolarHBondContact O-NH1 3.43Å; D194-R490 PolarHBondContact O-NH2 2.88Å; Y410-R490 VanDerWaalsContact CE1-NH2 3.29Å; Y410-R490 VanDerWaalsContact CZ-NH2 3.28Å; Y410-R490 PolarHBondContact OH-NE 2.98Å; Y410-R490 PolarHBondContact OH-NH1 3.41Å; Y410-R490 PolarHBondContact OH-NH2 2.87Å; Y488-R490 HydrophobicContact CD1-CG 3.92Å; Y488-R490 HydrophobicContact CE1-CG 3.59Å; R490-S492 VanDerWaalsContact C-N 3.26Å; R490-S492 PolarHBondContact O-N 3.18Å; R490-L493 HydrophobicContact CB-CB 4.24Å; R490-L493 HydrophobicContact CB-CD1 4.35Å; R490-L493 HydrophobicContact CB-CG 4.21Å; R490-L493 HydrophobicContact CG-CD1 4.45Å; R490-L493 PolarHBondContact O-N 3.32Å | ||
| 491 | A | 79 | Confident | 90.3 | Very high | 36 Ų | 36 | 64.3 Ų | 64.3 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -22.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T182 E186 L493 | T182-A491 HydrophobicContact CG2-CB 3.49Å; T182-A491 VanDerWaalsContact CG2-CB 3.49Å; E186-A491 PolarHBondContact OE1-N 2.93Å; A491-L493 VanDerWaalsContact C-N 3.32Å |
| 492 | S | 81.2 | Confident | 90.5 | Very high | 35 Ų | 35 | 65.7 Ų | 65.7 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -11.8 | 173.2 | 60.1 | 0 | 0 | 0 | 0 | 115.1 | E186 R490 | E186-S492 WeakPolarHBondContact OE2-CB 3.38Å; E186-S492 PolarHBondContact OE2-OG 3.2Å; R490-S492 VanDerWaalsContact C-N 3.26Å; R490-S492 PolarHBondContact O-N 3.18Å |
| 493 | L | 84.7 | Confident | 90.9 | Very high | 78 Ų | 78 | 64.3 Ų | 64.3 | 41% | 0.408 | 33% | 0.334 | S | S | . | . | trans | -117.3 | 141.3 | -178.7 | -60.5 | -179.3 | 0 | 0 | 0 | 110.9 | R490 A491 Q495 | R490-L493 HydrophobicContact CB-CB 4.24Å; R490-L493 HydrophobicContact CB-CD1 4.35Å; R490-L493 HydrophobicContact CB-CG 4.21Å; R490-L493 HydrophobicContact CG-CD1 4.45Å; R490-L493 PolarHBondContact O-N 3.32Å; A491-L493 VanDerWaalsContact C-N 3.32Å; L493-Q495 VanDerWaalsContact C-N 3.33Å | ||
| 494 | S | 81.9 | Confident | 91.1 | Very high | 96 Ų | 96 | 61.7 Ų | 61.7 | 67% | 0.671 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -74.1 | -25.3 | 176.9 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 495 | Q | 87.5 | Confident | 91.4 | Very high | 134 Ų | 134 | 62.7 Ų | 62.7 | 63% | 0.626 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -114.1 | 145.5 | -178.7 | -63.9 | -59.2 | -47.5 | 0 | 0 | 110.5 | L493 | L493-Q495 VanDerWaalsContact C-N 3.33Š|
| 496 | P | 91.4 | Very high | 91.6 | Very high | 44 Ų | 44 | 62.4 Ų | 62.4 | 29% | 0.286 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 146.6 | 175 | 30.2 | -34.2 | 0 | 0 | 0 | 110.9 | H498 | P496-H498 PolarHBondContact O-CD2 3.35Å; P496-H498 PolarHBondContact O-N 2.87Å |
| 497 | Y | 94 | Very high | 91.7 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 10% | 0.102 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 125.4 | 170.6 | 178.1 | -96.7 | 0 | 0 | 0 | 109.9 | G195 I196 H197 Y410 T487 Y488 F499 | G195-Y497 WeakPolarHBondContact CA-OH 3.38Å; I196-Y497 PolarHBondContact N-OH 3.49Å; I196-Y497 VanDerWaalsContact N-OH 3.09Å; H197-Y497 PolarHBondContact CE1-OH 3.47Å; H197-Y497 PolarHBondContact NE2-OH 2.93Å; H197-Y497 VanDerWaalsContact NE2-OH 3.08Å; Y410-Y497 AromaticContact CD1-CD1 3.79Å; Y410-Y497 HydrophobicContact CD1-CD1 3.79Å; Y410-Y497 AromaticContact CD1-CE1 3.74Å; Y410-Y497 HydrophobicContact CD1-CE1 3.74Å; Y410-Y497 HydrophobicContact CD1-CG 4.45Å; Y410-Y497 AromaticContact CE1-CD1 3.9Å; Y410-Y497 HydrophobicContact CE1-CD1 3.9Å; Y410-Y497 HydrophobicContact CE1-CD2 4.48Å; Y410-Y497 HydrophobicContact CE1-CE1 4.1Å; Y410-Y497 HydrophobicContact CE1-CG 4.1Å; Y410-Y497 HydrophobicContact CG-CE1 4.46Å; T487-Y497 WeakPolarHBondContact CA-O 3.28Å; Y488-Y497 PolarHBondContact N-O 3.45Å; Y488-Y497 WeakPolarHBondContact O-CB 3.43Å; Y488-Y497 PolarHBondContact O-N 3.02Å; Y497-F499 AromaticContact CD1-CD2 3.97Å; Y497-F499 HydrophobicContact CD1-CD2 3.97Å; Y497-F499 AromaticContact CD1-CE2 3.93Å; Y497-F499 HydrophobicContact CD1-CE2 3.93Å; Y497-F499 HydrophobicContact CD1-CG 4.43Å; Y497-F499 HydrophobicContact CD1-CZ 4.36Å; Y497-F499 HydrophobicContact CE1-CD1 4.21Å; Y497-F499 HydrophobicContact CE1-CD2 4.07Å; Y497-F499 HydrophobicContact CE1-CE1 4.37Å; Y497-F499 HydrophobicContact CE1-CE2 4.22Å; Y497-F499 HydrophobicContact CE1-CG 4.07Å; Y497-F499 HydrophobicContact CE1-CZ 4.36Å |
| 498 | H | 95.7 | Very high | 91.8 | Very high | 118 Ų | 118 | 64.2 Ų | 64.2 | 55% | 0.546 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129.5 | 173.5 | -69.7 | -86.9 | 0 | 0 | 0 | 110 | P496 | P496-H498 PolarHBondContact O-CD2 3.35Å; P496-H498 PolarHBondContact O-N 2.87Å |
| 499 | F | 96.9 | Very high | 91.9 | Very high | 7 Ų | 7 | 68.7 Ų | 68.7 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 141.4 | -178.9 | -78.3 | -104.8 | 0 | 0 | 0 | 110.7 | I196 Y410 Q413 L414 L486 Y497 A503 V504 | I196-F499 HydrophobicContact CD1-CD1 4.43Å; I196-F499 HydrophobicContact CD1-CE1 4.34Å; Y410-F499 HydrophobicContact CD1-CZ 4.18Å; Y410-F499 WeakPolarHBondContact O-CE1 3.47Å; Q413-F499 HydrophobicContact CB-CZ 3.84Å; Q413-F499 HydrophobicContact CG-CZ 4.46Å; L414-F499 HydrophobicContact CD2-CD1 4.01Å; L414-F499 HydrophobicContact CD2-CE1 4.17Å; L414-F499 HydrophobicContact CG-CD1 4.25Å; L414-F499 HydrophobicContact CG-CE1 3.98Å; L486-F499 HydrophobicContact CB-CD2 4.38Å; L486-F499 HydrophobicContact CD2-CD1 4.38Å; L486-F499 HydrophobicContact CD2-CD2 3.98Å; L486-F499 HydrophobicContact CD2-CE1 4.12Å; L486-F499 HydrophobicContact CD2-CE2 3.73Å; L486-F499 HydrophobicContact CD2-CG 4.31Å; L486-F499 HydrophobicContact CD2-CZ 3.81Å; L486-F499 HydrophobicContact CG-CD2 3.81Å; L486-F499 HydrophobicContact CG-CE2 3.65Å; L486-F499 HydrophobicContact CG-CZ 4.24Å; L486-F499 WeakPolarHBondContact O-CD2 3.42Å; Y497-F499 AromaticContact CD1-CD2 3.97Å; Y497-F499 HydrophobicContact CD1-CD2 3.97Å; Y497-F499 AromaticContact CD1-CE2 3.93Å; Y497-F499 HydrophobicContact CD1-CE2 3.93Å; Y497-F499 HydrophobicContact CD1-CG 4.43Å; Y497-F499 HydrophobicContact CD1-CZ 4.36Å; Y497-F499 HydrophobicContact CE1-CD1 4.21Å; Y497-F499 HydrophobicContact CE1-CD2 4.07Å; Y497-F499 HydrophobicContact CE1-CE1 4.37Å; Y497-F499 HydrophobicContact CE1-CE2 4.22Å; Y497-F499 HydrophobicContact CE1-CG 4.07Å; Y497-F499 HydrophobicContact CE1-CZ 4.36Å; F499-A503 HydrophobicContact CB-CB 4.34Å; F499-A503 HydrophobicContact CD1-CB 4.07Å; F499-V504 HydrophobicContact CB-CG2 4.06Å |
