| 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 | 30.9 | Very low | 35 | Very low | 240 Ų | 240 | 150.5 Ų | 150.5 | 100% | 1.182 | 82% | 0.818 | S | S | * | * | 0 | 116.1 | 0 | -57.9 | -154 | -151.4 | 0 | 0 | 105.1 | |||||
| 2 | D | 30.2 | Very low | 36.5 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | cis | -115.6 | 173.1 | 22.9 | -76.1 | -49.2 | 0 | 0 | 0 | 114 | ||||
| 3 | L | 36.3 | Very low | 38 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | 88.6 | 63.4 | 173.6 | -65.4 | 155.1 | 0 | 0 | 0 | 116.8 | ||||
| 4 | L | 32.1 | Very low | 39.8 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 94% | 0.942 | 77% | 0.772 | S | S | * | * | -49.6 | 135.1 | 129.3 | -82.3 | 153 | 0 | 0 | 0 | 110.2 | |||||
| 5 | G | 28.7 | Very low | 41.3 | Very low | 63 Ų | 63 | 137.9 Ų | 137.9 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | trans | 117.7 | 92.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 6 | V | 33.3 | Very low | 43.2 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | 173.6 | 111.3 | 116.8 | 166.7 | 0 | 0 | 0 | 0 | 107.8 | S8 | V6-S8 PolarHBondContact O-N 3.4Š| |||
| 7 | R | 28.5 | Very low | 45.4 | Very low | 245 Ų | 245 | 130.8 Ų | 130.8 | 93% | 0.925 | 73% | 0.731 | S | S | * | * | trans | -56.5 | 122.5 | 161.4 | -72 | 172.7 | 166.3 | 174.7 | -4.8 | 108.7 | ||||
| 8 | S | 36 | Very low | 47.7 | Very low | 75 Ų | 75 | 126.4 Ų | 126.4 | 52% | 0.524 | 71% | 0.709 | S | S | . | * | trans | -154.7 | 82 | 166.1 | -80.9 | 0 | 0 | 0 | 0 | 110.9 | V6 C10 | V6-S8 PolarHBondContact O-N 3.4Å; S8-C10 VanDerWaalsContact C-N 3.33Å; S8-C10 PolarHBondContact O-N 3.18Å | ||
| 9 | T | 36.2 | Very low | 49.9 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 92% | 0.92 | 70% | 0.704 | S | S | * | * | trans | -87.1 | 19 | 179.8 | 39.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 10 | C | 45.2 | Very low | 51.9 | Low | 114 Ų | 114 | 122.6 Ų | 122.6 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -118.9 | -10 | -173.1 | -151.6 | 0 | 0 | 0 | 0 | 116.9 | S8 K12 | S8-C10 VanDerWaalsContact C-N 3.33Å; S8-C10 PolarHBondContact O-N 3.18Å; C10-K12 PolarHBondContact O-N 3.03Å |
| 11 | F | 47.7 | Very low | 53.9 | Low | 138 Ų | 138 | 117.6 Ų | 117.6 | 61% | 0.605 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 11.8 | -174.7 | -77.5 | -78.6 | 0 | 0 | 0 | 116.2 | ||
| 12 | K | 52.9 | Low | 56.7 | Low | 140 Ų | 140 | 110.1 Ų | 110.1 | 61% | 0.609 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 3.6 | -169.4 | -67.5 | -172.5 | 178.8 | -178.2 | 0 | 116 | C10 R17 | C10-K12 PolarHBondContact O-N 3.03Å; K12-R17 VanDerWaalsContact O-CZ 3.3Å; K12-R17 PolarHBondContact O-NE 3.45Å; K12-R17 VanDerWaalsContact O-NE 3.1Å; K12-R17 PolarHBondContact O-NH2 2.95Å |
| 13 | C | 56.1 | Low | 59.6 | Low | 111 Ų | 111 | 104.1 Ų | 104.1 | 75% | 0.75 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -130.7 | 135.1 | 177.3 | -73 | 0 | 0 | 0 | 0 | 112.8 | ||
| 14 | G | 62.5 | Low | 62.3 | Low | 44 Ų | 44 | 96.2 Ų | 96.2 | 45% | 0.454 | 53% | 0.534 | S | S | . | . | S | Bend | trans | 85.2 | -163.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | C16 R17 | G14-C16 PolarHBondContact O-N 3.42Å; G14-R17 PolarHBondContact O-N 3.14Å; G14-R17 VanDerWaalsContact O-N 3.1Å |
| 15 | P | 62.5 | Low | 65.1 | Low | 118 Ų | 118 | 89 Ų | 89 | 77% | 0.766 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18 | -169.9 | 19.4 | -30 | 0 | 0 | 0 | 114.7 | R17 K22 | P15-R17 PolarHBondContact O-N 3.19Å; P15-K22 PolarHBondContact O-NZ 3.43Å |
| 16 | C | 72.9 | Confident | 68 | Low | 90 Ų | 90 | 89.5 Ų | 89.5 | 61% | 0.608 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -4 | 177.1 | -57.3 | 0 | 0 | 0 | 0 | 114.4 | G14 | G14-C16 PolarHBondContact O-N 3.42Š|
| 17 | R | 79 | Confident | 70.8 | Confident | 65 Ų | 65 | 83.8 Ų | 83.8 | 25% | 0.245 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -62.1 | 132.2 | 175.4 | -76.9 | -173.4 | 178.8 | -146.9 | 0.9 | 111.1 | K12 G14 P15 M21 K22 D25 | K12-R17 VanDerWaalsContact O-CZ 3.3Å; K12-R17 PolarHBondContact O-NE 3.45Å; K12-R17 VanDerWaalsContact O-NE 3.1Å; K12-R17 PolarHBondContact O-NH2 2.95Å; G14-R17 PolarHBondContact O-N 3.14Å; G14-R17 VanDerWaalsContact O-N 3.1Å; P15-R17 PolarHBondContact O-N 3.19Å; R17-M21 HydrophobicContact CB-SD 4.43Å; R17-M21 HydrophobicContact CG-SD 4.13Å; R17-K22 HydrophobicContact CB-CG 4.04Å; R17-K22 WeakPolarHBondContact O-CE 3.28Å; R17-K22 PolarHBondContact O-NZ 2.88Å; R17-D25 IonicContact CZ-OD2 3.77Å; R17-D25 IonicContact NH1-OD1 2.79Å; R17-D25 IonicContact NH1-OD2 3.84Å; R17-D25 PolarHBondContact NH1-OD2 2.8Å |
| 18 | P | 86.8 | Confident | 73.7 | Confident | 52 Ų | 52 | 73.6 Ų | 73.6 | 34% | 0.338 | 41% | 0.411 | S | S | . | . | trans | -55.8 | 148.8 | 175.6 | -26.1 | 34.3 | 0 | 0 | 0 | 113 | W20 M21 K22 | P18-W20 VanDerWaalsContact CB-CD1 3.49Å; P18-W20 HydrophobicContact CB-CD2 4.48Å; P18-W20 HydrophobicContact CB-CG 4.27Å; P18-W20 HydrophobicContact CB-CZ2 4.48Å; P18-W20 HydrophobicContact CG-CZ2 4.43Å; P18-W20 PolarHBondContact O-N 3.27Å; P18-M21 HydrophobicContact CB-CB 4.45Å; P18-M21 WeakPolarHBondContact O-CB 3.44Å; P18-M21 PolarHBondContact O-N 3.04Å; P18-M21 VanDerWaalsContact O-N 3.08Å; P18-K22 PolarHBondContact O-N 2.96Å; P18-K22 VanDerWaalsContact O-N 3.12Å | ||
| 19 | K | 90.1 | Very high | 75.7 | Confident | 140 Ų | 140 | 74.1 Ų | 74.1 | 61% | 0.609 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -54.7 | -47.4 | -179 | -175.8 | 177.2 | 177.7 | -179.8 | 0 | 112.5 | M21 K22 M23 Y44 | K19-M21 VanDerWaalsContact C-N 3.25Å; K19-M21 PolarHBondContact O-N 3.09Å; K19-K22 PolarHBondContact O-N 3.27Å; K19-M23 HydrophobicContact CG-CG 4.48Å; K19-M23 WeakPolarHBondContact O-CG 3.26Å; K19-M23 PolarHBondContact O-N 3.09Å; K19-Y44 HydrophobicContact CD-CE2 4.09Å; K19-Y44 HydrophobicContact CG-CE2 4.36Å |
| 20 | W | 91.1 | Very high | 77.3 | Confident | 37 Ų | 37 | 68.5 Ų | 68.5 | 14% | 0.14 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.9 | -39.5 | 178 | 65.2 | -96.2 | 0 | 0 | 0 | 112.5 | P18 M23 V24 Y44 K51 R54 I55 Y58 | P18-W20 VanDerWaalsContact CB-CD1 3.49Å; P18-W20 HydrophobicContact CB-CD2 4.48Å; P18-W20 HydrophobicContact CB-CG 4.27Å; P18-W20 HydrophobicContact CB-CZ2 4.48Å; P18-W20 HydrophobicContact CG-CZ2 4.43Å; P18-W20 PolarHBondContact O-N 3.27Å; W20-M23 PolarHBondContact O-N 3.37Å; W20-V24 PolarHBondContact O-N 2.89Å; W20-Y44 HydrophobicContact CB-CE1 3.55Å; W20-K51 HydrophobicContact CB-CB 4.45Å; W20-R54 HydrophobicContact CD2-CB 4.42Å; W20-R54 HydrophobicContact CE3-CB 4.34Å; W20-R54 HydrophobicContact CH2-CB 4.13Å; W20-R54 HydrophobicContact CZ2-CB 4.2Å; W20-R54 HydrophobicContact CZ3-CB 4.2Å; W20-I55 HydrophobicContact CB-CD1 4.26Å; W20-I55 HydrophobicContact CB-CG1 4.13Å; W20-I55 HydrophobicContact CE3-CG1 3.99Å; W20-Y58 HydrophobicContact CH2-CG 4.48Å; W20-Y58 HydrophobicContact CZ3-CD1 4.15Å; W20-Y58 AromaticContact CZ3-CG 3.93Å; W20-Y58 HydrophobicContact CZ3-CG 3.93Å |
| 21 | M | 92.5 | Very high | 78.4 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 179.7 | -167.4 | -177.4 | -163.6 | 0 | 0 | 111.2 | R17 P18 K19 M23 V24 D25 Y58 | R17-M21 HydrophobicContact CB-SD 4.43Å; R17-M21 HydrophobicContact CG-SD 4.13Å; P18-M21 HydrophobicContact CB-CB 4.45Å; P18-M21 WeakPolarHBondContact O-CB 3.44Å; P18-M21 PolarHBondContact O-N 3.04Å; P18-M21 VanDerWaalsContact O-N 3.08Å; K19-M21 VanDerWaalsContact C-N 3.25Å; K19-M21 PolarHBondContact O-N 3.09Å; M21-M23 VanDerWaalsContact C-N 3.3Å; M21-M23 PolarHBondContact O-N 3.18Å; M21-V24 PolarHBondContact O-N 3.32Å; M21-D25 PolarHBondContact O-N 2.82Å; M21-Y58 HydrophobicContact CE-CD2 4.02Å; M21-Y58 HydrophobicContact CE-CE1 4.33Å; M21-Y58 HydrophobicContact CE-CE2 3.23Å; M21-Y58 VanDerWaalsContact CE-CZ 3.43Å; M21-Y58 WeakPolarHBondContact CE-OH 3.3Å; M21-Y58 HydrophobicContact CG-CD1 4.16Å; M21-Y58 HydrophobicContact CG-CE1 3.68Å; M21-Y58 HydrophobicContact CG-CE2 4.22Å |
| 22 | K | 90.1 | Very high | 79.1 | Confident | 83 Ų | 83 | 63 Ų | 63 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 173.7 | -67.9 | 174.9 | 179 | 162 | 0 | 111.8 | P15 R17 P18 K19 V24 D25 N26 | P15-K22 PolarHBondContact O-NZ 3.43Å; R17-K22 HydrophobicContact CB-CG 4.04Å; R17-K22 WeakPolarHBondContact O-CE 3.28Å; R17-K22 PolarHBondContact O-NZ 2.88Å; P18-K22 PolarHBondContact O-N 2.96Å; P18-K22 VanDerWaalsContact O-N 3.12Å; K19-K22 PolarHBondContact O-N 3.27Å; K22-V24 VanDerWaalsContact C-N 3.33Å; K22-V24 PolarHBondContact O-N 3.44Å; K22-D25 PolarHBondContact O-N 3.33Å; K22-N26 WeakPolarHBondContact O-CB 3.31Å; K22-N26 PolarHBondContact O-N 2.74Å; K22-N26 PolarHBondContact O-ND2 3.38Å; K22-N26 PolarHBondContact O-OD1 3.48Å |
| 23 | M | 90.9 | Very high | 79.7 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 15% | 0.148 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65 | -37.1 | 177.3 | -66.8 | -152.9 | 72.3 | 0 | 0 | 112.6 | K19 W20 M21 K40 L41 Y44 | K19-M23 HydrophobicContact CG-CG 4.48Å; K19-M23 WeakPolarHBondContact O-CG 3.26Å; K19-M23 PolarHBondContact O-N 3.09Å; W20-M23 PolarHBondContact O-N 3.37Å; M21-M23 VanDerWaalsContact C-N 3.3Å; M21-M23 PolarHBondContact O-N 3.18Å; M23-K40 VanDerWaalsContact CE-C 3.47Å; M23-K40 HydrophobicContact CE-CB 3.74Å; M23-K40 WeakPolarHBondContact CE-O 3.4Å; M23-L41 HydrophobicContact CB-CD1 3.95Å; M23-Y44 HydrophobicContact CE-CG 4.43Å; M23-Y44 WeakPolarHBondContact SD-CB 3.47Å; M23-Y44 HydrophobicContact SD-CD1 3.82Å; M23-Y44 HydrophobicContact SD-CD2 3.59Å; M23-Y44 VanDerWaalsContact SD-CD2 3.59Å; M23-Y44 HydrophobicContact SD-CE2 4.32Å; M23-Y44 HydrophobicContact SD-CG 3.29Å |
| 24 | V | 92.5 | Very high | 80.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.9 | -46.2 | 171.9 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | W20 M21 K22 N26 L27 Y28 L41 I55 Y58 L59 | W20-V24 PolarHBondContact O-N 2.89Å; M21-V24 PolarHBondContact O-N 3.32Å; K22-V24 VanDerWaalsContact C-N 3.33Å; K22-V24 PolarHBondContact O-N 3.44Å; V24-N26 PolarHBondContact O-N 3Å; V24-L27 VanDerWaalsContact O-CB 3.24Å; V24-L27 WeakPolarHBondContact O-CB 3.47Å; V24-L27 WeakPolarHBondContact O-CG 3.27Å; V24-L27 PolarHBondContact O-N 3.34Å; V24-Y28 HydrophobicContact CG1-CE2 4.24Å; V24-Y28 WeakPolarHBondContact O-CD2 3.31Å; V24-Y28 WeakPolarHBondContact O-CE2 3.08Å; V24-L41 HydrophobicContact CG2-CD1 4.16Å; V24-L41 HydrophobicContact CG2-CD2 4.43Å; V24-I55 HydrophobicContact CG2-CB 4.47Å; V24-I55 HydrophobicContact CG2-CG1 4.38Å; V24-I55 HydrophobicContact CG2-CG2 3.79Å; V24-Y58 HydrophobicContact CB-CD1 3.78Å; V24-Y58 HydrophobicContact CB-CE1 3.97Å; V24-Y58 HydrophobicContact CG1-CD1 3.59Å; V24-Y58 HydrophobicContact CG1-CE1 3.79Å; V24-Y58 HydrophobicContact CG2-CD1 4.22Å; V24-L59 HydrophobicContact CG1-CD2 3.64Å; V24-L59 HydrophobicContact CG1-CG 4.12Å |
| 25 | D | 91.3 | Very high | 81.2 | Confident | 29 Ų | 29 | 63.6 Ų | 63.6 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.8 | -33.2 | 179.4 | -70.9 | -29.4 | 0 | 0 | 0 | 112.3 | R17 M21 K22 L27 Y28 Y58 R62 | R17-D25 IonicContact CZ-OD2 3.77Å; R17-D25 IonicContact NH1-OD1 2.79Å; R17-D25 IonicContact NH1-OD2 3.84Å; R17-D25 PolarHBondContact NH1-OD2 2.8Å; M21-D25 PolarHBondContact O-N 2.82Å; K22-D25 PolarHBondContact O-N 3.33Å; D25-L27 PolarHBondContact O-N 2.85Å; D25-Y28 PolarHBondContact O-N 3.06Å; D25-Y28 VanDerWaalsContact O-N 3.16Å; D25-Y58 WeakPolarHBondContact OD1-CE1 3.39Å; D25-Y58 PolarHBondContact OD1-OH 3.41Å; D25-R62 IonicContact OD1-NH1 2.93Å |
| 26 | N | 91 | Very high | 82.3 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 40% | 0.396 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -65.2 | -20.3 | 176.9 | -72.1 | -12.1 | 0 | 0 | 0 | 113.7 | K22 V24 Y28 S29 N37 | K22-N26 WeakPolarHBondContact O-CB 3.31Å; K22-N26 PolarHBondContact O-N 2.74Å; K22-N26 PolarHBondContact O-ND2 3.38Å; K22-N26 PolarHBondContact O-OD1 3.48Å; V24-N26 PolarHBondContact O-N 3Å; N26-Y28 PolarHBondContact O-N 3.04Å; N26-S29 WeakPolarHBondContact CA-OG 3.45Å; N26-S29 PolarHBondContact O-N 3.37Å; N26-S29 PolarHBondContact O-OG 3.32Å; N26-N37 PolarHBondContact O-ND2 3.47Å |
| 27 | L | 90.5 | Very high | 83 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -60.5 | -29.9 | 174.2 | -63.6 | 177.2 | 0 | 0 | 0 | 111.7 | V24 D25 N37 L41 L59 I77 A81 | V24-L27 VanDerWaalsContact O-CB 3.24Å; V24-L27 WeakPolarHBondContact O-CB 3.47Å; V24-L27 WeakPolarHBondContact O-CG 3.27Å; V24-L27 PolarHBondContact O-N 3.34Å; D25-L27 PolarHBondContact O-N 2.85Å; L27-N37 HydrophobicContact CD2-CB 4.23Å; L27-L41 HydrophobicContact CD1-CD2 3.63Å; L27-L41 HydrophobicContact CD2-CB 4.34Å; L27-L41 HydrophobicContact CD2-CD2 4.17Å; L27-L41 HydrophobicContact CG-CD2 4.18Å; L27-L59 HydrophobicContact CD1-CD2 4.21Å; L27-I77 HydrophobicContact CB-CG2 3.84Å; L27-A81 HydrophobicContact CD1-CB 3.58Å |