| 500 | P | 97.1 | Very high | 92.2 | Very high | 28 Ų | 28 | 62 Ų | 62 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 149.8 | 175.4 | 30.6 | -36.5 | 0 | 0 | 0 | 110.1 | I196 W502 A503 V504 | I196-P500 HydrophobicContact CG2-CG 3.58Å; P500-W502 HydrophobicContact CB-CG 4.46Å; P500-W502 HydrophobicContact CG-CD2 4.22Å; P500-W502 HydrophobicContact CG-CG 4.37Å; P500-W502 HydrophobicContact CG-CZ2 4Å; P500-W502 VanDerWaalsContact CG-NE1 3.31Å; P500-W502 PolarHBondContact O-N 3.35Å; P500-A503 HydrophobicContact CG-CB 3.83Å; P500-A503 WeakPolarHBondContact O-CA 3.34Å; P500-A503 WeakPolarHBondContact O-CB 3.28Å; P500-A503 PolarHBondContact O-N 2.72Å; P500-V504 PolarHBondContact O-N 2.93Å |
| 501 | G | 96.7 | Very high | 92.5 | Very high | 47 Ų | 47 | 61.5 Ų | 61.5 | 49% | 0.485 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.5 | -25.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | K505 | G501-K505 WeakPolarHBondContact O-CB 3.2Å; G501-K505 VanDerWaalsContact O-CG 3.24Å; G501-K505 WeakPolarHBondContact O-CG 3.21Å; G501-K505 PolarHBondContact O-N 3.43Å |
| 502 | W | 97.3 | Very high | 93.2 | Very high | 140 Ų | 140 | 61.3 Ų | 61.3 | 53% | 0.53 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69 | -35.4 | 173.1 | 68.8 | -104.6 | 0 | 0 | 0 | 112.6 | I196 P500 K505 F506 | I196-W502 HydrophobicContact CB-CH2 4.44Å; I196-W502 HydrophobicContact CD1-CH2 3.88Å; I196-W502 HydrophobicContact CD1-CZ3 4.33Å; I196-W502 HydrophobicContact CG1-CH2 3.87Å; I196-W502 HydrophobicContact CG1-CZ2 4.43Å; I196-W502 HydrophobicContact CG2-CH2 3.85Å; I196-W502 HydrophobicContact CG2-CZ2 3.59Å; P500-W502 HydrophobicContact CB-CG 4.46Å; P500-W502 HydrophobicContact CG-CD2 4.22Å; P500-W502 HydrophobicContact CG-CG 4.37Å; P500-W502 HydrophobicContact CG-CZ2 4Å; P500-W502 VanDerWaalsContact CG-NE1 3.31Å; P500-W502 PolarHBondContact O-N 3.35Å; W502-K505 PolarHBondContact O-N 2.81Å; W502-F506 WeakPolarHBondContact O-CB 3.11Å; W502-F506 PolarHBondContact O-N 3.36Å |
| 503 | A | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.3 | -38.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I196 L414 F499 P500 F506 G507 | I196-A503 HydrophobicContact CD1-CB 4.04Å; I196-A503 HydrophobicContact CG2-CB 4.26Å; L414-A503 HydrophobicContact CD1-CB 4.2Å; L414-A503 HydrophobicContact CD2-CB 4.43Å; L414-A503 WeakPolarHBondContact CD2-O 3.24Å; F499-A503 HydrophobicContact CB-CB 4.34Å; F499-A503 HydrophobicContact CD1-CB 4.07Å; P500-A503 HydrophobicContact CG-CB 3.83Å; P500-A503 WeakPolarHBondContact O-CA 3.34Å; P500-A503 WeakPolarHBondContact O-CB 3.28Å; P500-A503 PolarHBondContact O-N 2.72Å; A503-F506 WeakPolarHBondContact O-CB 3.45Å; A503-F506 PolarHBondContact O-N 2.85Å; A503-G507 PolarHBondContact O-N 2.89Å |
| 504 | V | 96.5 | Very high | 94.3 | Very high | 13 Ų | 13 | 58.3 Ų | 58.3 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 171.7 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | E485 F499 P500 F506 G507 W508 | E485-V504 HydrophobicContact CG-CG1 4.47Å; E485-V504 HydrophobicContact CG-CG2 4.03Å; F499-V504 HydrophobicContact CB-CG2 4.06Å; P500-V504 PolarHBondContact O-N 2.93Å; V504-F506 VanDerWaalsContact C-N 3.3Å; V504-F506 PolarHBondContact O-N 3.5Å; V504-G507 PolarHBondContact O-N 3.48Å; V504-W508 VanDerWaalsContact O-CD1 3.3Å; V504-W508 PolarHBondContact O-N 2.91Å |
| 505 | K | 96.6 | Very high | 94.8 | Very high | 161 Ų | 161 | 55.7 Ų | 55.7 | 70% | 0.7 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.2 | -40 | 174.2 | -74.4 | 172.4 | -176.7 | -178.5 | 0 | 112.3 | G501 W502 W508 L509 | G501-K505 WeakPolarHBondContact O-CB 3.2Å; G501-K505 VanDerWaalsContact O-CG 3.24Å; G501-K505 WeakPolarHBondContact O-CG 3.21Å; G501-K505 PolarHBondContact O-N 3.43Å; W502-K505 PolarHBondContact O-N 2.81Å; K505-W508 PolarHBondContact O-N 3.26Å; K505-L509 WeakPolarHBondContact O-CB 3.43Å; K505-L509 PolarHBondContact O-N 2.68Å |
| 506 | F | 95.6 | Very high | 95.2 | Very high | 90 Ų | 90 | 54.9 Ų | 54.9 | 40% | 0.395 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.3 | 179.5 | -97.8 | 0 | 0 | 0 | 111.9 | L414 W502 A503 V504 W508 L509 M510 | L414-F506 HydrophobicContact CD1-CD1 4.17Å; W502-F506 WeakPolarHBondContact O-CB 3.11Å; W502-F506 PolarHBondContact O-N 3.36Å; A503-F506 WeakPolarHBondContact O-CB 3.45Å; A503-F506 PolarHBondContact O-N 2.85Å; V504-F506 VanDerWaalsContact C-N 3.3Å; V504-F506 PolarHBondContact O-N 3.5Å; F506-W508 PolarHBondContact O-N 3.48Å; F506-L509 WeakPolarHBondContact O-CB 3.34Å; F506-L509 PolarHBondContact O-N 3.2Å; F506-L509 VanDerWaalsContact O-N 3.15Å; F506-M510 HydrophobicContact CD1-CG 4.3Å; F506-M510 HydrophobicContact CD1-SD 3.82Å; F506-M510 HydrophobicContact CE1-CG 3.94Å; F506-M510 HydrophobicContact CE1-SD 3.31Å; F506-M510 WeakPolarHBondContact CE1-SD 3.41Å; F506-M510 HydrophobicContact CZ-CG 4.16Å; F506-M510 HydrophobicContact CZ-SD 3.99Å; F506-M510 WeakPolarHBondContact O-CG 3.45Å; F506-M510 PolarHBondContact O-N 3.21Å |