| 28 | Y | 89.3 | Confident | 83.4 | Confident | 30 Ų | 30 | 56 Ų | 56 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -94 | -7.5 | -175.6 | -52.1 | -87.5 | 0 | 0 | 0 | 113.2 | V24 D25 N26 R62 N74 I77 S78 | V24-Y28 HydrophobicContact CG1-CE2 4.24Å; V24-Y28 WeakPolarHBondContact O-CD2 3.31Å; V24-Y28 WeakPolarHBondContact O-CE2 3.08Å; D25-Y28 PolarHBondContact O-N 3.06Å; D25-Y28 VanDerWaalsContact O-N 3.16Å; N26-Y28 PolarHBondContact O-N 3.04Å; Y28-R62 HydrophobicContact CE1-CG 4.23Å; Y28-R62 HydrophobicContact CE2-CG 3.89Å; Y28-R62 VanDerWaalsContact OH-CG 3.31Å; Y28-R62 WeakPolarHBondContact OH-CG 3.28Å; Y28-N74 HydrophobicContact CD1-CB 3.83Å; Y28-N74 HydrophobicContact CE1-CB 3.95Å; Y28-N74 WeakPolarHBondContact CE1-O 3.28Å; Y28-I77 HydrophobicContact CD1-CB 4.39Å; Y28-I77 HydrophobicContact CD1-CG2 4.11Å; Y28-I77 HydrophobicContact CE1-CB 4.3Å; Y28-I77 HydrophobicContact CE1-CG2 4.05Å; Y28-S78 WeakPolarHBondContact CE1-OG 3.47Å; Y28-S78 PolarHBondContact OH-OG 3.15Å |
| 29 | S | 78.7 | Confident | 83.5 | Confident | 86 Ų | 86 | 57.5 Ų | 57.5 | 60% | 0.601 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -98.1 | 24.3 | -173.4 | 69 | 0 | 0 | 0 | 0 | 114.1 | N26 | N26-S29 WeakPolarHBondContact CA-OG 3.45Å; N26-S29 PolarHBondContact O-N 3.37Å; N26-S29 PolarHBondContact O-OG 3.32Å |
| 30 | G | 70.3 | Confident | 83.6 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -144.9 | 178.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 31 | S | 68.1 | Low | 83.6 | Confident | 78 Ų | 78 | 53.8 Ų | 53.8 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | trans | -59.1 | 138.6 | 171.2 | 174.3 | 0 | 0 | 0 | 0 | 109.5 | Q33 D34 | S31-Q33 PolarHBondContact O-N 3.03Å; S31-D34 VanDerWaalsContact O-CB 3.31Å; S31-D34 WeakPolarHBondContact O-CB 3.43Å; S31-D34 PolarHBondContact O-N 3.1Å | ||
| 32 | P | 63 | Low | 83.5 | Confident | 58 Ų | 58 | 54 Ų | 54 | 38% | 0.377 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -12.9 | -178.7 | 24.6 | -32.2 | 0 | 0 | 0 | 113.3 | Q73 | P32-Q73 HydrophobicContact CB-CG 4.1Å; P32-Q73 HydrophobicContact CG-CG 4.39Å |
| 33 | Q | 64.9 | Low | 83.6 | Confident | 172 Ų | 172 | 55.5 Ų | 55.5 | 80% | 0.804 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -8.6 | 173.3 | -59.8 | -152.7 | 11.1 | 0 | 0 | 113.9 | S31 T35 | S31-Q33 PolarHBondContact O-N 3.03Å; Q33-T35 PolarHBondContact O-N 2.96Å; Q33-T35 VanDerWaalsContact O-N 3.1Å |
| 34 | D | 71.3 | Confident | 83.6 | Confident | 62 Ų | 62 | 54.9 Ų | 54.9 | 33% | 0.332 | 30% | 0.302 | S | S | . | . | trans | -73.7 | 106.2 | -177.5 | -169.6 | 3.6 | 0 | 0 | 0 | 111.4 | S31 N36 H38 | S31-D34 VanDerWaalsContact O-CB 3.31Å; S31-D34 WeakPolarHBondContact O-CB 3.43Å; S31-D34 PolarHBondContact O-N 3.1Å; D34-N36 VanDerWaalsContact C-N 3.29Å; D34-N36 WeakPolarHBondContact OD1-CB 3.34Å; D34-N36 PolarHBondContact OD1-N 3.46Å; D34-H38 PolarHBondContact O-ND1 3.36Å | ||
| 35 | T | 78.7 | Confident | 83.6 | Confident | 74 Ų | 74 | 54.9 Ų | 54.9 | 45% | 0.454 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -79.1 | -12.8 | 176.6 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | Q33 N37 H38 N39 | Q33-T35 PolarHBondContact O-N 2.96Å; Q33-T35 VanDerWaalsContact O-N 3.1Å; T35-N37 PolarHBondContact O-N 3.46Å; T35-H38 WeakPolarHBondContact O-CB 3.27Å; T35-H38 PolarHBondContact O-N 3.18Å; T35-N39 PolarHBondContact O-N 2.96Å; T35-N39 PolarHBondContact O-ND2 3.38Å |
| 36 | N | 85.2 | Confident | 83.5 | Confident | 77 Ų | 77 | 58 Ų | 58 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | -176.6 | -170 | 15.8 | 0 | 0 | 0 | 111.9 | D34 N39 K40 | D34-N36 VanDerWaalsContact C-N 3.29Å; D34-N36 WeakPolarHBondContact OD1-CB 3.34Å; D34-N36 PolarHBondContact OD1-N 3.46Å; N36-N39 PolarHBondContact O-N 3.05Å; N36-K40 PolarHBondContact ND2-NZ 3.4Å; N36-K40 VanDerWaalsContact O-CG 3.31Å; N36-K40 WeakPolarHBondContact O-CG 3.31Å; N36-K40 PolarHBondContact O-N 3.49Å; N36-K40 VanDerWaalsContact OD1-CE 3.29Å; N36-K40 WeakPolarHBondContact OD1-CE 3.46Å |
| 37 | N | 87.5 | Confident | 83.5 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 13% | 0.128 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.5 | -35.8 | 179 | -68.5 | -23.9 | 0 | 0 | 0 | 112.2 | N26 L27 T35 K40 L41 | N26-N37 PolarHBondContact O-ND2 3.47Å; L27-N37 HydrophobicContact CD2-CB 4.23Å; T35-N37 PolarHBondContact O-N 3.46Å; N37-K40 PolarHBondContact O-N 3.35Å; N37-L41 PolarHBondContact O-N 3.15Å |
| 38 | H | 87.1 | Confident | 83.5 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 6% | 0.056 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 172.1 | -67.7 | 83.8 | 0 | 0 | 0 | 110.9 | D34 T35 K40 L41 I42 K84 | D34-H38 PolarHBondContact O-ND1 3.36Å; T35-H38 WeakPolarHBondContact O-CB 3.27Å; T35-H38 PolarHBondContact O-N 3.18Å; H38-K40 VanDerWaalsContact C-N 3.33Å; H38-K40 PolarHBondContact O-N 3.28Å; H38-L41 PolarHBondContact O-N 3.38Å; H38-L41 VanDerWaalsContact O-N 3.17Å; H38-I42 VanDerWaalsContact O-CG1 3.26Å; H38-I42 WeakPolarHBondContact O-CG1 3.36Å; H38-I42 PolarHBondContact O-N 3.29Å; H38-K84 HydrophobicContact CB-CD 4.31Å |
| 39 | N | 89.5 | Confident | 83.4 | Confident | 84 Ų | 84 | 64.5 Ų | 64.5 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 179.9 | -66.3 | -18.1 | 0 | 0 | 0 | 112.1 | T35 N36 I42 H43 | T35-N39 PolarHBondContact O-N 2.96Å; T35-N39 PolarHBondContact O-ND2 3.38Å; N36-N39 PolarHBondContact O-N 3.05Å; N39-I42 PolarHBondContact O-N 3.15Å; N39-H43 WeakPolarHBondContact O-CB 3.47Å; N39-H43 PolarHBondContact O-N 3.35Å |
| 40 | K | 91.5 | Very high | 83.9 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 173.4 | -73.9 | 170.8 | -174.1 | 163.5 | 0 | 111.9 | M23 N36 N37 H38 Y44 | M23-K40 VanDerWaalsContact CE-C 3.47Å; M23-K40 HydrophobicContact CE-CB 3.74Å; M23-K40 WeakPolarHBondContact CE-O 3.4Å; N36-K40 PolarHBondContact ND2-NZ 3.4Å; N36-K40 VanDerWaalsContact O-CG 3.31Å; N36-K40 WeakPolarHBondContact O-CG 3.31Å; N36-K40 PolarHBondContact O-N 3.49Å; N36-K40 VanDerWaalsContact OD1-CE 3.29Å; N36-K40 WeakPolarHBondContact OD1-CE 3.46Å; N37-K40 PolarHBondContact O-N 3.35Å; H38-K40 VanDerWaalsContact C-N 3.33Å; H38-K40 PolarHBondContact O-N 3.28Å; K40-Y44 WeakPolarHBondContact O-CB 3.2Å; K40-Y44 PolarHBondContact O-N 3.09Å |
| 41 | L | 91.7 | Very high | 84.8 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.9 | -46 | 176.7 | -179.8 | 64.2 | 0 | 0 | 0 | 110.9 | M23 V24 L27 N37 H38 H43 Y44 C45 I55 L85 | M23-L41 HydrophobicContact CB-CD1 3.95Å; V24-L41 HydrophobicContact CG2-CD1 4.16Å; V24-L41 HydrophobicContact CG2-CD2 4.43Å; L27-L41 HydrophobicContact CD1-CD2 3.63Å; L27-L41 HydrophobicContact CD2-CB 4.34Å; L27-L41 HydrophobicContact CD2-CD2 4.17Å; L27-L41 HydrophobicContact CG-CD2 4.18Å; N37-L41 PolarHBondContact O-N 3.15Å; H38-L41 PolarHBondContact O-N 3.38Å; H38-L41 VanDerWaalsContact O-N 3.17Å; L41-H43 PolarHBondContact O-N 2.91Å; L41-Y44 WeakPolarHBondContact O-CB 3.3Å; L41-Y44 PolarHBondContact O-N 3.27Å; L41-C45 WeakPolarHBondContact O-CB 3.1Å; L41-C45 PolarHBondContact O-N 2.78Å; L41-C45 PolarHBondContact O-SG 2.74Å; L41-I55 HydrophobicContact CD1-CD1 4.39Å; L41-I55 HydrophobicContact CD1-CG2 4.44Å; L41-L85 HydrophobicContact CD2-CD1 4.27Å |
| 42 | I | 91.1 | Very high | 86 | Confident | 22 Ų | 22 | 62.3 Ų | 62.3 | 11% | 0.113 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57 | -50.9 | 176.8 | -68.5 | 164.1 | 0 | 0 | 0 | 110.4 | H38 N39 Y44 C45 L46 K84 L85 V88 | H38-I42 VanDerWaalsContact O-CG1 3.26Å; H38-I42 WeakPolarHBondContact O-CG1 3.36Å; H38-I42 PolarHBondContact O-N 3.29Å; N39-I42 PolarHBondContact O-N 3.15Å; I42-Y44 VanDerWaalsContact C-N 3.3Å; I42-Y44 PolarHBondContact O-N 3.09Å; I42-C45 WeakPolarHBondContact O-CB 3.17Å; I42-C45 PolarHBondContact O-N 3.46Å; I42-L46 HydrophobicContact CG2-CD1 4.11Å; I42-L46 HydrophobicContact CG2-CG 4.48Å; I42-L46 WeakPolarHBondContact O-CG 3.35Å; I42-L46 PolarHBondContact O-N 3.13Å; I42-K84 HydrophobicContact CD1-CB 4.02Å; I42-K84 HydrophobicContact CD1-CD 4.31Å; I42-L85 HydrophobicContact CG1-CD2 4.23Å; I42-V88 HydrophobicContact CG2-CB 4.17Å; I42-V88 HydrophobicContact CG2-CG1 3.63Å; I42-V88 HydrophobicContact CG2-CG2 4.36Å |
| 43 | H | 90.8 | Very high | 87.3 | Confident | 116 Ų | 116 | 62.4 Ų | 62.4 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.2 | -45.1 | 177.3 | -177.5 | -88.2 | 0 | 0 | 0 | 111.1 | N39 L41 C45 L46 H47 | N39-H43 WeakPolarHBondContact O-CB 3.47Å; N39-H43 PolarHBondContact O-N 3.35Å; L41-H43 PolarHBondContact O-N 2.91Å; H43-C45 PolarHBondContact O-N 3.33Å; H43-L46 PolarHBondContact O-N 3.35Å; H43-H47 AromaticContact CD2-NE2 3.84Å; H43-H47 AromaticContact CE1-CD2 3.25Å; H43-H47 PolarHBondContact CE1-CD2 3.42Å; H43-H47 AromaticContact CE1-NE2 3.24Å; H43-H47 PolarHBondContact CE1-NE2 3.2Å; H43-H47 AromaticContact ND1-CD2 3.57Å; H43-H47 AromaticContact ND1-NE2 3.98Å; H43-H47 AromaticContact NE2-CD2 3.53Å; H43-H47 AromaticContact NE2-NE2 3.11Å; H43-H47 PolarHBondContact NE2-NE2 3.05Å; H43-H47 VanDerWaalsContact NE2-NE2 3.11Å; H43-H47 PolarHBondContact O-CD2 3.42Å; H43-H47 PolarHBondContact O-N 3Å |
| 44 | Y | 92.5 | Very high | 88.6 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 176.7 | 177.9 | -103.5 | 0 | 0 | 0 | 113.3 | K19 W20 M23 K40 L41 I42 H47 Q48 I55 | K19-Y44 HydrophobicContact CD-CE2 4.09Å; K19-Y44 HydrophobicContact CG-CE2 4.36Å; W20-Y44 HydrophobicContact CB-CE1 3.55Å; M23-Y44 HydrophobicContact CE-CG 4.43Å; M23-Y44 WeakPolarHBondContact SD-CB 3.47Å; M23-Y44 HydrophobicContact SD-CD1 3.82Å; M23-Y44 HydrophobicContact SD-CD2 3.59Å; M23-Y44 VanDerWaalsContact SD-CD2 3.59Å; M23-Y44 HydrophobicContact SD-CE2 4.32Å; M23-Y44 HydrophobicContact SD-CG 3.29Å; K40-Y44 WeakPolarHBondContact O-CB 3.2Å; K40-Y44 PolarHBondContact O-N 3.09Å; L41-Y44 WeakPolarHBondContact O-CB 3.3Å; L41-Y44 PolarHBondContact O-N 3.27Å; I42-Y44 VanDerWaalsContact C-N 3.3Å; I42-Y44 PolarHBondContact O-N 3.09Å; Y44-H47 PolarHBondContact O-N 3.45Å; Y44-Q48 HydrophobicContact CE2-CG 4.16Å; Y44-Q48 VanDerWaalsContact CE2-OE1 3.24Å; Y44-Q48 PolarHBondContact O-N 3.17Å; Y44-Q48 PolarHBondContact OH-OE1 2.87Å; Y44-I55 HydrophobicContact CD1-CD1 4.14Å; Y44-I55 HydrophobicContact CE1-CD1 4.03Å |
| 45 | C | 91.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 178 | -75.2 | 0 | 0 | 0 | 0 | 112.7 | L41 I42 H43 H47 Q48 L52 I55 L85 | L41-C45 WeakPolarHBondContact O-CB 3.1Å; L41-C45 PolarHBondContact O-N 2.78Å; L41-C45 PolarHBondContact O-SG 2.74Å; I42-C45 WeakPolarHBondContact O-CB 3.17Å; I42-C45 PolarHBondContact O-N 3.46Å; H43-C45 PolarHBondContact O-N 3.33Å; C45-H47 VanDerWaalsContact C-N 3.29Å; C45-H47 PolarHBondContact O-N 3.11Å; C45-Q48 CarbonylContact O-C 3.53Å; C45-Q48 PolarHBondContact O-N 3.43Å; C45-L52 HydrophobicContact CB-CD2 3.66Å; C45-I55 VanDerWaalsContact SG-CD1 3.51Å; C45-L85 HydrophobicContact CB-CD2 3.88Å |
| 46 | L | 89.5 | Confident | 90.4 | Very high | 95 Ų | 95 | 54.2 Ų | 54.2 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.5 | -33.3 | 176.1 | -73.6 | 174.4 | 0 | 0 | 0 | 112.7 | I42 H43 V88 | I42-L46 HydrophobicContact CG2-CD1 4.11Å; I42-L46 HydrophobicContact CG2-CG 4.48Å; I42-L46 WeakPolarHBondContact O-CG 3.35Å; I42-L46 PolarHBondContact O-N 3.13Å; H43-L46 PolarHBondContact O-N 3.35Å; L46-V88 HydrophobicContact CD1-CG1 3.92Å; L46-V88 HydrophobicContact CD2-CG1 4.05Å; L46-V88 HydrophobicContact CG-CG1 4.24Å |
| 47 | H | 91 | Very high | 90.8 | Very high | 131 Ų | 131 | 55.9 Ų | 55.9 | 61% | 0.606 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -87.4 | -20.6 | 178 | -75.6 | -75.2 | 0 | 0 | 0 | 114.1 | H43 Y44 C45 | H43-H47 AromaticContact CD2-NE2 3.84Å; H43-H47 AromaticContact CE1-CD2 3.25Å; H43-H47 PolarHBondContact CE1-CD2 3.42Å; H43-H47 AromaticContact CE1-NE2 3.24Å; H43-H47 PolarHBondContact CE1-NE2 3.2Å; H43-H47 AromaticContact ND1-CD2 3.57Å; H43-H47 AromaticContact ND1-NE2 3.98Å; H43-H47 AromaticContact NE2-CD2 3.53Å; H43-H47 AromaticContact NE2-NE2 3.11Å; H43-H47 PolarHBondContact NE2-NE2 3.05Å; H43-H47 VanDerWaalsContact NE2-NE2 3.11Å; H43-H47 PolarHBondContact O-CD2 3.42Å; H43-H47 PolarHBondContact O-N 3Å; Y44-H47 PolarHBondContact O-N 3.45Å; C45-H47 VanDerWaalsContact C-N 3.29Å; C45-H47 PolarHBondContact O-N 3.11Å |
| 48 | Q | 89.8 | Confident | 91.2 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | trans | -132.4 | 67.4 | -177.9 | -62.5 | -161.8 | -5.7 | 0 | 0 | 111.8 | Y44 C45 D50 K51 | Y44-Q48 HydrophobicContact CE2-CG 4.16Å; Y44-Q48 VanDerWaalsContact CE2-OE1 3.24Å; Y44-Q48 PolarHBondContact O-N 3.17Å; Y44-Q48 PolarHBondContact OH-OE1 2.87Å; C45-Q48 CarbonylContact O-C 3.53Å; C45-Q48 PolarHBondContact O-N 3.43Å; Q48-D50 PolarHBondContact O-N 3.44Å; Q48-K51 HydrophobicContact CB-CG 4.08Å; Q48-K51 PolarHBondContact O-N 2.9Å; Q48-K51 VanDerWaalsContact O-N 3.08Å | ||
| 49 | P | 87.7 | Confident | 91.5 | Very high | 47 Ų | 47 | 55 Ų | 55 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -63.7 | -25.3 | -176.6 | 24 | -33.4 | 0 | 0 | 0 | 113.4 | K51 L52 H92 | P49-K51 PolarHBondContact O-N 3.49Å; P49-K51 VanDerWaalsContact O-N 3.13Å; P49-L52 HydrophobicContact CB-CD1 4.05Å; P49-L52 VanDerWaalsContact O-CB 3.3Å; P49-L52 WeakPolarHBondContact O-CB 3.37Å; P49-L52 PolarHBondContact O-N 3.44Å; P49-L52 VanDerWaalsContact O-N 3.07Å; P49-H92 VanDerWaalsContact CB-CE1 3.48Å; P49-H92 WeakPolarHBondContact CB-CE1 3.45Å; P49-H92 WeakPolarHBondContact CB-NE2 3.34Å |
| 50 | D | 88.9 | Confident | 91.8 | Very high | 101 Ų | 101 | 53.3 Ų | 53.3 | 54% | 0.54 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -63.6 | -15.6 | 175.8 | 71.8 | -56.6 | 0 | 0 | 0 | 113.5 | Q48 | Q48-D50 PolarHBondContact O-N 3.44Š|
| 51 | K | 90.6 | Very high | 92 | Very high | 47 Ų | 47 | 52.1 Ų | 52.1 | 20% | 0.204 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -94.4 | -11.7 | 175.9 | -54.9 | -52.2 | -177.8 | -138.9 | 0 | 113.6 | W20 Q48 P49 D53 R54 I55 | W20-K51 HydrophobicContact CB-CB 4.45Å; Q48-K51 HydrophobicContact CB-CG 4.08Å; Q48-K51 PolarHBondContact O-N 2.9Å; Q48-K51 VanDerWaalsContact O-N 3.08Å; P49-K51 PolarHBondContact O-N 3.49Å; P49-K51 VanDerWaalsContact O-N 3.13Å; K51-D53 VanDerWaalsContact C-N 3.31Å; K51-D53 PolarHBondContact O-N 3.35Å; K51-R54 PolarHBondContact O-N 3.02Å; K51-I55 HydrophobicContact CB-CD1 4.14Å; K51-I55 WeakPolarHBondContact O-CG1 3.35Å; K51-I55 PolarHBondContact O-N 3Å |
| 52 | L | 91.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.9 | -44.1 | -174.7 | -78.8 | 169.1 | 0 | 0 | 0 | 112.4 | C45 P49 R54 I55 A56 C89 H92 L96 | C45-L52 HydrophobicContact CB-CD2 3.66Å; P49-L52 HydrophobicContact CB-CD1 4.05Å; P49-L52 VanDerWaalsContact O-CB 3.3Å; P49-L52 WeakPolarHBondContact O-CB 3.37Å; P49-L52 PolarHBondContact O-N 3.44Å; P49-L52 VanDerWaalsContact O-N 3.07Å; L52-R54 VanDerWaalsContact C-N 3.31Å; L52-R54 PolarHBondContact O-N 3.08Å; L52-I55 PolarHBondContact O-N 3.4Å; L52-A56 VanDerWaalsContact O-CB 3.3Å; L52-A56 WeakPolarHBondContact O-CB 3.43Å; L52-A56 PolarHBondContact O-N 3.18Å; L52-C89 HydrophobicContact CD1-CB 4.37Å; L52-H92 HydrophobicContact CD1-CB 3.36Å; L52-L96 HydrophobicContact CD2-CD1 4.28Å; L52-L96 HydrophobicContact CD2-CD2 4.16Å; L52-L96 HydrophobicContact CD2-CG 4.47Å |
| 53 | D | 90 | Very high | 92.3 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 33% | 0.326 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.5 | -44 | 176.5 | 178.8 | 60.5 | 0 | 0 | 0 | 112.5 | K51 K57 V95 | K51-D53 VanDerWaalsContact C-N 3.31Å; K51-D53 PolarHBondContact O-N 3.35Å; D53-K57 WeakPolarHBondContact O-CB 3.37Å; D53-K57 VanDerWaalsContact O-CG 3.28Å; D53-K57 WeakPolarHBondContact O-CG 3.45Å; D53-K57 PolarHBondContact O-N 3.23Å; D53-K57 WeakPolarHBondContact OD1-CE 3.3Å; D53-K57 IonicContact OD1-NZ 2.71Å; D53-K57 PolarHBondContact OD1-NZ 3.28Å; D53-K57 WeakPolarHBondContact OD2-CE 3.43Å; D53-K57 IonicContact OD2-NZ 3.63Å; D53-K57 PolarHBondContact OD2-NZ 3.32Å; D53-V95 HydrophobicContact CB-CG1 3.5Å; D53-V95 VanDerWaalsContact CB-CG1 3.5Å |
| 54 | R | 93 | Very high | 92.4 | Very high | 135 Ų | 135 | 50.3 Ų | 50.3 | 51% | 0.509 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.5 | -38.5 | 179.7 | -62.6 | -176.4 | -175.5 | -174 | 0.8 | 111.8 | W20 K51 L52 Y58 | W20-R54 HydrophobicContact CD2-CB 4.42Å; W20-R54 HydrophobicContact CE3-CB 4.34Å; W20-R54 HydrophobicContact CH2-CB 4.13Å; W20-R54 HydrophobicContact CZ2-CB 4.2Å; W20-R54 HydrophobicContact CZ3-CB 4.2Å; K51-R54 PolarHBondContact O-N 3.02Å; L52-R54 VanDerWaalsContact C-N 3.31Å; L52-R54 PolarHBondContact O-N 3.08Å; R54-Y58 VanDerWaalsContact O-CB 3.23Å; R54-Y58 WeakPolarHBondContact O-CB 3.28Å; R54-Y58 PolarHBondContact O-N 3.29Å |
| 55 | I | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64 | -47.9 | 176.7 | -69.8 | 168.9 | 0 | 0 | 0 | 109.9 | W20 V24 L41 Y44 C45 K51 L52 Y58 L59 L85 | W20-I55 HydrophobicContact CB-CD1 4.26Å; W20-I55 HydrophobicContact CB-CG1 4.13Å; W20-I55 HydrophobicContact CE3-CG1 3.99Å; V24-I55 HydrophobicContact CG2-CB 4.47Å; V24-I55 HydrophobicContact CG2-CG1 4.38Å; V24-I55 HydrophobicContact CG2-CG2 3.79Å; L41-I55 HydrophobicContact CD1-CD1 4.39Å; L41-I55 HydrophobicContact CD1-CG2 4.44Å; Y44-I55 HydrophobicContact CD1-CD1 4.14Å; Y44-I55 HydrophobicContact CE1-CD1 4.03Å; C45-I55 VanDerWaalsContact SG-CD1 3.51Å; K51-I55 HydrophobicContact CB-CD1 4.14Å; K51-I55 WeakPolarHBondContact O-CG1 3.35Å; K51-I55 PolarHBondContact O-N 3Å; L52-I55 PolarHBondContact O-N 3.4Å; I55-Y58 PolarHBondContact O-N 3.22Å; I55-L59 HydrophobicContact CG2-CD1 4.2Å; I55-L59 WeakPolarHBondContact O-CG 3.33Å; I55-L59 PolarHBondContact O-N 2.93Å; I55-L85 HydrophobicContact CG2-CD1 4.21Å |
| 56 | A | 93.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L52 Y58 L59 H60 L96 S99 | L52-A56 VanDerWaalsContact O-CB 3.3Å; L52-A56 WeakPolarHBondContact O-CB 3.43Å; L52-A56 PolarHBondContact O-N 3.18Å; A56-Y58 VanDerWaalsContact C-N 3.26Å; A56-Y58 PolarHBondContact O-N 3.37Å; A56-L59 PolarHBondContact O-N 3.49Å; A56-H60 PolarHBondContact O-N 3.02Å; A56-L96 HydrophobicContact CB-CD2 3.99Å; A56-S99 WeakPolarHBondContact CB-OG 3.45Å |
| 57 | K | 94.2 | Very high | 92.7 | Very high | 112 Ų | 112 | 49.7 Ų | 49.7 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.7 | -34.8 | 174.8 | -74.5 | 170.3 | 179.1 | 163.2 | 0 | 112.8 | D53 L61 | D53-K57 WeakPolarHBondContact O-CB 3.37Å; D53-K57 VanDerWaalsContact O-CG 3.28Å; D53-K57 WeakPolarHBondContact O-CG 3.45Å; D53-K57 PolarHBondContact O-N 3.23Å; D53-K57 WeakPolarHBondContact OD1-CE 3.3Å; D53-K57 IonicContact OD1-NZ 2.71Å; D53-K57 PolarHBondContact OD1-NZ 3.28Å; D53-K57 WeakPolarHBondContact OD2-CE 3.43Å; D53-K57 IonicContact OD2-NZ 3.63Å; D53-K57 PolarHBondContact OD2-NZ 3.32Å; K57-L61 WeakPolarHBondContact O-CB 3.35Å; K57-L61 PolarHBondContact O-N 3.26Å |
| 58 | Y | 95 | Very high | 92.6 | Very high | 19 Ų | 19 | 48 Ų | 48 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76.3 | -37.9 | 178.3 | -174.5 | -116.7 | 0 | 0 | 0 | 112.7 | W20 M21 V24 D25 R54 I55 A56 H60 L61 R62 | W20-Y58 HydrophobicContact CH2-CG 4.48Å; W20-Y58 HydrophobicContact CZ3-CD1 4.15Å; W20-Y58 AromaticContact CZ3-CG 3.93Å; W20-Y58 HydrophobicContact CZ3-CG 3.93Å; M21-Y58 HydrophobicContact CE-CD2 4.02Å; M21-Y58 HydrophobicContact CE-CE1 4.33Å; M21-Y58 HydrophobicContact CE-CE2 3.23Å; M21-Y58 VanDerWaalsContact CE-CZ 3.43Å; M21-Y58 WeakPolarHBondContact CE-OH 3.3Å; M21-Y58 HydrophobicContact CG-CD1 4.16Å; M21-Y58 HydrophobicContact CG-CE1 3.68Å; M21-Y58 HydrophobicContact CG-CE2 4.22Å; V24-Y58 HydrophobicContact CB-CD1 3.78Å; V24-Y58 HydrophobicContact CB-CE1 3.97Å; V24-Y58 HydrophobicContact CG1-CD1 3.59Å; V24-Y58 HydrophobicContact CG1-CE1 3.79Å; V24-Y58 HydrophobicContact CG2-CD1 4.22Å; D25-Y58 WeakPolarHBondContact OD1-CE1 3.39Å; D25-Y58 PolarHBondContact OD1-OH 3.41Å; R54-Y58 VanDerWaalsContact O-CB 3.23Å; R54-Y58 WeakPolarHBondContact O-CB 3.28Å; R54-Y58 PolarHBondContact O-N 3.29Å; I55-Y58 PolarHBondContact O-N 3.22Å; A56-Y58 VanDerWaalsContact C-N 3.26Å; A56-Y58 PolarHBondContact O-N 3.37Å; Y58-H60 VanDerWaalsContact C-N 3.32Å; Y58-L61 HydrophobicContact CD2-CD2 4.27Å; Y58-L61 PolarHBondContact O-N 3.01Å; Y58-R62 VanDerWaalsContact O-CB 3.28Å; Y58-R62 WeakPolarHBondContact O-CB 3.18Å; Y58-R62 PolarHBondContact O-N 3.01Å |
| 59 | L | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 170.1 | -78 | 170.6 | 0 | 0 | 0 | 110.9 | V24 L27 I55 A56 R62 L63 A81 I82 L85 M103 | V24-L59 HydrophobicContact CG1-CD2 3.64Å; V24-L59 HydrophobicContact CG1-CG 4.12Å; L27-L59 HydrophobicContact CD1-CD2 4.21Å; I55-L59 HydrophobicContact CG2-CD1 4.2Å; I55-L59 WeakPolarHBondContact O-CG 3.33Å; I55-L59 PolarHBondContact O-N 2.93Å; A56-L59 PolarHBondContact O-N 3.49Å; L59-R62 PolarHBondContact O-N 3.23Å; L59-L63 WeakPolarHBondContact O-CB 3.34Å; L59-L63 PolarHBondContact O-N 3.3Å; L59-A81 HydrophobicContact CD2-CB 4.32Å; L59-I82 HydrophobicContact CD1-CB 4.37Å; L59-L85 HydrophobicContact CD1-CD1 3.92Å; L59-M103 HydrophobicContact CB-CE 4.41Å; L59-M103 HydrophobicContact CB-SD 4.16Å |
| 60 | H | 95.2 | Very high | 92.6 | Very high | 48 Ų | 48 | 59 Ų | 59 | 22% | 0.222 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 174.3 | 170.7 | -119.4 | 0 | 0 | 0 | 112.4 | A56 Y58 R62 L63 S64 M103 L106 | A56-H60 PolarHBondContact O-N 3.02Å; Y58-H60 VanDerWaalsContact C-N 3.32Å; H60-R62 VanDerWaalsContact C-N 3.27Å; H60-R62 PolarHBondContact O-N 2.94Å; H60-L63 PolarHBondContact O-N 3.11Å; H60-S64 WeakPolarHBondContact O-CB 3.18Å; H60-S64 PolarHBondContact O-N 3.18Å; H60-M103 HydrophobicContact CB-CG 3.8Å; H60-M103 HydrophobicContact CB-SD 4.1Å; H60-L106 WeakPolarHBondContact NE2-CD1 3.43Å |
| 61 | L | 94.5 | Very high | 92.7 | Very high | 71 Ų | 71 | 60 Ų | 60 | 37% | 0.372 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59 | -40.1 | 175.5 | 178 | 64.7 | 0 | 0 | 0 | 112 | K57 Y58 Q65 | K57-L61 WeakPolarHBondContact O-CB 3.35Å; K57-L61 PolarHBondContact O-N 3.26Å; Y58-L61 HydrophobicContact CD2-CD2 4.27Å; Y58-L61 PolarHBondContact O-N 3.01Å; L61-Q65 VanDerWaalsContact O-CG 3.31Å; L61-Q65 WeakPolarHBondContact O-CG 3.49Å; L61-Q65 PolarHBondContact O-N 3.27Å; L61-Q65 VanDerWaalsContact O-N 3.11Å |
| 62 | R | 93.8 | Very high | 92.5 | Very high | 52 Ų | 52 | 60.9 Ų | 60.9 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.5 | -45.9 | -178.8 | -173.2 | 57.9 | -179.1 | -126.4 | 1.4 | 111.2 | D25 Y28 Y58 L59 H60 S64 Q65 D66 | D25-R62 IonicContact OD1-NH1 2.93Å; Y28-R62 HydrophobicContact CE1-CG 4.23Å; Y28-R62 HydrophobicContact CE2-CG 3.89Å; Y28-R62 VanDerWaalsContact OH-CG 3.31Å; Y28-R62 WeakPolarHBondContact OH-CG 3.28Å; Y58-R62 VanDerWaalsContact O-CB 3.28Å; Y58-R62 WeakPolarHBondContact O-CB 3.18Å; Y58-R62 PolarHBondContact O-N 3.01Å; L59-R62 PolarHBondContact O-N 3.23Å; H60-R62 VanDerWaalsContact C-N 3.27Å; H60-R62 PolarHBondContact O-N 2.94Å; R62-S64 VanDerWaalsContact C-N 3.33Å; R62-S64 PolarHBondContact O-N 3.15Å; R62-Q65 WeakPolarHBondContact O-CB 3.31Å; R62-Q65 PolarHBondContact O-N 3.21Å; R62-Q65 VanDerWaalsContact O-N 3.13Å; R62-D66 WeakPolarHBondContact CG-OD2 3.43Å; R62-D66 IonicContact NE-OD1 3.86Å; R62-D66 IonicContact NE-OD2 2.86Å; R62-D66 PolarHBondContact NE-OD2 3.42Å; R62-D66 PolarHBondContact O-N 2.91Å |
| 63 | L | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.8 | -46.1 | 173.7 | -178.9 | 147.2 | 0 | 0 | 0 | 111.2 | L59 H60 Q65 D66 L67 I75 V79 M103 L106 L107 | L59-L63 WeakPolarHBondContact O-CB 3.34Å; L59-L63 PolarHBondContact O-N 3.3Å; H60-L63 PolarHBondContact O-N 3.11Å; L63-Q65 VanDerWaalsContact C-N 3.31Å; L63-Q65 PolarHBondContact O-N 3.45Å; L63-D66 PolarHBondContact O-N 3.42Å; L63-L67 HydrophobicContact CD2-CD1 3.54Å; L63-L67 HydrophobicContact CD2-CG 4.06Å; L63-L67 WeakPolarHBondContact O-CB 3.43Å; L63-L67 WeakPolarHBondContact O-CG 3.02Å; L63-L67 PolarHBondContact O-N 2.92Å; L63-I75 HydrophobicContact CD1-CG2 4.45Å; L63-V79 HydrophobicContact CD1-CG2 3.96Å; L63-M103 HydrophobicContact CB-CE 4.11Å; L63-M103 HydrophobicContact CD1-CB 4.17Å; L63-M103 HydrophobicContact CD1-CE 3.41Å; L63-M103 VanDerWaalsContact CD1-CE 3.41Å; L63-M103 HydrophobicContact CD1-CG 4.2Å; L63-M103 HydrophobicContact CG-CE 4.36Å; L63-L106 HydrophobicContact CD2-CB 4.17Å; L63-L106 HydrophobicContact CD2-CD1 4.12Å; L63-L107 HydrophobicContact CD1-CD1 4.33Å; L63-L107 HydrophobicContact CD1-CD2 4.25Å; L63-L107 HydrophobicContact CD1-CG 4.37Å; L63-L107 HydrophobicContact CD2-CD2 4.3Å; L63-L107 HydrophobicContact CD2-CG 4.42Å |
| 64 | S | 94.4 | Very high | 92.5 | Very high | 51 Ų | 51 | 64.4 Ų | 64.4 | 36% | 0.357 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.5 | -40.2 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 112.7 | H60 R62 S68 | H60-S64 WeakPolarHBondContact O-CB 3.18Å; H60-S64 PolarHBondContact O-N 3.18Å; R62-S64 VanDerWaalsContact C-N 3.33Å; R62-S64 PolarHBondContact O-N 3.15Å; S64-S68 PolarHBondContact O-N 3.16Å |
| 65 | Q | 93.8 | Very high | 92.5 | Very high | 69 Ų | 69 | 58 Ų | 58 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.7 | -43.4 | 175.9 | -71.1 | 171.7 | 5.3 | 0 | 0 | 112.3 | L61 R62 L63 L67 S68 R69 | L61-Q65 VanDerWaalsContact O-CG 3.31Å; L61-Q65 WeakPolarHBondContact O-CG 3.49Å; L61-Q65 PolarHBondContact O-N 3.27Å; L61-Q65 VanDerWaalsContact O-N 3.11Å; R62-Q65 WeakPolarHBondContact O-CB 3.31Å; R62-Q65 PolarHBondContact O-N 3.21Å; R62-Q65 VanDerWaalsContact O-N 3.13Å; L63-Q65 VanDerWaalsContact C-N 3.31Å; L63-Q65 PolarHBondContact O-N 3.45Å; Q65-L67 VanDerWaalsContact C-N 3.31Å; Q65-L67 PolarHBondContact O-N 3.39Å; Q65-S68 PolarHBondContact O-N 2.84Å; Q65-S68 PolarHBondContact O-OG 2.86Å; Q65-R69 WeakPolarHBondContact O-CG 3.27Å; Q65-R69 PolarHBondContact O-N 2.74Å |
| 66 | D | 93.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.8 | -30.8 | 179.7 | -73.3 | -46.8 | 0 | 0 | 0 | 111.7 | R62 L63 R69 R70 Y71 N74 I75 | R62-D66 WeakPolarHBondContact CG-OD2 3.43Å; R62-D66 IonicContact NE-OD1 3.86Å; R62-D66 IonicContact NE-OD2 2.86Å; R62-D66 PolarHBondContact NE-OD2 3.42Å; R62-D66 PolarHBondContact O-N 2.91Å; L63-D66 PolarHBondContact O-N 3.42Å; D66-R69 CarbonylContact O-C 3.58Å; D66-R69 PolarHBondContact O-N 3.34Å; D66-R70 PolarHBondContact O-N 2.89Å; D66-Y71 PolarHBondContact O-N 3.37Å; D66-N74 HydrophobicContact CB-CB 3.97Å; D66-N74 VanDerWaalsContact CG-CB 3.48Å; D66-N74 PolarHBondContact OD1-ND2 3.44Å; D66-N74 WeakPolarHBondContact OD2-CB 3.48Å; D66-I75 HydrophobicContact CB-CG1 4.07Å |