| 507 | G | 95.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.8 | -46 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y418 A503 V504 L509 M510 A511 | Y418-G507 WeakPolarHBondContact CB-O 3.24Å; A503-G507 PolarHBondContact O-N 2.89Å; V504-G507 PolarHBondContact O-N 3.48Å; G507-L509 VanDerWaalsContact C-N 3.33Å; G507-L509 PolarHBondContact O-N 3.13Å; G507-M510 WeakPolarHBondContact O-CB 3.23Å; G507-M510 PolarHBondContact O-N 3.4Å; G507-A511 PolarHBondContact O-N 2.94Å |
| 508 | W | 94.5 | Very high | 95.6 | Very high | 109 Ų | 109 | 54 Ų | 54 | 41% | 0.413 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.2 | -35.5 | 174.4 | -79.6 | 110.1 | 0 | 0 | 0 | 113.3 | Y418 Y483 V504 K505 F506 A511 S512 | Y418-W508 HydrophobicContact CE1-CD2 4.19Å; Y418-W508 HydrophobicContact CE1-CG 4.21Å; Y418-W508 AromaticContact CE1-NE1 3.87Å; Y483-W508 HydrophobicContact CD2-CZ2 4.23Å; Y483-W508 HydrophobicContact CE1-CZ2 4.28Å; Y483-W508 HydrophobicContact CE2-CH2 4.38Å; Y483-W508 AromaticContact CE2-CZ2 3.65Å; Y483-W508 HydrophobicContact CE2-CZ2 3.65Å; Y483-W508 AromaticContact CZ-CZ2 3.68Å; Y483-W508 PolarHBondContact OH-NE1 3.41Å; V504-W508 VanDerWaalsContact O-CD1 3.3Å; V504-W508 PolarHBondContact O-N 2.91Å; K505-W508 PolarHBondContact O-N 3.26Å; F506-W508 PolarHBondContact O-N 3.48Å; W508-A511 PolarHBondContact O-N 3.44Å; W508-S512 WeakPolarHBondContact O-CB 3.16Å; W508-S512 PolarHBondContact O-N 2.86Å; W508-S512 PolarHBondContact O-OG 3.25Å |
| 509 | L | 95.1 | Very high | 95.7 | Very high | 116 Ų | 116 | 50.8 Ų | 50.8 | 61% | 0.607 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.4 | -42.3 | 173.3 | -179 | 65.8 | 0 | 0 | 0 | 111.3 | K505 F506 G507 S512 S513 | K505-L509 WeakPolarHBondContact O-CB 3.43Å; K505-L509 PolarHBondContact O-N 2.68Å; F506-L509 WeakPolarHBondContact O-CB 3.34Å; F506-L509 PolarHBondContact O-N 3.2Å; F506-L509 VanDerWaalsContact O-N 3.15Å; G507-L509 VanDerWaalsContact C-N 3.33Å; G507-L509 PolarHBondContact O-N 3.13Å; L509-S512 PolarHBondContact O-N 3.46Å; L509-S513 WeakPolarHBondContact O-CB 3.16Å; L509-S513 PolarHBondContact O-N 3.05Å |
| 510 | M | 94.2 | Very high | 95.7 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.7 | -50.1 | 174.2 | -69 | 175.1 | 59.8 | 0 | 0 | 111.5 | F113 F415 F506 G507 S512 S513 | F113-M510 HydrophobicContact CD1-CE 4.25Å; F113-M510 HydrophobicContact CE1-CE 4.39Å; F113-M510 HydrophobicContact CE2-CB 4.49Å; F113-M510 HydrophobicContact CG-CE 4.41Å; F415-M510 HydrophobicContact CB-CE 4.44Å; F415-M510 HydrophobicContact CD1-CE 3.69Å; F415-M510 HydrophobicContact CD2-CE 3.7Å; F415-M510 HydrophobicContact CD2-SD 4.26Å; F415-M510 HydrophobicContact CE1-CE 3.74Å; F415-M510 HydrophobicContact CE2-CE 3.75Å; F415-M510 HydrophobicContact CE2-SD 4.12Å; F415-M510 HydrophobicContact CG-CE 3.68Å; F415-M510 HydrophobicContact CZ-CE 3.77Å; F415-M510 HydrophobicContact CZ-SD 4.5Å; F506-M510 HydrophobicContact CD1-CG 4.3Å; F506-M510 HydrophobicContact CD1-SD 3.82Å; F506-M510 HydrophobicContact CE1-CG 3.94Å; F506-M510 HydrophobicContact CE1-SD 3.31Å; F506-M510 WeakPolarHBondContact CE1-SD 3.41Å; F506-M510 HydrophobicContact CZ-CG 4.16Å; F506-M510 HydrophobicContact CZ-SD 3.99Å; F506-M510 WeakPolarHBondContact O-CG 3.45Å; F506-M510 PolarHBondContact O-N 3.21Å; G507-M510 WeakPolarHBondContact O-CB 3.23Å; G507-M510 PolarHBondContact O-N 3.4Å; M510-S512 VanDerWaalsContact C-N 3.3Å; M510-S512 PolarHBondContact O-N 2.83Å; M510-S513 WeakPolarHBondContact O-CB 3.43Å; M510-S513 PolarHBondContact O-N 3.09Å; M510-S513 PolarHBondContact O-OG 3.5Å |
| 511 | A | 93.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y418 I423 G507 W508 S513 S514 I515 | Y418-A511 WeakPolarHBondContact O-CB 3.14Å; I423-A511 HydrophobicContact CD1-CB 3.94Å; I423-A511 HydrophobicContact CG1-CB 3.94Å; G507-A511 PolarHBondContact O-N 2.94Å; W508-A511 PolarHBondContact O-N 3.44Å; A511-S513 VanDerWaalsContact C-N 3.33Å; A511-S513 PolarHBondContact O-N 3.5Å; A511-S514 PolarHBondContact O-N 3.06Å; A511-I515 PolarHBondContact O-N 3.22Å |
| 512 | S | 93.7 | Very high | 95.8 | Very high | 33 Ų | 33 | 54 Ų | 54 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.8 | -35 | 178 | -66.9 | 0 | 0 | 0 | 0 | 112.7 | W508 L509 M510 S514 I515 F516 | W508-S512 WeakPolarHBondContact O-CB 3.16Å; W508-S512 PolarHBondContact O-N 2.86Å; W508-S512 PolarHBondContact O-OG 3.25Å; L509-S512 PolarHBondContact O-N 3.46Å; M510-S512 VanDerWaalsContact C-N 3.3Å; M510-S512 PolarHBondContact O-N 2.83Å; S512-S514 PolarHBondContact O-N 3.02Å; S512-I515 PolarHBondContact O-N 2.88Å; S512-F516 WeakPolarHBondContact O-CB 3.44Å; S512-F516 VanDerWaalsContact O-CD2 3.25Å; S512-F516 WeakPolarHBondContact O-CD2 3.11Å; S512-F516 PolarHBondContact O-N 3.5Å |
| 513 | S | 94.6 | Very high | 95.9 | Very high | 50 Ų | 50 | 52 Ų | 52 | 35% | 0.35 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.6 | -31.2 | -179.7 | 76.7 | 0 | 0 | 0 | 0 | 112.6 | L509 M510 A511 L517 | L509-S513 WeakPolarHBondContact O-CB 3.16Å; L509-S513 PolarHBondContact O-N 3.05Å; M510-S513 WeakPolarHBondContact O-CB 3.43Å; M510-S513 PolarHBondContact O-N 3.09Å; M510-S513 PolarHBondContact O-OG 3.5Å; A511-S513 VanDerWaalsContact C-N 3.33Å; A511-S513 PolarHBondContact O-N 3.5Å; S513-L517 VanDerWaalsContact O-CD1 3.28Å; S513-L517 WeakPolarHBondContact O-CD1 3.4Å; S513-L517 VanDerWaalsContact O-CG 3.27Å; S513-L517 WeakPolarHBondContact O-CG 3.26Å |
| 514 | S | 94.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -79.3 | -49.4 | 174 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | A106 V109 A511 S512 L517 | A106-S514 WeakPolarHBondContact CB-O 3.21Å; V109-S514 WeakPolarHBondContact CG1-OG 3.27Å; A511-S514 PolarHBondContact O-N 3.06Å; S512-S514 PolarHBondContact O-N 3.02Å; S514-L517 WeakPolarHBondContact O-CB 3.23Å; S514-L517 PolarHBondContact O-N 2.8Å |
| 515 | I | 93.6 | Very high | 95.9 | Very high | 41 Ų | 41 | 58 Ų | 58 | 21% | 0.21 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.2 | -45.2 | -173.9 | -69.8 | 171.8 | 0 | 0 | 0 | 112.1 | I423 I426 A511 S512 L517 I518 P519 | I423-I515 HydrophobicContact CB-CD1 4Å; I423-I515 HydrophobicContact CB-CG1 4.14Å; I423-I515 HydrophobicContact CD1-CD1 3.32Å; I423-I515 HydrophobicContact CD1-CG1 4.33Å; I423-I515 HydrophobicContact CG1-CD1 3.4Å; I423-I515 HydrophobicContact CG1-CG1 3.86Å; I423-I515 HydrophobicContact CG2-CD1 3.87Å; I423-I515 HydrophobicContact CG2-CG1 3.44Å; I423-I515 VanDerWaalsContact CG2-CG1 3.44Å; I426-I515 HydrophobicContact CD1-CD1 3.61Å; I426-I515 HydrophobicContact CD1-CG1 4.34Å; A511-I515 PolarHBondContact O-N 3.22Å; S512-I515 PolarHBondContact O-N 2.88Å; I515-L517 PolarHBondContact O-N 3.29Å; I515-L517 VanDerWaalsContact O-N 3.14Å; I515-I518 WeakPolarHBondContact O-CB 3.16Å; I515-I518 WeakPolarHBondContact O-CG1 3.4Å; I515-I518 PolarHBondContact O-N 2.87Å; I515-P519 WeakPolarHBondContact O-CD 3.07Å |
| 516 | F | 95.5 | Very high | 96 | Very high | 116 Ų | 116 | 51.4 Ų | 51.4 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.1 | -174.5 | -76.7 | -61.6 | 0 | 0 | 0 | 113.1 | S512 I518 P519 I520 | S512-F516 WeakPolarHBondContact O-CB 3.44Å; S512-F516 VanDerWaalsContact O-CD2 3.25Å; S512-F516 WeakPolarHBondContact O-CD2 3.11Å; S512-F516 PolarHBondContact O-N 3.5Å; F516-I518 PolarHBondContact O-N 3.26Å; F516-P519 HydrophobicContact CD1-CG 4.15Å; F516-P519 VanDerWaalsContact O-CD 3.22Å; F516-P519 WeakPolarHBondContact O-CD 3.49Å; F516-P519 WeakPolarHBondContact O-CG 3.46Å; F516-I520 HydrophobicContact CB-CD1 3.99Å; F516-I520 VanDerWaalsContact O-CB 3.23Å; F516-I520 WeakPolarHBondContact O-CB 3.32Å; F516-I520 WeakPolarHBondContact O-CD1 3.23Å; F516-I520 WeakPolarHBondContact O-CG1 3.33Å; F516-I520 PolarHBondContact O-N 3.06Å |
| 517 | L | 96.3 | Very high | 96 | Very high | 41 Ų | 41 | 53 Ų | 53 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.9 | -29 | 170.9 | -67.4 | 166.4 | 0 | 0 | 0 | 112 | V109 S513 S514 I515 V521 | V109-L517 HydrophobicContact CB-CD1 4.25Å; V109-L517 HydrophobicContact CG2-CD1 3.61Å; S513-L517 VanDerWaalsContact O-CD1 3.28Å; S513-L517 WeakPolarHBondContact O-CD1 3.4Å; S513-L517 VanDerWaalsContact O-CG 3.27Å; S513-L517 WeakPolarHBondContact O-CG 3.26Å; S514-L517 WeakPolarHBondContact O-CB 3.23Å; S514-L517 PolarHBondContact O-N 2.8Å; I515-L517 PolarHBondContact O-N 3.29Å; I515-L517 VanDerWaalsContact O-N 3.14Å; L517-V521 WeakPolarHBondContact O-CB 3.47Å; L517-V521 WeakPolarHBondContact O-CG2 3.31Å; L517-V521 PolarHBondContact O-N 3.33Å |
| 518 | I | 97.1 | Very high | 96.1 | Very high | 11 Ų | 11 | 61.3 Ų | 61.3 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.2 | -62.8 | 178.1 | -54.5 | 176.2 | 0 | 0 | 0 | 111.1 | V103 A106 L430 I515 F516 M522 | V103-I518 HydrophobicContact CG2-CD1 4.19Å; V103-I518 HydrophobicContact CG2-CG1 4.34Å; V103-I518 HydrophobicContact CG2-CG2 4.29Å; A106-I518 HydrophobicContact CB-CD1 4.24Å; A106-I518 HydrophobicContact CB-CG1 4.11Å; L430-I518 HydrophobicContact CD1-CD1 3.56Å; L430-I518 HydrophobicContact CD1-CG2 3.99Å; I515-I518 WeakPolarHBondContact O-CB 3.16Å; I515-I518 WeakPolarHBondContact O-CG1 3.4Å; I515-I518 PolarHBondContact O-N 2.87Å; F516-I518 PolarHBondContact O-N 3.26Å; I518-M522 WeakPolarHBondContact O-CB 3.02Å; I518-M522 PolarHBondContact O-N 2.93Å; I518-M522 VanDerWaalsContact O-N 3.09Å |
| 519 | P | 97.4 | Very high | 96.1 | Very high | 51 Ų | 51 | 57.4 Ų | 57.4 | 33% | 0.331 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.9 | -35.3 | 177 | 26.1 | -35 | 0 | 0 | 0 | 113.2 | I515 F516 M522 I523 | I515-P519 WeakPolarHBondContact O-CD 3.07Å; F516-P519 HydrophobicContact CD1-CG 4.15Å; F516-P519 VanDerWaalsContact O-CD 3.22Å; F516-P519 WeakPolarHBondContact O-CD 3.49Å; F516-P519 WeakPolarHBondContact O-CG 3.46Å; P519-M522 WeakPolarHBondContact O-CB 3.18Å; P519-M522 PolarHBondContact O-N 2.97Å; P519-I523 VanDerWaalsContact O-CG1 3.26Å; P519-I523 WeakPolarHBondContact O-CG1 3.3Å; P519-I523 PolarHBondContact O-N 3.1Å |
| 520 | I | 97.9 | Very high | 96.1 | Very high | 85 Ų | 85 | 56 Ų | 56 | 44% | 0.436 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.5 | -49.8 | 179.2 | -70.8 | 168.2 | 0 | 0 | 0 | 110.5 | F516 M522 I523 I524 | F516-I520 HydrophobicContact CB-CD1 3.99Å; F516-I520 VanDerWaalsContact O-CB 3.23Å; F516-I520 WeakPolarHBondContact O-CB 3.32Å; F516-I520 WeakPolarHBondContact O-CD1 3.23Å; F516-I520 WeakPolarHBondContact O-CG1 3.33Å; F516-I520 PolarHBondContact O-N 3.06Å; I520-M522 VanDerWaalsContact C-N 3.32Å; I520-M522 PolarHBondContact O-N 3.09Å; I520-I523 PolarHBondContact O-N 2.9Å; I520-I524 HydrophobicContact CG2-CD1 3.72Å; I520-I524 HydrophobicContact CG2-CG1 4.47Å; I520-I524 VanDerWaalsContact O-CG1 3.27Å; I520-I524 WeakPolarHBondContact O-CG1 3.34Å; I520-I524 PolarHBondContact O-N 3.34Å |
| 521 | V | 97.7 | Very high | 96.1 | Very high | 17 Ų | 17 | 57 Ų | 57 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 178.5 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | Q101 Y105 L517 I523 I524 K525 | Q101-V521 HydrophobicContact CB-CG1 4.14Å; Y105-V521 HydrophobicContact CD2-CG2 3.9Å; Y105-V521 HydrophobicContact CE2-CG2 4.2Å; L517-V521 WeakPolarHBondContact O-CB 3.47Å; L517-V521 WeakPolarHBondContact O-CG2 3.31Å; L517-V521 PolarHBondContact O-N 3.33Å; V521-I523 PolarHBondContact O-N 2.93Å; V521-I524 PolarHBondContact O-N 3.19Å; V521-K525 HydrophobicContact CG1-CG 4.18Å; V521-K525 WeakPolarHBondContact O-CB 3.45Å; V521-K525 VanDerWaalsContact O-CG 3.23Å; V521-K525 WeakPolarHBondContact O-CG 3.23Å; V521-K525 PolarHBondContact O-N 2.69Å |