| 67 | L | 92.3 | Very high | 92.4 | Very high | 29 Ų | 29 | 59.4 Ų | 59.4 | 15% | 0.152 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.5 | -50.5 | 167.5 | -82.9 | 178.7 | 0 | 0 | 0 | 111.9 | L63 Q65 R69 R70 I75 L106 L107 T110 L115 | L63-L67 HydrophobicContact CD2-CD1 3.54Å; L63-L67 HydrophobicContact CD2-CG 4.06Å; L63-L67 WeakPolarHBondContact O-CB 3.43Å; L63-L67 WeakPolarHBondContact O-CG 3.02Å; L63-L67 PolarHBondContact O-N 2.92Å; Q65-L67 VanDerWaalsContact C-N 3.31Å; Q65-L67 PolarHBondContact O-N 3.39Å; L67-R69 PolarHBondContact O-N 2.88Å; L67-R69 VanDerWaalsContact O-N 3.14Å; L67-R70 PolarHBondContact O-N 3.15Å; L67-R70 VanDerWaalsContact O-N 3.12Å; L67-I75 HydrophobicContact CD2-CD1 3.75Å; L67-I75 HydrophobicContact CD2-CG1 4.32Å; L67-I75 HydrophobicContact CG-CD1 4.3Å; L67-I75 HydrophobicContact CG-CG1 4.47Å; L67-L106 HydrophobicContact CD1-CB 3.96Å; L67-L107 HydrophobicContact CD1-CD2 4.5Å; L67-L107 HydrophobicContact CD2-CD2 4.13Å; L67-T110 HydrophobicContact CD1-CG2 4.25Å; L67-T110 HydrophobicContact CD2-CG2 3.67Å; L67-L115 HydrophobicContact CD2-CD1 3.71Å |
| 68 | S | 89 | Confident | 92.4 | Very high | 96 Ų | 96 | 54.1 Ų | 54.1 | 67% | 0.671 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.3 | -25.4 | 179.4 | 73.9 | 0 | 0 | 0 | 0 | 113.4 | S64 Q65 | S64-S68 PolarHBondContact O-N 3.16Å; Q65-S68 PolarHBondContact O-N 2.84Å; Q65-S68 PolarHBondContact O-OG 2.86Å |
| 69 | R | 90.8 | Very high | 92.3 | Very high | 146 Ų | 146 | 53.4 Ų | 53.4 | 55% | 0.551 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -99.7 | -4.6 | -178.8 | -62.5 | 177.3 | -175.6 | 179.3 | -3.5 | 113.7 | Q65 D66 L67 Y71 | Q65-R69 WeakPolarHBondContact O-CG 3.27Å; Q65-R69 PolarHBondContact O-N 2.74Å; D66-R69 CarbonylContact O-C 3.58Å; D66-R69 PolarHBondContact O-N 3.34Å; L67-R69 PolarHBondContact O-N 2.88Å; L67-R69 VanDerWaalsContact O-N 3.14Å; R69-Y71 HydrophobicContact CB-CD2 3.53Å; R69-Y71 HydrophobicContact CB-CE2 3.54Å; R69-Y71 HydrophobicContact CB-CG 4.22Å; R69-Y71 HydrophobicContact CG-CD2 4.43Å; R69-Y71 HydrophobicContact CG-CE2 4.17Å |
| 70 | R | 86.8 | Confident | 92.2 | Very high | 198 Ų | 198 | 58.3 Ų | 58.3 | 75% | 0.747 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 43.9 | -175.4 | -55.8 | -174.6 | 178.3 | -160.7 | -1.5 | 113.6 | D66 L67 D72 | D66-R70 PolarHBondContact O-N 2.89Å; L67-R70 PolarHBondContact O-N 3.15Å; L67-R70 VanDerWaalsContact O-N 3.12Å; R70-D72 PolarHBondContact O-N 3.26Å |
| 71 | Y | 89.5 | Confident | 92.1 | Very high | 124 Ų | 124 | 56.2 Ų | 56.2 | 49% | 0.486 | 27% | 0.265 | S | S | . | . | trans | -92.1 | 77.2 | 174.2 | -67.1 | -43.8 | 0 | 0 | 0 | 111.5 | D66 R69 Q73 N74 I75 | D66-Y71 PolarHBondContact O-N 3.37Å; R69-Y71 HydrophobicContact CB-CD2 3.53Å; R69-Y71 HydrophobicContact CB-CE2 3.54Å; R69-Y71 HydrophobicContact CB-CG 4.22Å; R69-Y71 HydrophobicContact CG-CD2 4.43Å; R69-Y71 HydrophobicContact CG-CE2 4.17Å; Y71-Q73 VanDerWaalsContact C-N 3.27Å; Y71-Q73 PolarHBondContact O-N 2.96Å; Y71-N74 WeakPolarHBondContact O-CB 3.35Å; Y71-N74 PolarHBondContact O-N 3.23Å; Y71-I75 WeakPolarHBondContact O-CG1 3.11Å; Y71-I75 PolarHBondContact O-N 2.8Å; Y71-I75 VanDerWaalsContact O-N 3.07Å | ||
| 72 | D | 87.5 | Confident | 92.1 | Very high | 64 Ų | 64 | 52.9 Ų | 52.9 | 34% | 0.342 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56 | -37.1 | -172 | -62.1 | -14.1 | 0 | 0 | 0 | 113.9 | R70 I75 S76 R112 | R70-D72 PolarHBondContact O-N 3.26Å; D72-I75 WeakPolarHBondContact O-CB 3.47Å; D72-I75 PolarHBondContact O-N 3.4Å; D72-S76 PolarHBondContact O-N 3.35Å; D72-R112 IonicContact OD1-CZ 2.86Å; D72-R112 IonicContact OD1-NH1 3.36Å; D72-R112 PolarHBondContact OD1-NH1 2.95Å; D72-R112 IonicContact OD1-NH2 3.86Å; D72-R112 PolarHBondContact OD1-NH2 3.33Å; D72-R112 VanDerWaalsContact OD1-NH2 3.14Å; D72-R112 IonicContact OD2-CZ 2.82Å; D72-R112 IonicContact OD2-NH1 2.71Å; D72-R112 IonicContact OD2-NH2 3.7Å; D72-R112 PolarHBondContact OD2-NH2 3.12Å |
| 73 | Q | 89.3 | Confident | 92.1 | Very high | 107 Ų | 107 | 52.1 Ų | 52.1 | 50% | 0.5 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64 | -41.6 | 176 | -173.3 | 177.8 | -17.7 | 0 | 0 | 112.3 | P32 Y71 I75 S76 I77 | P32-Q73 HydrophobicContact CB-CG 4.1Å; P32-Q73 HydrophobicContact CG-CG 4.39Å; Y71-Q73 VanDerWaalsContact C-N 3.27Å; Y71-Q73 PolarHBondContact O-N 2.96Å; Q73-I75 VanDerWaalsContact C-N 3.33Å; Q73-S76 PolarHBondContact O-N 3.46Å; Q73-I77 HydrophobicContact CG-CD1 4.29Å; Q73-I77 VanDerWaalsContact O-CG1 3.27Å; Q73-I77 WeakPolarHBondContact O-CG1 3.4Å; Q73-I77 PolarHBondContact O-N 3.3Å |
| 74 | N | 91.5 | Very high | 91.9 | Very high | 31 Ų | 31 | 55 Ų | 55 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 177.2 | -68 | -4.9 | 0 | 0 | 0 | 111.1 | Y28 D66 Y71 I77 S78 | Y28-N74 HydrophobicContact CD1-CB 3.83Å; Y28-N74 HydrophobicContact CE1-CB 3.95Å; Y28-N74 WeakPolarHBondContact CE1-O 3.28Å; D66-N74 HydrophobicContact CB-CB 3.97Å; D66-N74 VanDerWaalsContact CG-CB 3.48Å; D66-N74 PolarHBondContact OD1-ND2 3.44Å; D66-N74 WeakPolarHBondContact OD2-CB 3.48Å; Y71-N74 WeakPolarHBondContact O-CB 3.35Å; Y71-N74 PolarHBondContact O-N 3.23Å; N74-I77 PolarHBondContact O-N 2.8Å; N74-S78 PolarHBondContact O-N 3.47Å; N74-S78 PolarHBondContact O-OG 3.27Å |
| 75 | I | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.7 | -50.1 | 175.2 | -65 | 157.3 | 0 | 0 | 0 | 109.5 | L63 D66 L67 Y71 D72 Q73 I77 S78 V79 L107 L115 | L63-I75 HydrophobicContact CD1-CG2 4.45Å; D66-I75 HydrophobicContact CB-CG1 4.07Å; L67-I75 HydrophobicContact CD2-CD1 3.75Å; L67-I75 HydrophobicContact CD2-CG1 4.32Å; L67-I75 HydrophobicContact CG-CD1 4.3Å; L67-I75 HydrophobicContact CG-CG1 4.47Å; Y71-I75 WeakPolarHBondContact O-CG1 3.11Å; Y71-I75 PolarHBondContact O-N 2.8Å; Y71-I75 VanDerWaalsContact O-N 3.07Å; D72-I75 WeakPolarHBondContact O-CB 3.47Å; D72-I75 PolarHBondContact O-N 3.4Å; Q73-I75 VanDerWaalsContact C-N 3.33Å; I75-I77 VanDerWaalsContact C-N 3.33Å; I75-I77 PolarHBondContact O-N 3.48Å; I75-S78 WeakPolarHBondContact O-CB 3.31Å; I75-S78 PolarHBondContact O-N 3.24Å; I75-V79 WeakPolarHBondContact O-CG2 2.98Å; I75-V79 PolarHBondContact O-N 2.99Å; I75-L107 HydrophobicContact CG2-CD2 3.56Å; I75-L115 HydrophobicContact CG2-CD2 4.11Å |
| 76 | S | 92.6 | Very high | 91.7 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.1 | -40.8 | 177 | -172.7 | 0 | 0 | 0 | 0 | 113 | D72 Q73 S78 V79 K80 | D72-S76 PolarHBondContact O-N 3.35Å; Q73-S76 PolarHBondContact O-N 3.46Å; S76-S78 VanDerWaalsContact C-N 3.32Å; S76-S78 PolarHBondContact O-N 3.08Å; S76-V79 PolarHBondContact O-N 3.1Å; S76-K80 WeakPolarHBondContact O-CB 3.3Å; S76-K80 VanDerWaalsContact O-CG 3.31Å; S76-K80 WeakPolarHBondContact O-CG 3.39Å; S76-K80 PolarHBondContact O-N 3.37Å |
| 77 | I | 92.5 | Very high | 91.5 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 175.1 | -69.8 | 165.3 | 0 | 0 | 0 | 110.6 | L27 Y28 Q73 N74 I75 A81 | L27-I77 HydrophobicContact CB-CG2 3.84Å; Y28-I77 HydrophobicContact CD1-CB 4.39Å; Y28-I77 HydrophobicContact CD1-CG2 4.11Å; Y28-I77 HydrophobicContact CE1-CB 4.3Å; Y28-I77 HydrophobicContact CE1-CG2 4.05Å; Q73-I77 HydrophobicContact CG-CD1 4.29Å; Q73-I77 VanDerWaalsContact O-CG1 3.27Å; Q73-I77 WeakPolarHBondContact O-CG1 3.4Å; Q73-I77 PolarHBondContact O-N 3.3Å; N74-I77 PolarHBondContact O-N 2.8Å; I75-I77 VanDerWaalsContact C-N 3.33Å; I75-I77 PolarHBondContact O-N 3.48Å; I77-A81 VanDerWaalsContact O-CB 3.25Å; I77-A81 WeakPolarHBondContact O-CB 3.39Å; I77-A81 PolarHBondContact O-N 3.04Å |
| 78 | S | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | -179 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | Y28 N74 I75 S76 A81 I82 | Y28-S78 WeakPolarHBondContact CE1-OG 3.47Å; Y28-S78 PolarHBondContact OH-OG 3.15Å; N74-S78 PolarHBondContact O-N 3.47Å; N74-S78 PolarHBondContact O-OG 3.27Å; I75-S78 WeakPolarHBondContact O-CB 3.31Å; I75-S78 PolarHBondContact O-N 3.24Å; S76-S78 VanDerWaalsContact C-N 3.32Å; S76-S78 PolarHBondContact O-N 3.08Å; S78-A81 PolarHBondContact O-N 2.96Å; S78-I82 PolarHBondContact O-N 2.94Å; S78-I82 VanDerWaalsContact O-N 3.12Å |
| 79 | V | 94.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -51.1 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | L63 I75 S76 A81 I82 D83 L107 M118 | L63-V79 HydrophobicContact CD1-CG2 3.96Å; I75-V79 WeakPolarHBondContact O-CG2 2.98Å; I75-V79 PolarHBondContact O-N 2.99Å; S76-V79 PolarHBondContact O-N 3.1Å; V79-A81 VanDerWaalsContact C-N 3.26Å; V79-A81 PolarHBondContact O-N 3.27Å; V79-I82 WeakPolarHBondContact O-CG2 3.45Å; V79-I82 PolarHBondContact O-N 3.48Å; V79-D83 VanDerWaalsContact O-CG 3.26Å; V79-D83 PolarHBondContact O-N 3.31Å; V79-L107 HydrophobicContact CG2-CD1 3.59Å; V79-M118 HydrophobicContact CB-SD 4.34Å; V79-M118 HydrophobicContact CG1-CG 4.39Å; V79-M118 HydrophobicContact CG2-SD 4.23Å |
| 80 | K | 92.9 | Very high | 91.1 | Very high | 102 Ų | 102 | 49.8 Ų | 49.8 | 44% | 0.443 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.7 | -35.6 | 177.6 | -73.2 | 174.5 | -179.6 | 173.2 | 0 | 113.1 | S76 K84 | S76-K80 WeakPolarHBondContact O-CB 3.3Å; S76-K80 VanDerWaalsContact O-CG 3.31Å; S76-K80 WeakPolarHBondContact O-CG 3.39Å; S76-K80 PolarHBondContact O-N 3.37Å; K80-K84 WeakPolarHBondContact O-CG 3.47Å; K80-K84 PolarHBondContact O-N 3.38Å |
| 81 | A | 93 | Very high | 90.7 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.7 | -46.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | L27 L59 I77 S78 V79 L85 | L27-A81 HydrophobicContact CD1-CB 3.58Å; L59-A81 HydrophobicContact CD2-CB 4.32Å; I77-A81 VanDerWaalsContact O-CB 3.25Å; I77-A81 WeakPolarHBondContact O-CB 3.39Å; I77-A81 PolarHBondContact O-N 3.04Å; S78-A81 PolarHBondContact O-N 2.96Å; V79-A81 VanDerWaalsContact C-N 3.26Å; V79-A81 PolarHBondContact O-N 3.27Å; A81-L85 VanDerWaalsContact O-CG 3.28Å; A81-L85 WeakPolarHBondContact O-CG 3.46Å; A81-L85 PolarHBondContact O-N 3.03Å; A81-L85 VanDerWaalsContact O-N 3.09Å |
| 82 | I | 93.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.7 | -37.5 | 179.2 | -164 | 157.5 | 0 | 0 | 0 | 112.2 | L59 S78 V79 K84 L85 I86 F100 M103 | L59-I82 HydrophobicContact CD1-CB 4.37Å; S78-I82 PolarHBondContact O-N 2.94Å; S78-I82 VanDerWaalsContact O-N 3.12Å; V79-I82 WeakPolarHBondContact O-CG2 3.45Å; V79-I82 PolarHBondContact O-N 3.48Å; I82-K84 PolarHBondContact O-N 3.3Å; I82-L85 PolarHBondContact O-N 2.9Å; I82-L85 VanDerWaalsContact O-N 3.17Å; I82-I86 HydrophobicContact CG1-CD1 4.21Å; I82-I86 HydrophobicContact CG1-CG1 4.47Å; I82-I86 WeakPolarHBondContact O-CG1 3.38Å; I82-I86 PolarHBondContact O-N 3.19Å; I82-F100 HydrophobicContact CD1-CB 3.74Å; I82-F100 HydrophobicContact CD1-CD2 4.49Å; I82-F100 HydrophobicContact CG1-CB 4.09Å; I82-F100 HydrophobicContact CG1-CD2 4.21Å; I82-F100 HydrophobicContact CG2-CD2 3.82Å; I82-F100 HydrophobicContact CG2-CE2 4.44Å; I82-M103 HydrophobicContact CB-CE 4.27Å; I82-M103 HydrophobicContact CB-SD 4.42Å; I82-M103 HydrophobicContact CD1-CE 4.41Å; I82-M103 HydrophobicContact CD1-SD 3.48Å; I82-M103 WeakPolarHBondContact CD1-SD 3.38Å; I82-M103 HydrophobicContact CG2-CE 3.72Å; I82-M103 HydrophobicContact CG2-SD 4.2Å |
| 83 | D | 93.2 | Very high | 90.2 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 19% | 0.193 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.4 | -51.6 | 173.6 | -72.9 | -22.7 | 0 | 0 | 0 | 111.2 | V79 L85 I86 Q87 F100 S122 | V79-D83 VanDerWaalsContact O-CG 3.26Å; V79-D83 PolarHBondContact O-N 3.31Å; D83-L85 VanDerWaalsContact C-N 3.34Å; D83-L85 PolarHBondContact O-N 3Å; D83-I86 PolarHBondContact O-N 2.78Å; D83-Q87 WeakPolarHBondContact O-CG 3.38Å; D83-Q87 PolarHBondContact O-N 3.08Å; D83-F100 WeakPolarHBondContact OD1-CE2 3.32Å; D83-S122 PolarHBondContact OD1-OG 2.91Å |
| 84 | K | 91.9 | Very high | 89.9 | Confident | 62 Ų | 62 | 39.3 Ų | 39.3 | 27% | 0.27 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.9 | -37.9 | 178.6 | -73.5 | 179.8 | 178.1 | -175.9 | 0 | 112.6 | H38 I42 K80 I82 Q87 V88 | H38-K84 HydrophobicContact CB-CD 4.31Å; I42-K84 HydrophobicContact CD1-CB 4.02Å; I42-K84 HydrophobicContact CD1-CD 4.31Å; K80-K84 WeakPolarHBondContact O-CG 3.47Å; K80-K84 PolarHBondContact O-N 3.38Å; I82-K84 PolarHBondContact O-N 3.3Å; K84-Q87 PolarHBondContact O-N 2.96Å; K84-V88 WeakPolarHBondContact O-CG2 3.34Å; K84-V88 PolarHBondContact O-N 3.06Å; K84-V88 VanDerWaalsContact O-N 3.14Å |
| 85 | L | 92.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -42 | 177.7 | -74.2 | 173.4 | 0 | 0 | 0 | 111.3 | L41 I42 C45 I55 L59 A81 I82 D83 V88 C89 L96 | L41-L85 HydrophobicContact CD2-CD1 4.27Å; I42-L85 HydrophobicContact CG1-CD2 4.23Å; C45-L85 HydrophobicContact CB-CD2 3.88Å; I55-L85 HydrophobicContact CG2-CD1 4.21Å; L59-L85 HydrophobicContact CD1-CD1 3.92Å; A81-L85 VanDerWaalsContact O-CG 3.28Å; A81-L85 WeakPolarHBondContact O-CG 3.46Å; A81-L85 PolarHBondContact O-N 3.03Å; A81-L85 VanDerWaalsContact O-N 3.09Å; I82-L85 PolarHBondContact O-N 2.9Å; I82-L85 VanDerWaalsContact O-N 3.17Å; D83-L85 VanDerWaalsContact C-N 3.34Å; D83-L85 PolarHBondContact O-N 3Å; L85-V88 PolarHBondContact O-N 2.86Å; L85-C89 WeakPolarHBondContact O-CB 3.43Å; L85-C89 PolarHBondContact O-N 2.9Å; L85-C89 PolarHBondContact O-SG 3.01Å; L85-C89 VanDerWaalsContact O-SG 3.4Å; L85-L96 HydrophobicContact CB-CD1 4.15Å; L85-L96 HydrophobicContact CB-CD2 4.14Å; L85-L96 HydrophobicContact CD1-CD2 4.39Å |