| 522 | M | 98.1 | Very high | 96.2 | Very high | 47 Ų | 47 | 60.8 Ų | 60.8 | 23% | 0.232 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.8 | -50 | 174.6 | -175.5 | -174.9 | -66.8 | 0 | 0 | 111.5 | L99 F100 I518 P519 I520 K525 I526 | L99-M522 HydrophobicContact CD1-CG 3.6Å; L99-M522 HydrophobicContact CD1-SD 4.49Å; L99-M522 HydrophobicContact CG-CE 4.43Å; L99-M522 HydrophobicContact CG-CG 4.04Å; F100-M522 HydrophobicContact CD1-CE 3.95Å; F100-M522 HydrophobicContact CE1-CE 3.58Å; F100-M522 HydrophobicContact CE2-CE 4.42Å; F100-M522 HydrophobicContact CZ-CE 3.85Å; I518-M522 WeakPolarHBondContact O-CB 3.02Å; I518-M522 PolarHBondContact O-N 2.93Å; I518-M522 VanDerWaalsContact O-N 3.09Å; P519-M522 WeakPolarHBondContact O-CB 3.18Å; P519-M522 PolarHBondContact O-N 2.97Å; I520-M522 VanDerWaalsContact C-N 3.32Å; I520-M522 PolarHBondContact O-N 3.09Å; M522-K525 PolarHBondContact O-N 2.65Å; M522-I526 HydrophobicContact CG-CD1 4.03Å; M522-I526 VanDerWaalsContact O-CG1 3.29Å; M522-I526 WeakPolarHBondContact O-CG1 3.42Å; M522-I526 PolarHBondContact O-N 3.37Å |
| 523 | I | 98 | Very high | 96.3 | Very high | 99 Ų | 99 | 65.7 Ų | 65.7 | 51% | 0.508 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 177.7 | -67.9 | 166 | 0 | 0 | 0 | 110.4 | P519 I520 V521 K525 I526 L527 | P519-I523 VanDerWaalsContact O-CG1 3.26Å; P519-I523 WeakPolarHBondContact O-CG1 3.3Å; P519-I523 PolarHBondContact O-N 3.1Å; I520-I523 PolarHBondContact O-N 2.9Å; V521-I523 PolarHBondContact O-N 2.93Å; I523-K525 VanDerWaalsContact C-N 3.3Å; I523-K525 PolarHBondContact O-N 2.04Å; I523-I526 PolarHBondContact O-N 3.31Å; I523-L527 HydrophobicContact CG2-CD1 3.83Å; I523-L527 HydrophobicContact CG2-CG 4.24Å; I523-L527 WeakPolarHBondContact O-CB 3.08Å; I523-L527 VanDerWaalsContact O-CG 3.3Å; I523-L527 WeakPolarHBondContact O-CG 3.46Å; I523-L527 PolarHBondContact O-N 2.98Å |
| 524 | I | 97.9 | Very high | 96.3 | Very high | 77 Ų | 77 | 68.3 Ų | 68.3 | 40% | 0.395 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.7 | -43.6 | 178.9 | -70.2 | 168.5 | 0 | 0 | 0 | 111.1 | I520 V521 L527 K528 | I520-I524 HydrophobicContact CG2-CD1 3.72Å; I520-I524 HydrophobicContact CG2-CG1 4.47Å; I520-I524 VanDerWaalsContact O-CG1 3.27Å; I520-I524 WeakPolarHBondContact O-CG1 3.34Å; I520-I524 PolarHBondContact O-N 3.34Å; V521-I524 PolarHBondContact O-N 3.19Å; I524-L527 PolarHBondContact O-N 3.35Å; I524-K528 HydrophobicContact CG2-CD 4.08Å; I524-K528 WeakPolarHBondContact O-CB 3.45Å; I524-K528 WeakPolarHBondContact O-CG 3.44Å; I524-K528 PolarHBondContact O-N 2.98Å |
| 525 | K | 97.2 | Very high | 96.4 | Very high | 60 Ų | 60 | 73 Ų | 73 | 26% | 0.261 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.5 | -47.1 | 178.1 | -72.1 | -75.7 | -174 | 169.3 | 0 | 111.3 | V521 M522 I523 L527 K528 T529 L540 | V521-K525 HydrophobicContact CG1-CG 4.18Å; V521-K525 WeakPolarHBondContact O-CB 3.45Å; V521-K525 VanDerWaalsContact O-CG 3.23Å; V521-K525 WeakPolarHBondContact O-CG 3.23Å; V521-K525 PolarHBondContact O-N 2.69Å; M522-K525 PolarHBondContact O-N 2.65Å; I523-K525 VanDerWaalsContact C-N 3.3Å; I523-K525 PolarHBondContact O-N 2.04Å; K525-L527 VanDerWaalsContact C-N 3.31Å; K525-L527 PolarHBondContact O-N 3.49Å; K525-K528 PolarHBondContact O-N 2.88Å; K525-T529 PolarHBondContact O-N 2.93Å; K525-T529 PolarHBondContact O-OG1 3.41Å; K525-L540 HydrophobicContact CB-CD1 3.84Å; K525-L540 HydrophobicContact CB-CD2 3.96Å; K525-L540 HydrophobicContact CD-CD2 4.35Å |
| 526 | I | 97.5 | Very high | 96.5 | Very high | 24 Ų | 24 | 74.2 Ų | 74.2 | 12% | 0.123 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59 | -42.7 | 176.7 | -68.1 | 167.1 | 0 | 0 | 0 | 111 | L99 M522 I523 F533 R536 L540 | L99-I526 HydrophobicContact CD1-CD1 3.97Å; L99-I526 HydrophobicContact CD1-CG1 3.9Å; M522-I526 HydrophobicContact CG-CD1 4.03Å; M522-I526 VanDerWaalsContact O-CG1 3.29Å; M522-I526 WeakPolarHBondContact O-CG1 3.42Å; M522-I526 PolarHBondContact O-N 3.37Å; I523-I526 PolarHBondContact O-N 3.31Å; I526-F533 HydrophobicContact CG2-CD2 4.15Å; I526-F533 HydrophobicContact CG2-CE2 4.07Å; I526-R536 WeakPolarHBondContact O-CD 3.3Å; I526-R536 PolarHBondContact O-NH1 3.23Å; I526-L540 HydrophobicContact CB-CD1 4.5Å; I526-L540 HydrophobicContact CG1-CD1 3.87Å |
| 527 | L | 96.9 | Very high | 96.6 | Very high | 123 Ų | 123 | 70.9 Ų | 70.9 | 64% | 0.644 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.1 | -35.9 | 179.5 | -68.8 | 177 | 0 | 0 | 0 | 112.5 | I523 I524 K525 | I523-L527 HydrophobicContact CG2-CD1 3.83Å; I523-L527 HydrophobicContact CG2-CG 4.24Å; I523-L527 WeakPolarHBondContact O-CB 3.08Å; I523-L527 VanDerWaalsContact O-CG 3.3Å; I523-L527 WeakPolarHBondContact O-CG 3.46Å; I523-L527 PolarHBondContact O-N 2.98Å; I524-L527 PolarHBondContact O-N 3.35Å; K525-L527 VanDerWaalsContact C-N 3.31Å; K525-L527 PolarHBondContact O-N 3.49Å |
| 528 | K | 96.2 | Very high | 96.5 | Very high | 174 Ų | 174 | 75.4 Ų | 75.4 | 76% | 0.757 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -79.9 | -22.6 | 179.5 | -73.7 | -176.3 | 176.3 | -175.9 | 0 | 114.3 | I524 K525 | I524-K528 HydrophobicContact CG2-CD 4.08Å; I524-K528 WeakPolarHBondContact O-CB 3.45Å; I524-K528 WeakPolarHBondContact O-CG 3.44Å; I524-K528 PolarHBondContact O-N 2.98Å; K525-K528 PolarHBondContact O-N 2.88Å |