| 86 | I | 91.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 176.7 | -71.9 | 170.8 | 0 | 0 | 0 | 111.7 | I82 D83 V88 R93 L96 F100 F126 I129 | I82-I86 HydrophobicContact CG1-CD1 4.21Å; I82-I86 HydrophobicContact CG1-CG1 4.47Å; I82-I86 WeakPolarHBondContact O-CG1 3.38Å; I82-I86 PolarHBondContact O-N 3.19Å; D83-I86 PolarHBondContact O-N 2.78Å; I86-V88 VanDerWaalsContact C-N 3.33Å; I86-V88 PolarHBondContact O-N 3.29Å; I86-R93 HydrophobicContact CG2-CG 4.18Å; I86-R93 PolarHBondContact O-NE 3.42Å; I86-L96 HydrophobicContact CG1-CB 3.98Å; I86-F100 HydrophobicContact CD1-CB 3.59Å; I86-F100 HydrophobicContact CD1-CD1 3.95Å; I86-F100 HydrophobicContact CD1-CD2 3.42Å; I86-F100 VanDerWaalsContact CD1-CD2 3.42Å; I86-F100 HydrophobicContact CD1-CE2 4.02Å; I86-F100 HydrophobicContact CD1-CG 3.36Å; I86-F126 HydrophobicContact CD1-CD2 4.21Å; I86-F126 HydrophobicContact CG2-CD2 3.78Å; I86-F126 HydrophobicContact CG2-CE2 4.22Å; I86-I129 HydrophobicContact CG2-CD1 3.71Å |
| 87 | Q | 89 | Confident | 89.3 | Confident | 100 Ų | 100 | 38.9 Ų | 38.9 | 47% | 0.467 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.6 | -36 | 179 | -73.6 | 176 | 0.8 | 0 | 0 | 112.4 | D83 K84 H90 I129 | D83-Q87 WeakPolarHBondContact O-CG 3.38Å; D83-Q87 PolarHBondContact O-N 3.08Å; K84-Q87 PolarHBondContact O-N 2.96Å; Q87-H90 PolarHBondContact O-CE1 3Å; Q87-H90 PolarHBondContact O-NE2 3.03Å; Q87-I129 HydrophobicContact CG-CD1 4.35Å |
| 88 | V | 90.3 | Very high | 89.1 | Confident | 53 Ų | 53 | 41.6 Ų | 41.6 | 32% | 0.321 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -98.7 | -32 | -171.5 | 179.2 | 0 | 0 | 0 | 0 | 113.6 | I42 L46 K84 L85 I86 H90 | I42-V88 HydrophobicContact CG2-CB 4.17Å; I42-V88 HydrophobicContact CG2-CG1 3.63Å; I42-V88 HydrophobicContact CG2-CG2 4.36Å; L46-V88 HydrophobicContact CD1-CG1 3.92Å; L46-V88 HydrophobicContact CD2-CG1 4.05Å; L46-V88 HydrophobicContact CG-CG1 4.24Å; K84-V88 WeakPolarHBondContact O-CG2 3.34Å; K84-V88 PolarHBondContact O-N 3.06Å; K84-V88 VanDerWaalsContact O-N 3.14Å; L85-V88 PolarHBondContact O-N 2.86Å; I86-V88 VanDerWaalsContact C-N 3.33Å; I86-V88 PolarHBondContact O-N 3.29Å; V88-H90 PolarHBondContact O-CD2 2.97Å; V88-H90 PolarHBondContact O-N 2.86Å |
| 89 | C | 88.1 | Confident | 88.9 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | trans | -93.2 | 57.8 | -172.9 | -58.4 | 0 | 0 | 0 | 0 | 112.8 | L52 L85 G91 H92 R93 L96 | L52-C89 HydrophobicContact CD1-CB 4.37Å; L85-C89 WeakPolarHBondContact O-CB 3.43Å; L85-C89 PolarHBondContact O-N 2.9Å; L85-C89 PolarHBondContact O-SG 3.01Å; L85-C89 VanDerWaalsContact O-SG 3.4Å; C89-G91 PolarHBondContact O-N 3.49Å; C89-H92 PolarHBondContact O-N 3.5Å; C89-R93 PolarHBondContact O-N 2.91Å; C89-L96 HydrophobicContact CB-CD1 3.66Å | ||
| 90 | H | 85 | Confident | 88.9 | Confident | 119 Ų | 119 | 41.7 Ų | 41.7 | 55% | 0.551 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -49.3 | -47.5 | -173.3 | -55.2 | -71.9 | 0 | 0 | 0 | 114.2 | Q87 V88 H92 R93 | Q87-H90 PolarHBondContact O-CE1 3Å; Q87-H90 PolarHBondContact O-NE2 3.03Å; V88-H90 PolarHBondContact O-CD2 2.97Å; V88-H90 PolarHBondContact O-N 2.86Å; H90-H92 PolarHBondContact O-N 3.17Å; H90-H92 VanDerWaalsContact O-N 3.16Å; H90-R93 PolarHBondContact ND1-NH2 3.27Å; H90-R93 WeakPolarHBondContact O-CB 3.35Å; H90-R93 PolarHBondContact O-N 3.11Å |
| 91 | G | 78.9 | Confident | 88.9 | Confident | 73 Ų | 73 | 36.9 Ų | 36.9 | 75% | 0.753 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -70.6 | -9.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | C89 | C89-G91 PolarHBondContact O-N 3.49Š|
| 92 | H | 82.3 | Confident | 88.9 | Confident | 83 Ų | 83 | 41 Ų | 41 | 38% | 0.384 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -130.9 | 18.9 | -177.9 | -69.2 | -96.8 | 0 | 0 | 0 | 112 | P49 L52 C89 H90 L94 V95 | P49-H92 VanDerWaalsContact CB-CE1 3.48Å; P49-H92 WeakPolarHBondContact CB-CE1 3.45Å; P49-H92 WeakPolarHBondContact CB-NE2 3.34Å; L52-H92 HydrophobicContact CD1-CB 3.36Å; C89-H92 PolarHBondContact O-N 3.5Å; H90-H92 PolarHBondContact O-N 3.17Å; H90-H92 VanDerWaalsContact O-N 3.16Å; H92-L94 VanDerWaalsContact C-N 3.31Å; H92-L94 PolarHBondContact O-N 3.23Å; H92-V95 PolarHBondContact O-N 3.26Å |
| 93 | R | 85.3 | Confident | 89 | Confident | 28 Ų | 28 | 41.1 Ų | 41.1 | 11% | 0.106 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.9 | -35.5 | -170.6 | -168.4 | -173 | -75.9 | 155.1 | -12.1 | 113.2 | I86 C89 H90 V95 L96 A97 I129 D130 D131 | I86-R93 HydrophobicContact CG2-CG 4.18Å; I86-R93 PolarHBondContact O-NE 3.42Å; C89-R93 PolarHBondContact O-N 2.91Å; H90-R93 PolarHBondContact ND1-NH2 3.27Å; H90-R93 WeakPolarHBondContact O-CB 3.35Å; H90-R93 PolarHBondContact O-N 3.11Å; R93-V95 PolarHBondContact O-N 2.7Å; R93-L96 WeakPolarHBondContact O-CB 3.42Å; R93-L96 PolarHBondContact O-N 2.88Å; R93-A97 WeakPolarHBondContact O-CB 3.21Å; R93-A97 PolarHBondContact O-N 3.19Å; R93-I129 VanDerWaalsContact NH1-CG2 3.31Å; R93-D130 PolarHBondContact NH1-O 2.93Å; R93-D131 WeakPolarHBondContact CD-OD1 3.48Å; R93-D131 IonicContact CZ-OD1 2.72Å; R93-D131 IonicContact NE-OD1 3.68Å; R93-D131 IonicContact NH1-OD1 3.79Å; R93-D131 PolarHBondContact NH1-OD1 3.17Å |
| 94 | L | 82.7 | Confident | 89.1 | Confident | 89 Ų | 89 | 39.5 Ų | 39.5 | 47% | 0.466 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -52.7 | -43.3 | 176.5 | -174 | 74.2 | 0 | 0 | 0 | 112.3 | H92 A97 I98 Y136 | H92-L94 VanDerWaalsContact C-N 3.31Å; H92-L94 PolarHBondContact O-N 3.23Å; L94-A97 PolarHBondContact O-N 2.99Å; L94-I98 WeakPolarHBondContact O-CG1 3.43Å; L94-I98 PolarHBondContact O-N 2.91Å; L94-Y136 HydrophobicContact CD1-CE1 3.8Å |
| 95 | V | 84.3 | Confident | 89.2 | Confident | 47 Ų | 47 | 38.5 Ų | 38.5 | 29% | 0.285 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.5 | -39.5 | -179.5 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | D53 H92 R93 | D53-V95 HydrophobicContact CB-CG1 3.5Å; D53-V95 VanDerWaalsContact CB-CG1 3.5Å; H92-V95 PolarHBondContact O-N 3.26Å; R93-V95 PolarHBondContact O-N 2.7Å |
| 96 | L | 90.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69 | -44.2 | 176.3 | -71.7 | 166.1 | 0 | 0 | 0 | 111.2 | L52 A56 L85 I86 C89 R93 I98 S99 F100 | L52-L96 HydrophobicContact CD2-CD1 4.28Å; L52-L96 HydrophobicContact CD2-CD2 4.16Å; L52-L96 HydrophobicContact CD2-CG 4.47Å; A56-L96 HydrophobicContact CB-CD2 3.99Å; L85-L96 HydrophobicContact CB-CD1 4.15Å; L85-L96 HydrophobicContact CB-CD2 4.14Å; L85-L96 HydrophobicContact CD1-CD2 4.39Å; I86-L96 HydrophobicContact CG1-CB 3.98Å; C89-L96 HydrophobicContact CB-CD1 3.66Å; R93-L96 WeakPolarHBondContact O-CB 3.42Å; R93-L96 PolarHBondContact O-N 2.88Å; L96-I98 PolarHBondContact O-N 3.35Å; L96-S99 PolarHBondContact O-N 3.38Å; L96-F100 WeakPolarHBondContact O-CB 3.31Å; L96-F100 PolarHBondContact O-N 3.01Å |
| 97 | A | 88.9 | Confident | 89.5 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.3 | -42.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R93 L94 S99 F100 L101 F126 Y136 | R93-A97 WeakPolarHBondContact O-CB 3.21Å; R93-A97 PolarHBondContact O-N 3.19Å; L94-A97 PolarHBondContact O-N 2.99Å; A97-S99 VanDerWaalsContact C-N 3.34Å; A97-S99 PolarHBondContact O-N 3.46Å; A97-F100 WeakPolarHBondContact O-CB 3.44Å; A97-F100 PolarHBondContact O-N 3.4Å; A97-L101 WeakPolarHBondContact O-CB 3.15Å; A97-L101 VanDerWaalsContact O-CG 3.25Å; A97-L101 WeakPolarHBondContact O-CG 3.31Å; A97-L101 PolarHBondContact O-N 3.25Å; A97-F126 HydrophobicContact CB-CE2 3.96Å; A97-F126 HydrophobicContact CB-CZ 3.87Å; A97-Y136 HydrophobicContact CB-CD1 4.33Å; A97-Y136 HydrophobicContact CB-CE1 3.37Å; A97-Y136 HydrophobicContact CB-CE2 4.41Å; A97-Y136 VanDerWaalsContact CB-CZ 3.45Å; A97-Y136 VanDerWaalsContact CB-OH 3.29Å; A97-Y136 WeakPolarHBondContact CB-OH 3.39Å |
| 98 | I | 88 | Confident | 89.8 | Confident | 62 Ų | 62 | 35.4 Ų | 35.4 | 32% | 0.318 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 177.8 | -65 | 166.6 | 0 | 0 | 0 | 111.9 | L94 L96 K102 | L94-I98 WeakPolarHBondContact O-CG1 3.43Å; L94-I98 PolarHBondContact O-N 2.91Å; L96-I98 PolarHBondContact O-N 3.35Å; I98-K102 WeakPolarHBondContact O-CG 3.5Å; I98-K102 PolarHBondContact O-N 3Å |
| 99 | S | 91.6 | Very high | 90 | Very high | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.6 | -33.4 | 178.3 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | A56 L96 A97 K102 M103 | A56-S99 WeakPolarHBondContact CB-OG 3.45Å; L96-S99 PolarHBondContact O-N 3.38Å; A97-S99 VanDerWaalsContact C-N 3.34Å; A97-S99 PolarHBondContact O-N 3.46Å; S99-K102 PolarHBondContact O-N 2.9Å; S99-M103 WeakPolarHBondContact O-CG 3.36Å; S99-M103 PolarHBondContact O-N 3.32Å |
| 100 | F | 94.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -51.3 | 173.8 | 169.3 | -98.8 | 0 | 0 | 0 | 112.3 | I82 D83 I86 L96 A97 K102 M103 I104 S122 F123 F126 | I82-F100 HydrophobicContact CD1-CB 3.74Å; I82-F100 HydrophobicContact CD1-CD2 4.49Å; I82-F100 HydrophobicContact CG1-CB 4.09Å; I82-F100 HydrophobicContact CG1-CD2 4.21Å; I82-F100 HydrophobicContact CG2-CD2 3.82Å; I82-F100 HydrophobicContact CG2-CE2 4.44Å; D83-F100 WeakPolarHBondContact OD1-CE2 3.32Å; I86-F100 HydrophobicContact CD1-CB 3.59Å; I86-F100 HydrophobicContact CD1-CD1 3.95Å; I86-F100 HydrophobicContact CD1-CD2 3.42Å; I86-F100 VanDerWaalsContact CD1-CD2 3.42Å; I86-F100 HydrophobicContact CD1-CE2 4.02Å; I86-F100 HydrophobicContact CD1-CG 3.36Å; L96-F100 WeakPolarHBondContact O-CB 3.31Å; L96-F100 PolarHBondContact O-N 3.01Å; A97-F100 WeakPolarHBondContact O-CB 3.44Å; A97-F100 PolarHBondContact O-N 3.4Å; F100-K102 PolarHBondContact O-N 2.99Å; F100-M103 CarbonylContact O-C 3.52Å; F100-M103 WeakPolarHBondContact O-CA 3.39Å; F100-M103 WeakPolarHBondContact O-CB 3.22Å; F100-M103 PolarHBondContact O-N 3.43Å; F100-I104 HydrophobicContact CD1-CG1 4.15Å; F100-I104 HydrophobicContact CD2-CG1 4.31Å; F100-I104 HydrophobicContact CE1-CD1 4.39Å; F100-I104 HydrophobicContact CE1-CG1 3.71Å; F100-I104 HydrophobicContact CE2-CD1 3.84Å; F100-I104 HydrophobicContact CE2-CG1 3.91Å; F100-I104 HydrophobicContact CG-CG1 4.43Å; F100-I104 HydrophobicContact CZ-CD1 3.75Å; F100-I104 HydrophobicContact CZ-CG1 3.59Å; F100-I104 WeakPolarHBondContact O-CG1 3.43Å; F100-I104 PolarHBondContact O-N 3.49Å; F100-S122 WeakPolarHBondContact CE2-OG 3.28Å; F100-F123 HydrophobicContact CE1-CD2 4.3Å; F100-F126 HydrophobicContact CD1-CD1 4.18Å; F100-F126 HydrophobicContact CD1-CD2 4.28Å; F100-F126 HydrophobicContact CD1-CE1 4.47Å; F100-F126 HydrophobicContact CD1-CG 4.06Å; F100-F126 HydrophobicContact CE1-CB 3.56Å; F100-F126 AromaticContact CE1-CD1 3.62Å; F100-F126 HydrophobicContact CE1-CD1 3.62Å; F100-F126 HydrophobicContact CE1-CD2 4.09Å; F100-F126 HydrophobicContact CE1-CE1 4.32Å; F100-F126 AromaticContact CE1-CG 3.46Å; F100-F126 HydrophobicContact CE1-CG 3.46Å; F100-F126 VanDerWaalsContact CE1-CG 3.46Å; F100-F126 HydrophobicContact CZ-CB 3.67Å; F100-F126 HydrophobicContact CZ-CG 4.1Å |
| 101 | L | 92.8 | Very high | 90 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -37.8 | 179.1 | -65.3 | 172.6 | 0 | 0 | 0 | 111 | A97 M103 I104 Q105 F123 F126 Y136 E139 I143 | A97-L101 WeakPolarHBondContact O-CB 3.15Å; A97-L101 VanDerWaalsContact O-CG 3.25Å; A97-L101 WeakPolarHBondContact O-CG 3.31Å; A97-L101 PolarHBondContact O-N 3.25Å; L101-M103 PolarHBondContact O-N 3.02Å; L101-I104 PolarHBondContact O-N 3.01Å; L101-Q105 WeakPolarHBondContact O-CB 3.39Å; L101-Q105 PolarHBondContact O-N 3.3Å; L101-F123 HydrophobicContact CD2-CD2 3.94Å; L101-F123 HydrophobicContact CD2-CE2 3.67Å; L101-F126 HydrophobicContact CD2-CD1 4.4Å; L101-F126 HydrophobicContact CD2-CE1 3.98Å; L101-Y136 HydrophobicContact CD1-CD1 3.85Å; L101-Y136 HydrophobicContact CD1-CG 3.94Å; L101-E139 HydrophobicContact CB-CB 3.91Å; L101-E139 HydrophobicContact CB-CG 4.29Å; L101-E139 HydrophobicContact CD1-CB 3.56Å; L101-E139 HydrophobicContact CD1-CG 4.2Å; L101-E139 HydrophobicContact CG-CB 4.32Å; L101-I143 HydrophobicContact CB-CD1 3.93Å; L101-I143 HydrophobicContact CD2-CD1 3.71Å; L101-I143 HydrophobicContact CG-CD1 4.4Å |
| 102 | K | 92.9 | Very high | 90.6 | Very high | 91 Ų | 91 | 38.9 Ų | 38.9 | 40% | 0.396 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 171.2 | -70.3 | 174.6 | -177.9 | 178.7 | 0 | 113.5 | I98 S99 F100 L106 | I98-K102 WeakPolarHBondContact O-CG 3.5Å; I98-K102 PolarHBondContact O-N 3Å; S99-K102 PolarHBondContact O-N 2.9Å; F100-K102 PolarHBondContact O-N 2.99Å; K102-L106 WeakPolarHBondContact O-CG 3.18Å; K102-L106 PolarHBondContact O-N 2.62Å |
| 103 | M | 95.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 173.7 | -75 | 170.1 | 66.1 | 0 | 0 | 111.4 | L59 H60 L63 I82 S99 F100 L101 L106 L107 | L59-M103 HydrophobicContact CB-CE 4.41Å; L59-M103 HydrophobicContact CB-SD 4.16Å; H60-M103 HydrophobicContact CB-CG 3.8Å; H60-M103 HydrophobicContact CB-SD 4.1Å; L63-M103 HydrophobicContact CB-CE 4.11Å; L63-M103 HydrophobicContact CD1-CB 4.17Å; L63-M103 HydrophobicContact CD1-CE 3.41Å; L63-M103 VanDerWaalsContact CD1-CE 3.41Å; L63-M103 HydrophobicContact CD1-CG 4.2Å; L63-M103 HydrophobicContact CG-CE 4.36Å; I82-M103 HydrophobicContact CB-CE 4.27Å; I82-M103 HydrophobicContact CB-SD 4.42Å; I82-M103 HydrophobicContact CD1-CE 4.41Å; I82-M103 HydrophobicContact CD1-SD 3.48Å; I82-M103 WeakPolarHBondContact CD1-SD 3.38Å; I82-M103 HydrophobicContact CG2-CE 3.72Å; I82-M103 HydrophobicContact CG2-SD 4.2Å; S99-M103 WeakPolarHBondContact O-CG 3.36Å; S99-M103 PolarHBondContact O-N 3.32Å; F100-M103 CarbonylContact O-C 3.52Å; F100-M103 WeakPolarHBondContact O-CA 3.39Å; F100-M103 WeakPolarHBondContact O-CB 3.22Å; F100-M103 PolarHBondContact O-N 3.43Å; L101-M103 PolarHBondContact O-N 3.02Å; M103-L106 PolarHBondContact O-N 3.05Å; M103-L107 VanDerWaalsContact O-CG 3.27Å; M103-L107 WeakPolarHBondContact O-CG 3.04Å; M103-L107 PolarHBondContact O-N 3.47Å; M103-L107 VanDerWaalsContact O-N 3.1Å |
| 104 | I | 96.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -50.8 | 174.8 | -65.6 | -52.4 | 0 | 0 | 0 | 110.2 | F100 L101 L106 L107 L108 A119 F123 I143 | F100-I104 HydrophobicContact CD1-CG1 4.15Å; F100-I104 HydrophobicContact CD2-CG1 4.31Å; F100-I104 HydrophobicContact CE1-CD1 4.39Å; F100-I104 HydrophobicContact CE1-CG1 3.71Å; F100-I104 HydrophobicContact CE2-CD1 3.84Å; F100-I104 HydrophobicContact CE2-CG1 3.91Å; F100-I104 HydrophobicContact CG-CG1 4.43Å; F100-I104 HydrophobicContact CZ-CD1 3.75Å; F100-I104 HydrophobicContact CZ-CG1 3.59Å; F100-I104 WeakPolarHBondContact O-CG1 3.43Å; F100-I104 PolarHBondContact O-N 3.49Å; L101-I104 PolarHBondContact O-N 3.01Å; I104-L106 PolarHBondContact O-N 3.02Å; I104-L107 WeakPolarHBondContact O-CB 3.38Å; I104-L107 PolarHBondContact O-N 3.19Å; I104-L107 VanDerWaalsContact O-N 3.08Å; I104-L108 HydrophobicContact CG2-CD1 3.72Å; I104-L108 HydrophobicContact CG2-CG 4.24Å; I104-L108 VanDerWaalsContact O-CG 3.3Å; I104-L108 WeakPolarHBondContact O-CG 3.46Å; I104-L108 PolarHBondContact O-N 3.11Å; I104-A119 HydrophobicContact CD1-CB 4.28Å; I104-A119 HydrophobicContact CG2-CB 4.39Å; I104-F123 HydrophobicContact CG1-CB 4.46Å; I104-F123 HydrophobicContact CG2-CB 4.23Å; I104-F123 HydrophobicContact CG2-CD2 4.47Å; I104-I143 HydrophobicContact CB-CD1 4.28Å; I104-I143 HydrophobicContact CG2-CD1 4.03Å; I104-I143 HydrophobicContact CG2-CG1 4.45Å; I104-I143 HydrophobicContact CG2-CG2 4.36Å |
| 105 | Q | 94.3 | Very high | 92 | Very high | 42 Ų | 42 | 34.6 Ų | 34.6 | 20% | 0.196 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54 | -50.2 | 176.8 | -177.6 | -176.3 | -5 | 0 | 0 | 111.8 | L101 L107 L108 E109 I143 | L101-Q105 WeakPolarHBondContact O-CB 3.39Å; L101-Q105 PolarHBondContact O-N 3.3Å; Q105-L107 VanDerWaalsContact C-N 3.26Å; Q105-L107 PolarHBondContact O-N 3.4Å; Q105-L108 PolarHBondContact O-N 3.49Å; Q105-L108 VanDerWaalsContact O-N 3.13Å; Q105-E109 HydrophobicContact CG-CG 4.42Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.34Å; Q105-E109 PolarHBondContact NE2-OE1 3.25Å; Q105-E109 WeakPolarHBondContact O-CG 3.27Å; Q105-E109 PolarHBondContact O-N 2.76Å; Q105-I143 HydrophobicContact CB-CG1 4.2Å |
| 106 | L | 94.4 | Very high | 92.6 | Very high | 38 Ų | 38 | 33.3 Ų | 33.3 | 20% | 0.199 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.9 | -36.7 | 177.7 | -80 | -179.7 | 0 | 0 | 0 | 113.4 | H60 L63 L67 K102 M103 I104 T110 | H60-L106 WeakPolarHBondContact NE2-CD1 3.43Å; L63-L106 HydrophobicContact CD2-CB 4.17Å; L63-L106 HydrophobicContact CD2-CD1 4.12Å; L67-L106 HydrophobicContact CD1-CB 3.96Å; K102-L106 WeakPolarHBondContact O-CG 3.18Å; K102-L106 PolarHBondContact O-N 2.62Å; M103-L106 PolarHBondContact O-N 3.05Å; I104-L106 PolarHBondContact O-N 3.02Å; L106-T110 WeakPolarHBondContact O-CG2 3.31Å |
| 107 | L | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.4 | -42.1 | 177.8 | -67.6 | 169.7 | 0 | 0 | 0 | 111.2 | L63 L67 I75 V79 M103 I104 Q105 T110 L115 A119 | L63-L107 HydrophobicContact CD1-CD1 4.33Å; L63-L107 HydrophobicContact CD1-CD2 4.25Å; L63-L107 HydrophobicContact CD1-CG 4.37Å; L63-L107 HydrophobicContact CD2-CD2 4.3Å; L63-L107 HydrophobicContact CD2-CG 4.42Å; L67-L107 HydrophobicContact CD1-CD2 4.5Å; L67-L107 HydrophobicContact CD2-CD2 4.13Å; I75-L107 HydrophobicContact CG2-CD2 3.56Å; V79-L107 HydrophobicContact CG2-CD1 3.59Å; M103-L107 VanDerWaalsContact O-CG 3.27Å; M103-L107 WeakPolarHBondContact O-CG 3.04Å; M103-L107 PolarHBondContact O-N 3.47Å; M103-L107 VanDerWaalsContact O-N 3.1Å; I104-L107 WeakPolarHBondContact O-CB 3.38Å; I104-L107 PolarHBondContact O-N 3.19Å; I104-L107 VanDerWaalsContact O-N 3.08Å; Q105-L107 VanDerWaalsContact C-N 3.26Å; Q105-L107 PolarHBondContact O-N 3.4Å; L107-T110 PolarHBondContact O-N 3.39Å; L107-T110 PolarHBondContact O-OG1 2.96Å; L107-L115 HydrophobicContact CD2-CB 4.44Å; L107-L115 HydrophobicContact CD2-CD1 4.49Å; L107-A119 HydrophobicContact CB-CB 3.67Å; L107-A119 HydrophobicContact CD1-CB 3.97Å; L107-A119 HydrophobicContact CG-CB 4.49Å |
| 108 | L | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.4 | -38 | 179.7 | -65.7 | 173.8 | 0 | 0 | 0 | 112.2 | I104 Q105 T110 N111 Q116 A119 I143 H146 F147 M150 | I104-L108 HydrophobicContact CG2-CD1 3.72Å; I104-L108 HydrophobicContact CG2-CG 4.24Å; I104-L108 VanDerWaalsContact O-CG 3.3Å; I104-L108 WeakPolarHBondContact O-CG 3.46Å; I104-L108 PolarHBondContact O-N 3.11Å; Q105-L108 PolarHBondContact O-N 3.49Å; Q105-L108 VanDerWaalsContact O-N 3.13Å; L108-T110 PolarHBondContact O-N 3.49Å; L108-N111 PolarHBondContact O-N 2.89Å; L108-Q116 HydrophobicContact CD2-CG 4.42Å; L108-Q116 PolarHBondContact O-NE2 3.41Å; L108-Q116 VanDerWaalsContact O-NE2 3.15Å; L108-A119 HydrophobicContact CD2-CB 3.78Å; L108-A119 HydrophobicContact CG-CB 4.01Å; L108-I143 HydrophobicContact CD1-CG2 3.73Å; L108-H146 HydrophobicContact CB-CB 3.81Å; L108-H146 HydrophobicContact CD1-CB 3.94Å; L108-H146 HydrophobicContact CG-CB 4.41Å; L108-F147 HydrophobicContact CD1-CD1 4.25Å; L108-F147 HydrophobicContact CD1-CE1 3.8Å; L108-F147 HydrophobicContact CD1-CZ 3.96Å; L108-F147 HydrophobicContact CD2-CD1 4.24Å; L108-F147 HydrophobicContact CD2-CE1 3.8Å; L108-F147 HydrophobicContact CG-CE1 4.47Å; L108-M150 HydrophobicContact CD2-SD 3.51Å; L108-M150 VanDerWaalsContact CD2-SD 3.51Å |
| 109 | E | 93.2 | Very high | 93.5 | Very high | 87 Ų | 87 | 34.7 Ų | 34.7 | 41% | 0.407 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18 | 176.8 | -75.6 | 173.8 | -177.1 | 0 | 0 | 113.7 | Q105 N111 H146 | Q105-E109 HydrophobicContact CG-CG 4.42Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.34Å; Q105-E109 PolarHBondContact NE2-OE1 3.25Å; Q105-E109 WeakPolarHBondContact O-CG 3.27Å; Q105-E109 PolarHBondContact O-N 2.76Å; E109-N111 VanDerWaalsContact C-N 3.27Å; E109-N111 PolarHBondContact O-N 3.44Å; E109-H146 WeakPolarHBondContact CG-NE2 3.33Å |
| 110 | T | 90.2 | Very high | 93.8 | Very high | 46 Ų | 46 | 34.4 Ų | 34.4 | 28% | 0.282 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -17.8 | -177.8 | 65.5 | 0 | 0 | 0 | 0 | 114.6 | L67 L106 L107 L108 R112 L115 | L67-T110 HydrophobicContact CD1-CG2 4.25Å; L67-T110 HydrophobicContact CD2-CG2 3.67Å; L106-T110 WeakPolarHBondContact O-CG2 3.31Å; L107-T110 PolarHBondContact O-N 3.39Å; L107-T110 PolarHBondContact O-OG1 2.96Å; L108-T110 PolarHBondContact O-N 3.49Å; T110-R112 PolarHBondContact O-N 3.45Å; T110-R112 VanDerWaalsContact O-N 3.11Å; T110-R112 PolarHBondContact OG1-N 3.29Å; T110-L115 HydrophobicContact CG2-CD1 4.18Å |
| 111 | N | 84 | Confident | 93.9 | Very high | 128 Ų | 128 | 40.5 Ų | 40.5 | 68% | 0.684 | 20% | 0.198 | S | C | * | . | trans | 54.6 | 22.5 | -172.4 | -62.2 | -40 | 0 | 0 | 0 | 114.7 | L108 E109 Q116 | L108-N111 PolarHBondContact O-N 2.89Å; E109-N111 VanDerWaalsContact C-N 3.27Å; E109-N111 PolarHBondContact O-N 3.44Å; N111-Q116 PolarHBondContact OD1-NE2 3.16Å | ||
| 112 | R | 91.8 | Very high | 94 | Very high | 64 Ų | 64 | 40.8 Ų | 40.8 | 24% | 0.242 | 20% | 0.2 | C | C | . | . | trans | -92.9 | 122.6 | 173.1 | -76.3 | -178.1 | 55.7 | 178.2 | 3.6 | 110.2 | D72 T110 D114 L115 Q116 | D72-R112 IonicContact OD1-CZ 2.86Å; D72-R112 IonicContact OD1-NH1 3.36Å; D72-R112 PolarHBondContact OD1-NH1 2.95Å; D72-R112 IonicContact OD1-NH2 3.86Å; D72-R112 PolarHBondContact OD1-NH2 3.33Å; D72-R112 VanDerWaalsContact OD1-NH2 3.14Å; D72-R112 IonicContact OD2-CZ 2.82Å; D72-R112 IonicContact OD2-NH1 2.71Å; D72-R112 IonicContact OD2-NH2 3.7Å; D72-R112 PolarHBondContact OD2-NH2 3.12Å; T110-R112 PolarHBondContact O-N 3.45Å; T110-R112 VanDerWaalsContact O-N 3.11Å; T110-R112 PolarHBondContact OG1-N 3.29Å; R112-D114 VanDerWaalsContact C-N 3.32Å; R112-D114 WeakPolarHBondContact CB-OD1 3.43Å; R112-D114 IonicContact CZ-OD1 3.64Å; R112-D114 IonicContact CZ-OD2 3.25Å; R112-D114 IonicContact NE-OD1 2.72Å; R112-D114 PolarHBondContact NE-OD1 2.93Å; R112-D114 IonicContact NE-OD2 2.74Å; R112-D114 IonicContact NH2-OD1 3.69Å; R112-D114 PolarHBondContact NH2-OD1 3.28Å; R112-D114 IonicContact NH2-OD2 3.04Å; R112-D114 PolarHBondContact NH2-OD2 3.49Å; R112-D114 PolarHBondContact O-N 3.3Å; R112-L115 HydrophobicContact CB-CB 4.14Å; R112-L115 HydrophobicContact CB-CD1 4.18Å; R112-L115 HydrophobicContact CB-CG 4.05Å; R112-L115 PolarHBondContact O-N 2.9Å; R112-L115 VanDerWaalsContact O-N 3.14Å; R112-Q116 WeakPolarHBondContact O-CB 3.01Å; R112-Q116 WeakPolarHBondContact O-CG 3.39Å; R112-Q116 PolarHBondContact O-N 2.9Å | ||
| 113 | V | 92.1 | Very high | 94.1 | Very high | 34 Ų | 34 | 36.4 Ų | 36.4 | 21% | 0.206 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -51 | -48.8 | -176.8 | 173 | 0 | 0 | 0 | 0 | 112.4 | L115 Q116 I117 L155 V164 | V113-L115 PolarHBondContact O-N 2.87Å; V113-Q116 PolarHBondContact O-N 3.44Å; V113-I117 HydrophobicContact CG1-CD1 3.75Å; V113-I117 WeakPolarHBondContact O-CB 3.43Å; V113-I117 VanDerWaalsContact O-CG1 3.27Å; V113-I117 WeakPolarHBondContact O-CG1 3.17Å; V113-I117 PolarHBondContact O-N 3Å; V113-L155 HydrophobicContact CG2-CD1 3.66Å; V113-V164 HydrophobicContact CB-CG2 4.15Å; V113-V164 HydrophobicContact CG1-CG2 3.6Å; V113-V164 HydrophobicContact CG2-CG2 3.95Å |
| 114 | D | 93 | Very high | 94 | Very high | 75 Ų | 75 | 37 Ų | 37 | 40% | 0.401 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.5 | -41.8 | -178.3 | 60.9 | -47.2 | 0 | 0 | 0 | 112.7 | R112 M118 | R112-D114 VanDerWaalsContact C-N 3.32Å; R112-D114 WeakPolarHBondContact CB-OD1 3.43Å; R112-D114 IonicContact CZ-OD1 3.64Å; R112-D114 IonicContact CZ-OD2 3.25Å; R112-D114 IonicContact NE-OD1 2.72Å; R112-D114 PolarHBondContact NE-OD1 2.93Å; R112-D114 IonicContact NE-OD2 2.74Å; R112-D114 IonicContact NH2-OD1 3.69Å; R112-D114 PolarHBondContact NH2-OD1 3.28Å; R112-D114 IonicContact NH2-OD2 3.04Å; R112-D114 PolarHBondContact NH2-OD2 3.49Å; R112-D114 PolarHBondContact O-N 3.3Å; D114-M118 WeakPolarHBondContact O-CB 3.29Å; D114-M118 PolarHBondContact O-N 2.96Å; D114-M118 VanDerWaalsContact O-N 3.09Å |
| 115 | L | 94.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -74.8 | -37.9 | 179.6 | -59.4 | -172.1 | 0 | 0 | 0 | 112 | L67 I75 L107 T110 R112 V113 M118 A119 | L67-L115 HydrophobicContact CD2-CD1 3.71Å; I75-L115 HydrophobicContact CG2-CD2 4.11Å; L107-L115 HydrophobicContact CD2-CB 4.44Å; L107-L115 HydrophobicContact CD2-CD1 4.49Å; T110-L115 HydrophobicContact CG2-CD1 4.18Å; R112-L115 HydrophobicContact CB-CB 4.14Å; R112-L115 HydrophobicContact CB-CD1 4.18Å; R112-L115 HydrophobicContact CB-CG 4.05Å; R112-L115 PolarHBondContact O-N 2.9Å; R112-L115 VanDerWaalsContact O-N 3.14Å; V113-L115 PolarHBondContact O-N 2.87Å; L115-M118 PolarHBondContact O-N 3.4Å; L115-A119 VanDerWaalsContact O-CB 3.3Å; L115-A119 WeakPolarHBondContact O-CB 3.48Å; L115-A119 PolarHBondContact O-N 3.33Å |
| 116 | Q | 95.1 | Very high | 93.8 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 9% | 0.089 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 175.8 | -78.4 | -177 | -31.1 | 0 | 0 | 111.6 | L108 N111 R112 V113 M118 A119 S120 M150 | L108-Q116 HydrophobicContact CD2-CG 4.42Å; L108-Q116 PolarHBondContact O-NE2 3.41Å; L108-Q116 VanDerWaalsContact O-NE2 3.15Å; N111-Q116 PolarHBondContact OD1-NE2 3.16Å; R112-Q116 WeakPolarHBondContact O-CB 3.01Å; R112-Q116 WeakPolarHBondContact O-CG 3.39Å; R112-Q116 PolarHBondContact O-N 2.9Å; V113-Q116 PolarHBondContact O-N 3.44Å; Q116-M118 VanDerWaalsContact C-N 3.34Å; Q116-M118 PolarHBondContact O-N 2.96Å; Q116-A119 PolarHBondContact O-N 2.98Å; Q116-S120 WeakPolarHBondContact O-CB 3.47Å; Q116-S120 PolarHBondContact O-N 3.36Å; Q116-M150 HydrophobicContact CB-CE 3.81Å; Q116-M150 HydrophobicContact CB-SD 3.9Å; Q116-M150 HydrophobicContact CG-SD 4.15Å |
| 117 | I | 95.5 | Very high | 93.5 | Very high | 35 Ų | 35 | 38 Ų | 38 | 18% | 0.179 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 175.4 | -67.4 | 169.4 | 0 | 0 | 0 | 110.6 | V113 K121 A163 V164 A167 | V113-I117 HydrophobicContact CG1-CD1 3.75Å; V113-I117 WeakPolarHBondContact O-CB 3.43Å; V113-I117 VanDerWaalsContact O-CG1 3.27Å; V113-I117 WeakPolarHBondContact O-CG1 3.17Å; V113-I117 PolarHBondContact O-N 3Å; I117-K121 HydrophobicContact CG2-CD 4.1Å; I117-K121 WeakPolarHBondContact O-CB 3.1Å; I117-K121 WeakPolarHBondContact O-CG 3.19Å; I117-K121 PolarHBondContact O-N 3.02Å; I117-A163 HydrophobicContact CD1-CB 3.99Å; I117-V164 HydrophobicContact CD1-CG2 4.47Å; I117-A167 HydrophobicContact CG1-CB 4.06Å |
| 118 | M | 95.4 | Very high | 93.1 | Very high | 56 Ų | 56 | 42.7 Ų | 42.7 | 28% | 0.276 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 176.5 | -174.7 | -178.3 | -56.5 | 0 | 0 | 112 | V79 D114 L115 Q116 S122 | V79-M118 HydrophobicContact CB-SD 4.34Å; V79-M118 HydrophobicContact CG1-CG 4.39Å; V79-M118 HydrophobicContact CG2-SD 4.23Å; D114-M118 WeakPolarHBondContact O-CB 3.29Å; D114-M118 PolarHBondContact O-N 2.96Å; D114-M118 VanDerWaalsContact O-N 3.09Å; L115-M118 PolarHBondContact O-N 3.4Å; Q116-M118 VanDerWaalsContact C-N 3.34Å; Q116-M118 PolarHBondContact O-N 2.96Å; M118-S122 WeakPolarHBondContact O-CB 3.15Å; M118-S122 PolarHBondContact O-N 3.47Å |