| 529 | T | 96.1 | Very high | 96.5 | Very high | 28 Ų | 28 | 79.6 Ų | 79.6 | 17% | 0.172 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -78.9 | 135 | 178.9 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | K525 R536 K539 | K525-T529 PolarHBondContact O-N 2.93Å; K525-T529 PolarHBondContact O-OG1 3.41Å; T529-R536 HydrophobicContact CG2-CB 4.11Å; T529-R536 HydrophobicContact CG2-CG 4.01Å; T529-R536 WeakPolarHBondContact O-CD 3.3Å; T529-R536 WeakPolarHBondContact O-CG 3.43Å; T529-R536 VanDerWaalsContact O-CZ 3.24Å; T529-R536 PolarHBondContact O-NE 3.22Å; T529-R536 VanDerWaalsContact O-NE 3.1Å; T529-R536 PolarHBondContact O-NH1 3.31Å; T529-K539 HydrophobicContact CG2-CB 4.19Å; T529-K539 HydrophobicContact CG2-CD 3.87Å |
| 530 | S | 94 | Very high | 96.4 | Very high | 85 Ų | 85 | 77.7 Ų | 77.7 | 59% | 0.594 | 39% | 0.392 | S | S | * | . | trans | -81.3 | 148 | 177.4 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | K539 | S530-K539 PolarHBondContact O-NZ 3.02Š| ||
| 531 | G | 95 | Very high | 96.4 | Very high | 33 Ų | 33 | 75 Ų | 75 | 34% | 0.34 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 119.3 | -171.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R536 | G531-R536 PolarHBondContact O-NE 3.25Å; G531-R536 PolarHBondContact O-NH2 3.02Å |
| 532 | T | 95 | Very high | 96.2 | Very high | 81 Ų | 81 | 78.8 Ų | 78.8 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | trans | -73 | 163.1 | 171.7 | 69.1 | 0 | 0 | 0 | 0 | 111.3 | L534 Q535 R536 | T532-L534 VanDerWaalsContact C-N 3.32Å; T532-L534 PolarHBondContact O-N 3.41Å; T532-Q535 WeakPolarHBondContact O-CB 3.23Å; T532-Q535 PolarHBondContact O-N 3.43Å; T532-Q535 VanDerWaalsContact OG1-CG 3.29Å; T532-Q535 WeakPolarHBondContact OG1-CG 3.45Å; T532-Q535 PolarHBondContact OG1-N 3.29Å; T532-R536 VanDerWaalsContact O-CG 3.24Å; T532-R536 WeakPolarHBondContact O-CG 3.19Å; T532-R536 PolarHBondContact O-N 3.4Å | ||
| 533 | F | 95.2 | Very high | 95.9 | Very high | 137 Ų | 137 | 77.5 Ų | 77.5 | 60% | 0.601 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -52 | -47.6 | -179.2 | -177.4 | -105.6 | 0 | 0 | 0 | 113 | I526 Q535 R536 I537 | I526-F533 HydrophobicContact CG2-CD2 4.15Å; I526-F533 HydrophobicContact CG2-CE2 4.07Å; F533-Q535 PolarHBondContact O-N 3.4Å; F533-R536 WeakPolarHBondContact O-CB 3.2Å; F533-R536 PolarHBondContact O-N 2.92Å; F533-I537 HydrophobicContact CD1-CD1 3.94Å; F533-I537 HydrophobicContact CE1-CD1 3.38Å; F533-I537 HydrophobicContact CE1-CG1 4.49Å; F533-I537 HydrophobicContact CE2-CD1 4.26Å; F533-I537 HydrophobicContact CZ-CD1 3.58Å; F533-I537 HydrophobicContact CZ-CG1 4.47Å; F533-I537 PolarHBondContact O-N 3.39Å; F533-I537 VanDerWaalsContact O-N 3.11Å |
| 534 | L | 95.1 | Very high | 95.5 | Very high | 105 Ų | 105 | 77.2 Ų | 77.2 | 55% | 0.55 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.3 | -38.4 | 178.3 | -174.9 | 63 | 0 | 0 | 0 | 112.6 | T532 R536 I537 K538 | T532-L534 VanDerWaalsContact C-N 3.32Å; T532-L534 PolarHBondContact O-N 3.41Å; L534-R536 VanDerWaalsContact C-N 3.33Å; L534-I537 PolarHBondContact O-N 3.05Å; L534-K538 WeakPolarHBondContact O-CG 3.43Å; L534-K538 PolarHBondContact O-N 3.07Å |
| 535 | Q | 96 | Very high | 94.7 | Very high | 98 Ų | 98 | 75.4 Ų | 75.4 | 46% | 0.458 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 175.6 | -73.3 | 171.6 | -12.4 | 0 | 0 | 111.5 | T532 F533 K538 K539 | T532-Q535 WeakPolarHBondContact O-CB 3.23Å; T532-Q535 PolarHBondContact O-N 3.43Å; T532-Q535 VanDerWaalsContact OG1-CG 3.29Å; T532-Q535 WeakPolarHBondContact OG1-CG 3.45Å; T532-Q535 PolarHBondContact OG1-N 3.29Å; F533-Q535 PolarHBondContact O-N 3.4Å; Q535-K538 PolarHBondContact O-N 3.3Å; Q535-K539 WeakPolarHBondContact O-CB 3.38Å; Q535-K539 VanDerWaalsContact O-CG 3.29Å; Q535-K539 WeakPolarHBondContact O-CG 3.5Å; Q535-K539 PolarHBondContact O-N 3.35Å |
| 536 | R | 96.9 | Very high | 93.1 | Very high | 66 Ų | 66 | 79 Ų | 79 | 25% | 0.249 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 177.4 | -65.8 | 165.2 | -175.2 | -141.6 | 7.4 | 111.3 | I526 T529 G531 T532 F533 L534 K539 L540 | I526-R536 WeakPolarHBondContact O-CD 3.3Å; I526-R536 PolarHBondContact O-NH1 3.23Å; T529-R536 HydrophobicContact CG2-CB 4.11Å; T529-R536 HydrophobicContact CG2-CG 4.01Å; T529-R536 WeakPolarHBondContact O-CD 3.3Å; T529-R536 WeakPolarHBondContact O-CG 3.43Å; T529-R536 VanDerWaalsContact O-CZ 3.24Å; T529-R536 PolarHBondContact O-NE 3.22Å; T529-R536 VanDerWaalsContact O-NE 3.1Å; T529-R536 PolarHBondContact O-NH1 3.31Å; G531-R536 PolarHBondContact O-NE 3.25Å; G531-R536 PolarHBondContact O-NH2 3.02Å; T532-R536 VanDerWaalsContact O-CG 3.24Å; T532-R536 WeakPolarHBondContact O-CG 3.19Å; T532-R536 PolarHBondContact O-N 3.4Å; F533-R536 WeakPolarHBondContact O-CB 3.2Å; F533-R536 PolarHBondContact O-N 2.92Å; L534-R536 VanDerWaalsContact C-N 3.33Å; R536-K539 PolarHBondContact O-N 3.03Å; R536-L540 WeakPolarHBondContact O-CB 3.31Å; R536-L540 VanDerWaalsContact O-CG 3.29Å; R536-L540 WeakPolarHBondContact O-CG 3.3Å; R536-L540 PolarHBondContact O-N 3.45Å |
| 537 | I | 96.4 | Very high | 90.8 | Very high | 47 Ų | 47 | 80.1 Ų | 80.1 | 24% | 0.241 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.1 | -50.6 | 176.4 | -68.4 | 175.2 | 0 | 0 | 0 | 110.4 | L99 F533 L534 K539 L540 C541 | L99-I537 HydrophobicContact CD2-CG2 4.3Å; F533-I537 HydrophobicContact CD1-CD1 3.94Å; F533-I537 HydrophobicContact CE1-CD1 3.38Å; F533-I537 HydrophobicContact CE1-CG1 4.49Å; F533-I537 HydrophobicContact CE2-CD1 4.26Å; F533-I537 HydrophobicContact CZ-CD1 3.58Å; F533-I537 HydrophobicContact CZ-CG1 4.47Å; F533-I537 PolarHBondContact O-N 3.39Å; F533-I537 VanDerWaalsContact O-N 3.11Å; L534-I537 PolarHBondContact O-N 3.05Å; I537-K539 PolarHBondContact O-N 3.39Å; I537-L540 PolarHBondContact O-N 3.38Å; I537-L540 VanDerWaalsContact O-N 3.14Å; I537-C541 PolarHBondContact O-N 3.05Å; I537-C541 PolarHBondContact O-SG 3.12Å; I537-C541 VanDerWaalsContact O-SG 3.37Å |