| 119 | A | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.8 | -46.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I104 L107 L108 L115 Q116 S122 F123 | I104-A119 HydrophobicContact CD1-CB 4.28Å; I104-A119 HydrophobicContact CG2-CB 4.39Å; L107-A119 HydrophobicContact CB-CB 3.67Å; L107-A119 HydrophobicContact CD1-CB 3.97Å; L107-A119 HydrophobicContact CG-CB 4.49Å; L108-A119 HydrophobicContact CD2-CB 3.78Å; L108-A119 HydrophobicContact CG-CB 4.01Å; L115-A119 VanDerWaalsContact O-CB 3.3Å; L115-A119 WeakPolarHBondContact O-CB 3.48Å; L115-A119 PolarHBondContact O-N 3.33Å; Q116-A119 PolarHBondContact O-N 2.98Å; A119-S122 PolarHBondContact O-N 3.11Å; A119-F123 WeakPolarHBondContact O-CB 3.46Å; A119-F123 PolarHBondContact O-N 3.44Å |
| 120 | S | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.6 | -51.6 | 175.5 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | Q116 S122 F123 V124 A167 | Q116-S120 WeakPolarHBondContact O-CB 3.47Å; Q116-S120 PolarHBondContact O-N 3.36Å; S120-S122 VanDerWaalsContact C-N 3.35Å; S120-S122 PolarHBondContact O-N 3.42Å; S120-F123 PolarHBondContact O-N 3.1Å; S120-F123 VanDerWaalsContact O-N 3.16Å; S120-V124 WeakPolarHBondContact O-CB 3.26Å; S120-V124 VanDerWaalsContact O-CG2 3.25Å; S120-V124 WeakPolarHBondContact O-CG2 3.42Å; S120-V124 PolarHBondContact O-N 2.83Å; S120-A167 WeakPolarHBondContact CB-O 3.48Å; S120-A167 PolarHBondContact OG-O 2.7Å |
| 121 | K | 96.3 | Very high | 91 | Very high | 129 Ų | 129 | 46.4 Ų | 46.4 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -57.5 | -45.8 | 179 | -74.1 | 177.8 | 179.3 | -178.9 | 0 | 112.7 | I117 V124 E125 | I117-K121 HydrophobicContact CG2-CD 4.1Å; I117-K121 WeakPolarHBondContact O-CB 3.1Å; I117-K121 WeakPolarHBondContact O-CG 3.19Å; I117-K121 PolarHBondContact O-N 3.02Å; K121-V124 PolarHBondContact O-N 3.27Å; K121-E125 PolarHBondContact O-N 3.29Å; K121-E125 VanDerWaalsContact O-N 3.11Å |
| 122 | S | 96 | Very high | 89.9 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | 178 | 166.5 | 0 | 0 | 0 | 0 | 111.5 | D83 F100 M118 A119 S120 E125 F126 | D83-S122 PolarHBondContact OD1-OG 2.91Å; F100-S122 WeakPolarHBondContact CE2-OG 3.28Å; M118-S122 WeakPolarHBondContact O-CB 3.15Å; M118-S122 PolarHBondContact O-N 3.47Å; A119-S122 PolarHBondContact O-N 3.11Å; S120-S122 VanDerWaalsContact C-N 3.35Å; S120-S122 PolarHBondContact O-N 3.42Å; S122-E125 PolarHBondContact O-N 3.06Å; S122-F126 PolarHBondContact O-N 2.89Å |
| 123 | F | 94.9 | Very high | 88 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 175.8 | 179.3 | -96.5 | 0 | 0 | 0 | 113.2 | F100 L101 I104 A119 S120 E125 F126 S127 F147 V175 | F100-F123 HydrophobicContact CE1-CD2 4.3Å; L101-F123 HydrophobicContact CD2-CD2 3.94Å; L101-F123 HydrophobicContact CD2-CE2 3.67Å; I104-F123 HydrophobicContact CG1-CB 4.46Å; I104-F123 HydrophobicContact CG2-CB 4.23Å; I104-F123 HydrophobicContact CG2-CD2 4.47Å; A119-F123 WeakPolarHBondContact O-CB 3.46Å; A119-F123 PolarHBondContact O-N 3.44Å; S120-F123 PolarHBondContact O-N 3.1Å; S120-F123 VanDerWaalsContact O-N 3.16Å; F123-E125 VanDerWaalsContact C-N 3.34Å; F123-E125 PolarHBondContact O-N 2.81Å; F123-F126 HydrophobicContact CD2-CD1 4.19Å; F123-F126 HydrophobicContact CE2-CD1 4.19Å; F123-F126 CarbonylContact O-C 3.41Å; F123-F126 WeakPolarHBondContact O-CB 3.39Å; F123-F126 PolarHBondContact O-N 3.37Å; F123-S127 PolarHBondContact O-N 3.29Å; F123-F147 HydrophobicContact CB-CZ 3.99Å; F123-F147 AromaticContact CD1-CE2 3.4Å; F123-F147 HydrophobicContact CD1-CE2 3.4Å; F123-F147 AromaticContact CD1-CZ 3.59Å; F123-F147 HydrophobicContact CD1-CZ 3.59Å; F123-F147 AromaticContact CE1-CE2 3.6Å; F123-F147 HydrophobicContact CE1-CE2 3.6Å; F123-F147 HydrophobicContact CE1-CZ 4.27Å; F123-F147 AromaticContact CG-CE2 3.95Å; F123-F147 HydrophobicContact CG-CE2 3.95Å; F123-F147 AromaticContact CG-CZ 3.85Å; F123-F147 HydrophobicContact CG-CZ 3.85Å; F123-F147 HydrophobicContact CZ-CE2 4.31Å; F123-V175 HydrophobicContact CE1-CB 4.47Å; F123-V175 HydrophobicContact CE1-CG2 3.64Å; F123-V175 HydrophobicContact CZ-CB 4.48Å; F123-V175 HydrophobicContact CZ-CG2 3.63Å |
| 124 | V | 93.3 | Very high | 86.5 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 9% | 0.085 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 176.9 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | S120 K121 S127 K128 Q170 | S120-V124 WeakPolarHBondContact O-CB 3.26Å; S120-V124 VanDerWaalsContact O-CG2 3.25Å; S120-V124 WeakPolarHBondContact O-CG2 3.42Å; S120-V124 PolarHBondContact O-N 2.83Å; K121-V124 PolarHBondContact O-N 3.27Å; V124-S127 WeakPolarHBondContact O-CB 2.98Å; V124-S127 PolarHBondContact O-N 3.01Å; V124-S127 PolarHBondContact O-OG 3.15Å; V124-K128 WeakPolarHBondContact O-CG 3.49Å; V124-K128 PolarHBondContact O-N 3.4Å; V124-Q170 HydrophobicContact CG2-CB 3.95Å; V124-Q170 WeakPolarHBondContact CG2-O 3.5Å |
| 125 | E | 93.5 | Very high | 85.1 | Confident | 93 Ų | 93 | 53 Ų | 53 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 174.1 | -69 | -54.6 | 127.4 | 0 | 0 | 112.4 | K121 S122 F123 S127 K128 | K121-E125 PolarHBondContact O-N 3.29Å; K121-E125 VanDerWaalsContact O-N 3.11Å; S122-E125 PolarHBondContact O-N 3.06Å; F123-E125 VanDerWaalsContact C-N 3.34Å; F123-E125 PolarHBondContact O-N 2.81Å; E125-S127 VanDerWaalsContact C-N 3.28Å; E125-S127 PolarHBondContact O-N 2.91Å; E125-K128 PolarHBondContact O-N 2.85Å; E125-K128 IonicContact OE1-NZ 3.63Å; E125-K128 PolarHBondContact OE1-NZ 2.68Å; E125-K128 IonicContact OE2-NZ 2.99Å |
| 126 | F | 91.6 | Very high | 84.2 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 2% | 0.022 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.7 | -38.7 | 171.8 | 167.5 | -105.5 | 0 | 0 | 0 | 112.4 | I86 A97 F100 L101 S122 F123 K128 I129 Y136 K178 | I86-F126 HydrophobicContact CD1-CD2 4.21Å; I86-F126 HydrophobicContact CG2-CD2 3.78Å; I86-F126 HydrophobicContact CG2-CE2 4.22Å; A97-F126 HydrophobicContact CB-CE2 3.96Å; A97-F126 HydrophobicContact CB-CZ 3.87Å; F100-F126 HydrophobicContact CD1-CD1 4.18Å; F100-F126 HydrophobicContact CD1-CD2 4.28Å; F100-F126 HydrophobicContact CD1-CE1 4.47Å; F100-F126 HydrophobicContact CD1-CG 4.06Å; F100-F126 HydrophobicContact CE1-CB 3.56Å; F100-F126 AromaticContact CE1-CD1 3.62Å; F100-F126 HydrophobicContact CE1-CD1 3.62Å; F100-F126 HydrophobicContact CE1-CD2 4.09Å; F100-F126 HydrophobicContact CE1-CE1 4.32Å; F100-F126 AromaticContact CE1-CG 3.46Å; F100-F126 HydrophobicContact CE1-CG 3.46Å; F100-F126 VanDerWaalsContact CE1-CG 3.46Å; F100-F126 HydrophobicContact CZ-CB 3.67Å; F100-F126 HydrophobicContact CZ-CG 4.1Å; L101-F126 HydrophobicContact CD2-CD1 4.4Å; L101-F126 HydrophobicContact CD2-CE1 3.98Å; S122-F126 PolarHBondContact O-N 2.89Å; F123-F126 HydrophobicContact CD2-CD1 4.19Å; F123-F126 HydrophobicContact CE2-CD1 4.19Å; F123-F126 CarbonylContact O-C 3.41Å; F123-F126 WeakPolarHBondContact O-CB 3.39Å; F123-F126 PolarHBondContact O-N 3.37Å; F126-K128 PolarHBondContact O-N 3.49Å; F126-I129 WeakPolarHBondContact O-CB 3.44Å; F126-I129 PolarHBondContact O-N 2.71Å; F126-Y136 HydrophobicContact CE1-CD2 4.42Å; F126-Y136 HydrophobicContact CE1-CE2 4.34Å; F126-Y136 HydrophobicContact CZ-CD2 4.11Å; F126-Y136 AromaticContact CZ-CE2 3.62Å; F126-Y136 HydrophobicContact CZ-CE2 3.62Å; F126-K178 WeakPolarHBondContact O-CE 3.42Å |
| 127 | S | 88.4 | Confident | 83.1 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -25.6 | -178.6 | 79.6 | 0 | 0 | 0 | 0 | 113.6 | F123 V124 E125 I129 G174 R177 K178 | F123-S127 PolarHBondContact O-N 3.29Å; V124-S127 WeakPolarHBondContact O-CB 2.98Å; V124-S127 PolarHBondContact O-N 3.01Å; V124-S127 PolarHBondContact O-OG 3.15Å; E125-S127 VanDerWaalsContact C-N 3.28Å; E125-S127 PolarHBondContact O-N 2.91Å; S127-I129 VanDerWaalsContact C-N 3.27Å; S127-I129 PolarHBondContact O-N 3.17Å; S127-G174 VanDerWaalsContact CB-O 3.32Å; S127-G174 WeakPolarHBondContact CB-O 3.49Å; S127-G174 WeakPolarHBondContact OG-CA 3.33Å; S127-R177 WeakPolarHBondContact O-CD 3.35Å; S127-K178 WeakPolarHBondContact O-CE 3.44Å |
| 128 | K | 88.7 | Confident | 82.4 | Confident | 99 Ų | 99 | 60 Ų | 60 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -10.3 | 179.7 | -65.9 | 172.8 | -172.4 | 175 | 0 | 114 | V124 E125 F126 | V124-K128 WeakPolarHBondContact O-CG 3.49Å; V124-K128 PolarHBondContact O-N 3.4Å; E125-K128 PolarHBondContact O-N 2.85Å; E125-K128 IonicContact OE1-NZ 3.63Å; E125-K128 PolarHBondContact OE1-NZ 2.68Å; E125-K128 IonicContact OE2-NZ 2.99Å; F126-K128 PolarHBondContact O-N 3.49Å |
| 129 | I | 86.5 | Confident | 81.9 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -86.7 | 117.1 | -175 | -59.9 | 175.9 | 0 | 0 | 0 | 109 | I86 Q87 R93 F126 S127 K178 | I86-I129 HydrophobicContact CG2-CD1 3.71Å; Q87-I129 HydrophobicContact CG-CD1 4.35Å; R93-I129 VanDerWaalsContact NH1-CG2 3.31Å; F126-I129 WeakPolarHBondContact O-CB 3.44Å; F126-I129 PolarHBondContact O-N 2.71Å; S127-I129 VanDerWaalsContact C-N 3.27Å; S127-I129 PolarHBondContact O-N 3.17Å; I129-K178 PolarHBondContact O-NZ 3.24Å |
| 130 | D | 75.7 | Confident | 81.3 | Confident | 152 Ų | 152 | 59.2 Ų | 59.2 | 81% | 0.813 | 30% | 0.303 | S | S | * | . | trans | -67.5 | 133 | 174.1 | -63.8 | -34.4 | 0 | 0 | 0 | 111.1 | R93 | R93-D130 PolarHBondContact NH1-O 2.93Š| ||
| 131 | D | 72 | Confident | 80.6 | Confident | 30 Ų | 30 | 61.5 Ų | 61.5 | 16% | 0.16 | 32% | 0.315 | C | S | . | . | trans | -128 | 122.7 | -176.5 | -77.9 | -36 | 0 | 0 | 0 | 108.5 | R93 S133 P134 K178 | R93-D131 WeakPolarHBondContact CD-OD1 3.48Å; R93-D131 IonicContact CZ-OD1 2.72Å; R93-D131 IonicContact NE-OD1 3.68Å; R93-D131 IonicContact NH1-OD1 3.79Å; R93-D131 PolarHBondContact NH1-OD1 3.17Å; D131-S133 PolarHBondContact O-N 2.83Å; D131-S133 VanDerWaalsContact O-N 3.14Å; D131-P134 HydrophobicContact CB-CB 4.2Å; D131-P134 HydrophobicContact CB-CG 3.54Å; D131-P134 WeakPolarHBondContact O-CD 3.25Å; D131-K178 IonicContact OD2-NZ 3.85Å; D131-K178 PolarHBondContact OD2-NZ 3.27Å | ||
| 132 | D | 60.6 | Low | 80 | Confident | 171 Ų | 171 | 58.6 Ų | 58.6 | 91% | 0.914 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -69.1 | -11.7 | -175.3 | -66.7 | -42.2 | 0 | 0 | 0 | 114 | ||
| 133 | S | 51.5 | Low | 79.8 | Confident | 108 Ų | 108 | 58.2 Ų | 58.2 | 76% | 0.755 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -169.1 | 82.3 | 178.6 | -71.2 | 0 | 0 | 0 | 0 | 114.1 | D131 | D131-S133 PolarHBondContact O-N 2.83Å; D131-S133 VanDerWaalsContact O-N 3.14Å |
| 134 | P | 61.2 | Low | 79.6 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 17% | 0.169 | 30% | 0.301 | C | S | . | . | trans | -120.2 | 121.1 | 171.4 | 38.1 | -30.4 | 0 | 0 | 0 | 115.7 | D131 Y136 | D131-P134 HydrophobicContact CB-CB 4.2Å; D131-P134 HydrophobicContact CB-CG 3.54Å; D131-P134 WeakPolarHBondContact O-CD 3.25Å; P134-Y136 HydrophobicContact CB-CD1 4.38Å; P134-Y136 HydrophobicContact CB-CD2 3.48Å; P134-Y136 VanDerWaalsContact CB-CD2 3.48Å; P134-Y136 HydrophobicContact CB-CE1 4.04Å; P134-Y136 HydrophobicContact CB-CE2 3.06Å; P134-Y136 HydrophobicContact CB-CG 4.1Å; P134-Y136 HydrophobicContact CG-CD2 4.13Å; P134-Y136 HydrophobicContact CG-CE2 3.8Å; P134-Y136 PolarHBondContact O-N 2.85Å | ||
| 135 | N | 63.8 | Low | 79.4 | Confident | 134 Ų | 134 | 61.2 Ų | 61.2 | 72% | 0.717 | 32% | 0.317 | S | S | * | . | trans | -93.6 | 69.6 | 166.1 | -70.5 | -11 | 0 | 0 | 0 | 110.6 | H137 | N135-H137 VanDerWaalsContact C-N 3.25Å; N135-H137 PolarHBondContact O-N 3.33Å | ||
| 136 | Y | 75.5 | Confident | 79.5 | Confident | 11 Ų | 11 | 59 Ų | 59 | 4% | 0.043 | 31% | 0.306 | C | S | . | . | trans | -85.1 | 10.3 | 176.7 | -55.9 | -50.7 | 0 | 0 | 0 | 113.6 | L94 A97 L101 F126 P134 K138 E139 C140 | L94-Y136 HydrophobicContact CD1-CE1 3.8Å; A97-Y136 HydrophobicContact CB-CD1 4.33Å; A97-Y136 HydrophobicContact CB-CE1 3.37Å; A97-Y136 HydrophobicContact CB-CE2 4.41Å; A97-Y136 VanDerWaalsContact CB-CZ 3.45Å; A97-Y136 VanDerWaalsContact CB-OH 3.29Å; A97-Y136 WeakPolarHBondContact CB-OH 3.39Å; L101-Y136 HydrophobicContact CD1-CD1 3.85Å; L101-Y136 HydrophobicContact CD1-CG 3.94Å; F126-Y136 HydrophobicContact CE1-CD2 4.42Å; F126-Y136 HydrophobicContact CE1-CE2 4.34Å; F126-Y136 HydrophobicContact CZ-CD2 4.11Å; F126-Y136 AromaticContact CZ-CE2 3.62Å; F126-Y136 HydrophobicContact CZ-CE2 3.62Å; P134-Y136 HydrophobicContact CB-CD1 4.38Å; P134-Y136 HydrophobicContact CB-CD2 3.48Å; P134-Y136 VanDerWaalsContact CB-CD2 3.48Å; P134-Y136 HydrophobicContact CB-CE1 4.04Å; P134-Y136 HydrophobicContact CB-CE2 3.06Å; P134-Y136 HydrophobicContact CB-CG 4.1Å; P134-Y136 HydrophobicContact CG-CD2 4.13Å; P134-Y136 HydrophobicContact CG-CE2 3.8Å; P134-Y136 PolarHBondContact O-N 2.85Å; Y136-K138 VanDerWaalsContact C-N 3.28Å; Y136-K138 PolarHBondContact O-N 3.23Å; Y136-K138 VanDerWaalsContact O-N 3.16Å; Y136-E139 PolarHBondContact O-N 3.38Å; Y136-C140 WeakPolarHBondContact O-CB 3.27Å; Y136-C140 PolarHBondContact O-N 2.85Å; Y136-C140 PolarHBondContact O-SG 3.34Å | ||