| 538 | K | 95.5 | Very high | 88.2 | Confident | 136 Ų | 136 | 81.1 Ų | 81.1 | 59% | 0.591 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -57.6 | -46.4 | 179.6 | -74.9 | -176.8 | 177.8 | -174.2 | 0 | 111.9 | L534 Q535 L540 C541 I542 | L534-K538 WeakPolarHBondContact O-CG 3.43Å; L534-K538 PolarHBondContact O-N 3.07Å; Q535-K538 PolarHBondContact O-N 3.3Å; K538-L540 VanDerWaalsContact C-N 3.32Å; K538-L540 PolarHBondContact O-N 3.07Å; K538-C541 PolarHBondContact O-N 3.35Å; K538-I542 WeakPolarHBondContact O-CG1 3.21Å; K538-I542 PolarHBondContact O-N 3.15Å |
| 539 | K | 95.6 | Very high | 85.3 | Confident | 98 Ų | 98 | 76.9 Ų | 76.9 | 43% | 0.426 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 176.4 | -75.7 | 177 | -179 | 179.5 | 0 | 112.3 | T529 S530 Q535 R536 I537 C541 I542 | T529-K539 HydrophobicContact CG2-CB 4.19Å; T529-K539 HydrophobicContact CG2-CD 3.87Å; S530-K539 PolarHBondContact O-NZ 3.02Å; Q535-K539 WeakPolarHBondContact O-CB 3.38Å; Q535-K539 VanDerWaalsContact O-CG 3.29Å; Q535-K539 WeakPolarHBondContact O-CG 3.5Å; Q535-K539 PolarHBondContact O-N 3.35Å; R536-K539 PolarHBondContact O-N 3.03Å; I537-K539 PolarHBondContact O-N 3.39Å; K539-C541 VanDerWaalsContact C-N 3.28Å; K539-C541 PolarHBondContact O-N 3.01Å; K539-I542 PolarHBondContact O-N 3.44Å |
| 540 | L | 96.7 | Very high | 82.2 | Confident | 11 Ų | 11 | 82.7 Ų | 82.7 | 6% | 0.058 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -76.8 | -11.7 | -178.8 | -69.5 | 169.6 | 0 | 0 | 0 | 113.9 | P98 L99 K525 I526 R536 I537 K538 | P98-L540 HydrophobicContact CB-CD2 3.9Å; P98-L540 WeakPolarHBondContact CD-O 3.35Å; P98-L540 VanDerWaalsContact N-O 3.15Å; L99-L540 HydrophobicContact CB-CB 3.81Å; L99-L540 HydrophobicContact CD1-CB 4.1Å; L99-L540 HydrophobicContact CD1-CD1 3.94Å; L99-L540 PolarHBondContact N-O 3.18Å; K525-L540 HydrophobicContact CB-CD1 3.84Å; K525-L540 HydrophobicContact CB-CD2 3.96Å; K525-L540 HydrophobicContact CD-CD2 4.35Å; I526-L540 HydrophobicContact CB-CD1 4.5Å; I526-L540 HydrophobicContact CG1-CD1 3.87Å; R536-L540 WeakPolarHBondContact O-CB 3.31Å; R536-L540 VanDerWaalsContact O-CG 3.29Å; R536-L540 WeakPolarHBondContact O-CG 3.3Å; R536-L540 PolarHBondContact O-N 3.45Å; I537-L540 PolarHBondContact O-N 3.38Å; I537-L540 VanDerWaalsContact O-N 3.14Å; K538-L540 VanDerWaalsContact C-N 3.32Å; K538-L540 PolarHBondContact O-N 3.07Å |
| 541 | C | 96.3 | Very high | 79 | Confident | 30 Ų | 30 | 83.8 Ų | 83.8 | 20% | 0.203 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -87.5 | -12 | 170.1 | -69 | 0 | 0 | 0 | 0 | 112.8 | I438 I537 K538 K539 | I438-C541 HydrophobicContact CG2-CB 3.71Å; I537-C541 PolarHBondContact O-N 3.05Å; I537-C541 PolarHBondContact O-SG 3.12Å; I537-C541 VanDerWaalsContact O-SG 3.37Å; K538-C541 PolarHBondContact O-N 3.35Å; K539-C541 VanDerWaalsContact C-N 3.28Å; K539-C541 PolarHBondContact O-N 3.01Å |
| 542 | I | 94.1 | Very high | 76 | Confident | 95 Ų | 95 | 87.2 Ų | 87.2 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -80.4 | 130.3 | 178.4 | -63.6 | 167.9 | 0 | 0 | 0 | 109.1 | P98 K538 K539 | P98-I542 WeakPolarHBondContact CD-O 3.45Å; K538-I542 WeakPolarHBondContact O-CG1 3.21Å; K538-I542 PolarHBondContact O-N 3.15Å; K539-I542 PolarHBondContact O-N 3.44Å |
| 543 | P | 92.9 | Very high | 73 | Confident | 21 Ų | 21 | 90.7 Ų | 90.7 | 14% | 0.136 | 47% | 0.468 | C | S | . | . | trans | -65.5 | 135.7 | 177.6 | -24.1 | 37.2 | 0 | 0 | 0 | 112.5 | N95 I96 Y439 R443 I545 | N95-P543 CarbonylContact O-C 3.55Å; N95-P543 WeakPolarHBondContact O-CA 2.99Å; I96-P543 VanDerWaalsContact O-CG 3.29Å; I96-P543 WeakPolarHBondContact O-CG 3.44Å; Y439-P543 HydrophobicContact CD2-CB 4.21Å; Y439-P543 HydrophobicContact CD2-CG 3.54Å; Y439-P543 HydrophobicContact CE2-CB 3.95Å; Y439-P543 HydrophobicContact CE2-CG 3.64Å; R443-P543 VanDerWaalsContact NH1-CG 3.33Å; P543-I545 HydrophobicContact CB-CD1 4.19Å; P543-I545 HydrophobicContact CB-CG1 4.17Å | ||
| 544 | I | 90 | Very high | 70 | Confident | 92 Ų | 92 | 87.6 Ų | 87.6 | 47% | 0.472 | 46% | 0.46 | S | S | . | . | trans | -111.9 | 80.8 | 174.7 | -50.9 | 172.8 | 0 | 0 | 0 | 107.8 | N95 P98 | N95-I544 HydrophobicContact CB-CB 4.41Å; N95-I544 VanDerWaalsContact CB-O 3.32Å; N95-I544 WeakPolarHBondContact CB-O 3.25Å; N95-I544 PolarHBondContact O-N 3.38Å; P98-I544 HydrophobicContact CG-CD1 3.67Å; P98-I544 HydrophobicContact CG-CG1 3.93Å | ||
| 545 | I | 80 | Confident | 66.8 | Low | 40 Ų | 40 | 88.6 Ų | 88.6 | 21% | 0.205 | 47% | 0.465 | C | S | . | . | trans | -106.2 | 102.6 | -178.6 | -53.9 | 173.4 | 0 | 0 | 0 | 108.4 | V85 I96 Y439 P543 N547 | V85-I545 HydrophobicContact CG1-CD1 4.25Å; I96-I545 HydrophobicContact CG2-CD1 4.08Å; I96-I545 HydrophobicContact CG2-CG1 4.39Å; Y439-I545 HydrophobicContact CE2-CD1 4.1Å; P543-I545 HydrophobicContact CB-CD1 4.19Å; P543-I545 HydrophobicContact CB-CG1 4.17Å; I545-N547 PolarHBondContact O-N 2.88Å | ||
| 546 | E | 64.4 | Low | 63.5 | Low | 136 Ų | 136 | 91.9 Ų | 91.9 | 64% | 0.636 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 101.3 | 171.2 | -67.9 | 177.1 | 172.8 | 0 | 0 | 109.3 | R88 | R88-E546 IonicContact NH2-OE2 3.51Å; R88-E546 PolarHBondContact NH2-OE2 3.1Å |
| 547 | N | 48.6 | Very low | 60.3 | Low | 46 Ų | 46 | 93.4 Ų | 93.4 | 25% | 0.246 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.9 | 166.2 | -84.4 | -35.1 | 0 | 0 | 0 | 108.8 | I545 G549 E550 | I545-N547 PolarHBondContact O-N 2.88Å; N547-G549 VanDerWaalsContact C-N 3.32Å; N547-G549 PolarHBondContact O-N 3.04Å; N547-E550 CarbonylContact O-C 3.26Å; N547-E550 PolarHBondContact O-N 2.87Å |
| 548 | N | 43.1 | Very low | 57 | Low | 145 Ų | 145 | 97.4 Ų | 97.4 | 78% | 0.775 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 19.2 | 62 | 159.3 | -68 | -10.9 | 0 | 0 | 0 | 117 | ||
| 549 | G | 35.3 | Very low | 53.9 | Low | 84 Ų | 84 | 97.2 Ų | 97.2 | 87% | 0.866 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.2 | -6.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | N547 | N547-G549 VanDerWaalsContact C-N 3.32Å; N547-G549 PolarHBondContact O-N 3.04Å |
| 550 | E | 29.8 | Very low | 50.8 | Low | 151 Ų | 151 | 100.6 Ų | 100.6 | 71% | 0.706 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.6 | 97.2 | 171.4 | -74.3 | -177.5 | 177.6 | 0 | 0 | 109.4 | N547 I552 | N547-E550 CarbonylContact O-C 3.26Å; N547-E550 PolarHBondContact O-N 2.87Å; E550-I552 PolarHBondContact O-N 3.02Å |
| 551 | T | 28.3 | Very low | 47.6 | Very low | 108 Ų | 108 | 102.7 Ų | 102.7 | 66% | 0.663 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -63.1 | 103.2 | 161.1 | -45.3 | 0 | 0 | 0 | 0 | 106.5 | E553 | T551-E553 HydrophobicContact CG2-CG 4.14Å; T551-E553 PolarHBondContact O-N 3.11Å |
| 552 | I | 31.9 | Very low | 44.3 | Very low | 104 Ų | 104 | 109.2 Ų | 109.2 | 53% | 0.533 | 61% | 0.611 | S | S | . | * | trans | -72.1 | 74.8 | 165.7 | -53.9 | 176.8 | 0 | 0 | 0 | 106.2 | E550 T554 | E550-I552 PolarHBondContact O-N 3.02Å; I552-T554 HydrophobicContact CG2-CG2 4.07Å; I552-T554 PolarHBondContact O-N 3.4Å | ||
| 553 | E | 30.9 | Very low | 41.1 | Very low | 155 Ų | 155 | 109.7 Ų | 109.7 | 72% | 0.724 | 62% | 0.623 | S | S | * | * | trans | -61.2 | 104.5 | 148.1 | -78.5 | -169.7 | 165.5 | 0 | 0 | 104.5 | T551 I555 | T551-E553 HydrophobicContact CG2-CG 4.14Å; T551-E553 PolarHBondContact O-N 3.11Å; E553-I555 PolarHBondContact O-N 3.19Å | ||
| 554 | T | 33.2 | Very low | 38 | Very low | 72 Ų | 72 | 116.8 Ų | 116.8 | 44% | 0.442 | 66% | 0.656 | S | S | . | * | trans | -65.8 | 94.5 | 174.5 | 1.4 | 0 | 0 | 0 | 0 | 105.4 | I552 E556 | I552-T554 HydrophobicContact CG2-CG2 4.07Å; I552-T554 PolarHBondContact O-N 3.4Å; T554-E556 PolarHBondContact O-N 3.14Å | ||
| 555 | I | 26.3 | Very low | 35.2 | Very low | 126 Ų | 126 | 119.8 Ų | 119.8 | 65% | 0.646 | 67% | 0.673 | S | S | * | * | trans | -66.5 | 80.8 | 169.4 | -58.2 | 171 | 0 | 0 | 0 | 106.3 | E553 N558 | E553-I555 PolarHBondContact O-N 3.19Å; I555-N558 HydrophobicContact CG2-CB 4.21Å | ||
| 556 | E | 28.3 | Very low | 32.9 | Very low | 166 Ų | 166 | 122.3 Ų | 122.3 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | trans | -104.1 | 17.1 | 163.6 | -95.6 | -175.9 | 174.5 | 0 | 0 | 111.4 | T554 | T554-E556 PolarHBondContact O-N 3.14Š| ||
| 557 | S | 29.4 | Very low | 31.3 | Very low | 99 Ų | 99 | 122.5 Ų | 122.5 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -99.8 | 3 | 175.3 | 55.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 558 | N | 27.2 | Very low | 30.5 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -111.3 | 12.8 | -178.5 | -81.2 | 5 | 0 | 0 | 0 | 116.4 | I555 | I555-N558 HydrophobicContact CG2-CB 4.21Š|
| 559 | V | 30.6 | Very low | 30.2 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -93.2 | 2.7 | 174.4 | -174.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 560 | I | 29.9 | Very low | 30.1 | Very low | 169 Ų | 169 | 127.8 Ų | 127.8 | 87% | 0.867 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -111.5 | 7.5 | 178.1 | -51.9 | -179.9 | 0 | 0 | 0 | 112.4 | ||
| 561 | G | 28.7 | Very low | 29.9 | Very low | 55 Ų | 55 | 127.5 Ų | 127.5 | 57% | 0.567 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -97.9 | -39 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 562 | N | 27 | Very low | 30.4 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -127.1 | 40.7 | -162.1 | -74.8 | 4.1 | 0 | 0 | 0 | 114.2 | ||
| 563 | S | 27.3 | Very low | 30.3 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -123.7 | 55.4 | 166.4 | 70 | 0 | 0 | 0 | 0 | 110.8 | ||
| 564 | M | 28 | Very low | 30.3 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -158.4 | 133.8 | 160.6 | -100.6 | 158.2 | -166.1 | 0 | 0 | 105.9 | ||
| 565 | D | 30.4 | Very low | 30.1 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | 89.8 | 58.9 | 173.8 | -47.1 | -20.5 | 0 | 0 | 0 | 117 | ||||
| 566 | A | 31.8 | Very low | 30.4 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | -143.5 | 74.8 | 141.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | D568 | A566-D568 PolarHBondContact O-N 2.77Š| ||
| 567 | V | 31.5 | Very low | 30.5 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | -79.4 | 100.4 | 165.5 | 176.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 568 | D | 30.9 | Very low | 30.6 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 136.7 | 168.7 | -78.2 | -38.9 | 0 | 0 | 0 | 110 | A566 V570 | A566-D568 PolarHBondContact O-N 2.77Å; D568-V570 PolarHBondContact O-N 2.9Å |
| 569 | P | 36.8 | Very low | 30.8 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 127.6 | 176 | 29.3 | -31.7 | 0 | 0 | 0 | 110.5 | ||
| 570 | V | 33.4 | Very low | 30.8 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 130.8 | 178.5 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | D568 | D568-V570 PolarHBondContact O-N 2.9Š|
| 571 | N | 26.8 | Very low | 30.9 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 78% | 0.781 | 83% | 0.827 | S | S | * | * | trans | 12 | 115.3 | 145.9 | -61.3 | -24.4 | 0 | 0 | 0 | 118.2 | ||||
| 572 | S | 38.4 | Very low | 31.1 | Very low | 198 Ų | 198 | 141.7 Ų | 141.7 | 100% | 1.385 | 85% | 0.851 | S | S | * | * | 172.8 | 0 | 93.9 | 44.6 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 572 of 572 residues in 125.9 ms
(Link to these results)