| 137 | H | 72.8 | Confident | 79.7 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.1 | -41.5 | -166.6 | -54.7 | -61.1 | 0 | 0 | 0 | 113.8 | N135 N141 I185 | N135-H137 VanDerWaalsContact C-N 3.25Å; N135-H137 PolarHBondContact O-N 3.33Å; H137-N141 VanDerWaalsContact O-CB 3.23Å; H137-N141 WeakPolarHBondContact O-CB 3.41Å; H137-N141 PolarHBondContact O-N 3.38Å; H137-I185 WeakPolarHBondContact CE1-CD1 3.45Å; H137-I185 WeakPolarHBondContact NE2-CD1 3.49Å |
| 138 | K | 80.1 | Confident | 80 | Confident | 142 Ų | 142 | 59.1 Ų | 59.1 | 62% | 0.617 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.9 | -53.6 | -179.1 | -178.1 | 179.9 | 174.1 | 179.4 | 0 | 110.6 | Y136 C140 N141 E142 | Y136-K138 VanDerWaalsContact C-N 3.28Å; Y136-K138 PolarHBondContact O-N 3.23Å; Y136-K138 VanDerWaalsContact O-N 3.16Å; K138-C140 PolarHBondContact O-N 2.9Å; K138-N141 PolarHBondContact O-N 3.21Å; K138-E142 WeakPolarHBondContact CE-OE1 3.43Å; K138-E142 WeakPolarHBondContact O-CG 3.45Å; K138-E142 PolarHBondContact O-N 2.99Å |
| 139 | E | 83.8 | Confident | 80.3 | Confident | 36 Ų | 36 | 57.5 Ų | 57.5 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.2 | -39.4 | -179.9 | -67.9 | 82 | 177.2 | 0 | 0 | 112 | L101 Y136 E142 I143 | L101-E139 HydrophobicContact CB-CB 3.91Å; L101-E139 HydrophobicContact CB-CG 4.29Å; L101-E139 HydrophobicContact CD1-CB 3.56Å; L101-E139 HydrophobicContact CD1-CG 4.2Å; L101-E139 HydrophobicContact CG-CB 4.32Å; Y136-E139 PolarHBondContact O-N 3.38Å; E139-E142 PolarHBondContact O-N 2.93Å; E139-I143 WeakPolarHBondContact O-CG1 3.21Å; E139-I143 PolarHBondContact O-N 3.36Å |
| 140 | C | 84.1 | Confident | 80.7 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.02 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 175.2 | -75.1 | 0 | 0 | 0 | 0 | 112.2 | Y136 K138 I143 L144 V175 M179 | Y136-C140 WeakPolarHBondContact O-CB 3.27Å; Y136-C140 PolarHBondContact O-N 2.85Å; Y136-C140 PolarHBondContact O-SG 3.34Å; K138-C140 PolarHBondContact O-N 2.9Å; C140-I143 PolarHBondContact O-N 3.44Å; C140-L144 WeakPolarHBondContact O-CB 3.47Å; C140-L144 PolarHBondContact O-N 2.91Å; C140-V175 HydrophobicContact CB-CG1 4.3Å; C140-M179 HydrophobicContact CB-CE 3.87Å |
| 141 | N | 81.7 | Confident | 81.7 | Confident | 47 Ų | 47 | 49 Ų | 49 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.5 | -39.1 | 175.6 | -169.5 | 14.8 | 0 | 0 | 0 | 111.7 | H137 K138 I143 L144 M179 K195 | H137-N141 VanDerWaalsContact O-CB 3.23Å; H137-N141 WeakPolarHBondContact O-CB 3.41Å; H137-N141 PolarHBondContact O-N 3.38Å; K138-N141 PolarHBondContact O-N 3.21Å; N141-I143 VanDerWaalsContact C-N 3.32Å; N141-I143 PolarHBondContact O-N 2.85Å; N141-L144 PolarHBondContact O-N 3.46Å; N141-M179 HydrophobicContact CB-CE 4.49Å; N141-K195 PolarHBondContact OD1-NZ 2.89Å |
| 142 | E | 84.2 | Confident | 82.7 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 32% | 0.318 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.4 | -37 | 174.7 | -71.5 | 171.3 | -176.6 | 0 | 0 | 112.1 | K138 E139 H146 | K138-E142 WeakPolarHBondContact CE-OE1 3.43Å; K138-E142 WeakPolarHBondContact O-CG 3.45Å; K138-E142 PolarHBondContact O-N 2.99Å; E139-E142 PolarHBondContact O-N 2.93Å; E142-H146 PolarHBondContact O-ND1 3.26Å |
| 143 | I | 91.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -76.5 | -33.7 | 176.8 | -71.2 | 166.5 | 0 | 0 | 0 | 112.1 | L101 I104 Q105 L108 E139 C140 N141 D145 H146 F147 | L101-I143 HydrophobicContact CB-CD1 3.93Å; L101-I143 HydrophobicContact CD2-CD1 3.71Å; L101-I143 HydrophobicContact CG-CD1 4.4Å; I104-I143 HydrophobicContact CB-CD1 4.28Å; I104-I143 HydrophobicContact CG2-CD1 4.03Å; I104-I143 HydrophobicContact CG2-CG1 4.45Å; I104-I143 HydrophobicContact CG2-CG2 4.36Å; Q105-I143 HydrophobicContact CB-CG1 4.2Å; L108-I143 HydrophobicContact CD1-CG2 3.73Å; E139-I143 WeakPolarHBondContact O-CG1 3.21Å; E139-I143 PolarHBondContact O-N 3.36Å; C140-I143 PolarHBondContact O-N 3.44Å; N141-I143 VanDerWaalsContact C-N 3.32Å; N141-I143 PolarHBondContact O-N 2.85Å; I143-D145 VanDerWaalsContact C-N 3.28Å; I143-D145 PolarHBondContact O-N 3.12Å; I143-H146 WeakPolarHBondContact O-CB 3.43Å; I143-H146 PolarHBondContact O-N 2.9Å; I143-F147 HydrophobicContact CG2-CD2 3.52Å; I143-F147 HydrophobicContact CG2-CE2 3.12Å; I143-F147 HydrophobicContact CG2-CG 4.41Å; I143-F147 HydrophobicContact CG2-CZ 3.74Å; I143-F147 PolarHBondContact O-N 2.58Å; I143-F147 VanDerWaalsContact O-N 3.13Å |
| 144 | L | 91.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.2 | -41.8 | -178.7 | 178.2 | 58.5 | 0 | 0 | 0 | 112.2 | C140 N141 H146 F147 A148 I172 V175 K195 I196 | C140-L144 WeakPolarHBondContact O-CB 3.47Å; C140-L144 PolarHBondContact O-N 2.91Å; N141-L144 PolarHBondContact O-N 3.46Å; L144-H146 PolarHBondContact O-N 3.35Å; L144-F147 PolarHBondContact O-N 2.84Å; L144-A148 WeakPolarHBondContact O-CB 3.38Å; L144-A148 PolarHBondContact O-N 2.99Å; L144-I172 HydrophobicContact CD1-CG1 4.12Å; L144-V175 HydrophobicContact CB-CG1 4.36Å; L144-V175 HydrophobicContact CD1-CB 4.43Å; L144-V175 HydrophobicContact CD1-CG1 4.26Å; L144-V175 HydrophobicContact CD2-CG1 4.48Å; L144-K195 HydrophobicContact CD2-CB 3.82Å; L144-K195 HydrophobicContact CD2-CD 4.01Å; L144-K195 HydrophobicContact CG-CB 4.04Å; L144-K195 HydrophobicContact CG-CD 4.38Å; L144-I196 HydrophobicContact CD1-CG1 3.87Å; L144-I196 HydrophobicContact CD2-CD1 4.19Å; L144-I196 HydrophobicContact CD2-CG1 4Å |
| 145 | D | 90.3 | Very high | 87.5 | Confident | 77 Ų | 77 | 44.2 Ų | 44.2 | 41% | 0.412 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.8 | -36.7 | 177.4 | -70.5 | -29.9 | 0 | 0 | 0 | 112.1 | I143 A149 K195 | I143-D145 VanDerWaalsContact C-N 3.28Å; I143-D145 PolarHBondContact O-N 3.12Å; D145-A149 WeakPolarHBondContact O-CB 3.36Å; D145-A149 PolarHBondContact O-N 3.47Å; D145-K195 VanDerWaalsContact CG-NZ 3.28Å; D145-K195 VanDerWaalsContact OD1-CD 3.23Å; D145-K195 WeakPolarHBondContact OD1-CD 3.3Å; D145-K195 WeakPolarHBondContact OD1-CE 3.43Å; D145-K195 IonicContact OD1-NZ 3.67Å; D145-K195 PolarHBondContact OD1-NZ 3.34Å; D145-K195 IonicContact OD2-NZ 3.11Å; D145-K195 PolarHBondContact OD2-NZ 3.31Å; D145-K195 VanDerWaalsContact OD2-NZ 3.09Å |
| 146 | H | 94.2 | Very high | 88.8 | Confident | 46 Ų | 46 | 44 Ų | 44 | 21% | 0.213 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74.2 | -40.4 | 178.6 | -64.1 | 85.1 | 0 | 0 | 0 | 112.2 | L108 E109 E142 I143 L144 A149 M150 | L108-H146 HydrophobicContact CB-CB 3.81Å; L108-H146 HydrophobicContact CD1-CB 3.94Å; L108-H146 HydrophobicContact CG-CB 4.41Å; E109-H146 WeakPolarHBondContact CG-NE2 3.33Å; E142-H146 PolarHBondContact O-ND1 3.26Å; I143-H146 WeakPolarHBondContact O-CB 3.43Å; I143-H146 PolarHBondContact O-N 2.9Å; L144-H146 PolarHBondContact O-N 3.35Å; H146-A149 PolarHBondContact O-N 2.85Å; H146-M150 WeakPolarHBondContact O-CG 3.5Å; H146-M150 PolarHBondContact O-N 2.81Å |
| 147 | F | 96 | Very high | 89.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 175.3 | -70.5 | -42.9 | 0 | 0 | 0 | 112.4 | L108 F123 I143 L144 M150 A151 G168 G171 I172 V175 | L108-F147 HydrophobicContact CD1-CD1 4.25Å; L108-F147 HydrophobicContact CD1-CE1 3.8Å; L108-F147 HydrophobicContact CD1-CZ 3.96Å; L108-F147 HydrophobicContact CD2-CD1 4.24Å; L108-F147 HydrophobicContact CD2-CE1 3.8Å; L108-F147 HydrophobicContact CG-CE1 4.47Å; F123-F147 HydrophobicContact CB-CZ 3.99Å; F123-F147 AromaticContact CD1-CE2 3.4Å; F123-F147 HydrophobicContact CD1-CE2 3.4Å; F123-F147 AromaticContact CD1-CZ 3.59Å; F123-F147 HydrophobicContact CD1-CZ 3.59Å; F123-F147 AromaticContact CE1-CE2 3.6Å; F123-F147 HydrophobicContact CE1-CE2 3.6Å; F123-F147 HydrophobicContact CE1-CZ 4.27Å; F123-F147 AromaticContact CG-CE2 3.95Å; F123-F147 HydrophobicContact CG-CE2 3.95Å; F123-F147 AromaticContact CG-CZ 3.85Å; F123-F147 HydrophobicContact CG-CZ 3.85Å; F123-F147 HydrophobicContact CZ-CE2 4.31Å; I143-F147 HydrophobicContact CG2-CD2 3.52Å; I143-F147 HydrophobicContact CG2-CE2 3.12Å; I143-F147 HydrophobicContact CG2-CG 4.41Å; I143-F147 HydrophobicContact CG2-CZ 3.74Å; I143-F147 PolarHBondContact O-N 2.58Å; I143-F147 VanDerWaalsContact O-N 3.13Å; L144-F147 PolarHBondContact O-N 2.84Å; F147-M150 HydrophobicContact CD1-SD 3.98Å; F147-M150 HydrophobicContact CE1-SD 4.46Å; F147-M150 WeakPolarHBondContact O-CB 3.29Å; F147-M150 PolarHBondContact O-N 3.03Å; F147-A151 PolarHBondContact O-N 2.7Å; F147-G168 WeakPolarHBondContact O-CA 3.47Å; F147-G171 VanDerWaalsContact CD2-C 3.42Å; F147-I172 HydrophobicContact CB-CG1 3.93Å; F147-V175 HydrophobicContact CD2-CG2 3.89Å; F147-V175 HydrophobicContact CE2-CG2 4.08Å |
| 148 | A | 94.6 | Very high | 90.2 | Very high | 12 Ų | 12 | 46 Ų | 46 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L144 M150 A151 H152 P199 | L144-A148 WeakPolarHBondContact O-CB 3.38Å; L144-A148 PolarHBondContact O-N 2.99Å; A148-M150 VanDerWaalsContact C-N 3.34Å; A148-M150 PolarHBondContact O-N 3.27Å; A148-A151 PolarHBondContact O-N 3.45Å; A148-H152 PolarHBondContact O-CD2 3.07Å; A148-H152 VanDerWaalsContact O-CD2 3.26Å; A148-H152 PolarHBondContact O-N 2.92Å; A148-H152 VanDerWaalsContact O-N 3.13Å; A148-P199 HydrophobicContact CB-CG 3.78Å |
| 149 | A | 94.7 | Very high | 90.6 | Very high | 65 Ų | 65 | 45.3 Ų | 45.3 | 54% | 0.537 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D145 H146 H152 A153 | D145-A149 WeakPolarHBondContact O-CB 3.36Å; D145-A149 PolarHBondContact O-N 3.47Å; H146-A149 PolarHBondContact O-N 2.85Å; A149-H152 CarbonylContact O-C 3.4Å; A149-H152 PolarHBondContact O-N 2.81Å; A149-A153 PolarHBondContact O-N 2.98Å |
| 150 | M | 96.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 173.8 | -73.2 | 173.4 | 59.7 | 0 | 0 | 112.4 | L108 Q116 H146 F147 A148 H152 A153 V164 R165 A167 | L108-M150 HydrophobicContact CD2-SD 3.51Å; L108-M150 VanDerWaalsContact CD2-SD 3.51Å; Q116-M150 HydrophobicContact CB-CE 3.81Å; Q116-M150 HydrophobicContact CB-SD 3.9Å; Q116-M150 HydrophobicContact CG-SD 4.15Å; H146-M150 WeakPolarHBondContact O-CG 3.5Å; H146-M150 PolarHBondContact O-N 2.81Å; F147-M150 HydrophobicContact CD1-SD 3.98Å; F147-M150 HydrophobicContact CE1-SD 4.46Å; F147-M150 WeakPolarHBondContact O-CB 3.29Å; F147-M150 PolarHBondContact O-N 3.03Å; A148-M150 VanDerWaalsContact C-N 3.34Å; A148-M150 PolarHBondContact O-N 3.27Å; M150-H152 PolarHBondContact O-N 2.76Å; M150-A153 WeakPolarHBondContact O-CB 2.99Å; M150-A153 PolarHBondContact O-N 3.49Å; M150-V164 HydrophobicContact CB-CG1 3.92Å; M150-V164 HydrophobicContact CE-CG1 4.27Å; M150-V164 HydrophobicContact CG-CG1 4.06Å; M150-R165 WeakPolarHBondContact O-CA 2.87Å; M150-A167 HydrophobicContact CE-CB 3.71Å |
| 151 | A | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -22.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F147 A148 R165 I169 I172 P199 N203 | F147-A151 PolarHBondContact O-N 2.7Å; A148-A151 PolarHBondContact O-N 3.45Å; A151-R165 WeakPolarHBondContact O-CG 2.95Å; A151-I169 HydrophobicContact CB-CG1 4.1Å; A151-I172 HydrophobicContact CB-CD1 4.16Å; A151-P199 HydrophobicContact CB-CB 3.66Å; A151-N203 PolarHBondContact O-ND2 3.23Å |
| 152 | H | 94.7 | Very high | 91.9 | Very high | 66 Ų | 66 | 48 Ų | 48 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 12.9 | 171.5 | -72.2 | -69 | 0 | 0 | 0 | 114.3 | A148 A149 M150 S154 P199 F202 | A148-H152 PolarHBondContact O-CD2 3.07Å; A148-H152 VanDerWaalsContact O-CD2 3.26Å; A148-H152 PolarHBondContact O-N 2.92Å; A148-H152 VanDerWaalsContact O-N 3.13Å; A149-H152 CarbonylContact O-C 3.4Å; A149-H152 PolarHBondContact O-N 2.81Å; M150-H152 PolarHBondContact O-N 2.76Å; H152-S154 PolarHBondContact O-N 3.12Å; H152-S154 PolarHBondContact O-OG 3.19Å; H152-P199 WeakPolarHBondContact NE2-CA 3.34Å; H152-F202 VanDerWaalsContact CE1-CB 3.43Å; H152-F202 WeakPolarHBondContact CE1-CB 3.34Å; H152-F202 AromaticContact CE1-CD1 3.85Å; H152-F202 AromaticContact CE1-CG 3.51Å; H152-F202 AromaticContact ND1-CD1 3.27Å; H152-F202 VanDerWaalsContact ND1-CD1 3.27Å; H152-F202 WeakPolarHBondContact ND1-CD1 3.46Å; H152-F202 AromaticContact ND1-CD2 3.8Å; H152-F202 AromaticContact ND1-CE1 3.73Å; H152-F202 AromaticContact ND1-CG 3.31Å; H152-F202 VanDerWaalsContact ND1-CG 3.31Å; H152-F202 WeakPolarHBondContact ND1-CG 3.29Å |
| 153 | A | 92.8 | Very high | 92.3 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 12% | 0.124 | 27% | 0.267 | C | S | . | . | trans | -56.4 | 134 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A149 M150 R161 V164 R165 | A149-A153 PolarHBondContact O-N 2.98Å; M150-A153 WeakPolarHBondContact O-CB 2.99Å; M150-A153 PolarHBondContact O-N 3.49Å; A153-R161 WeakPolarHBondContact O-CG 3.42Å; A153-V164 HydrophobicContact CB-CB 4.19Å; A153-V164 HydrophobicContact CB-CG1 3.66Å; A153-R165 HydrophobicContact CB-CG 4.22Å; A153-R165 PolarHBondContact O-NE 3.13Å; A153-R165 PolarHBondContact O-NH2 2.65Å; A153-R165 VanDerWaalsContact O-NH2 3.16Å | ||
| 154 | S | 90.5 | Very high | 92.5 | Very high | 101 Ų | 101 | 46.2 Ų | 46.2 | 71% | 0.706 | 27% | 0.268 | S | S | * | . | trans | -119.2 | 56.7 | -179.9 | -66.2 | 0 | 0 | 0 | 0 | 110.3 | H152 | H152-S154 PolarHBondContact O-N 3.12Å; H152-S154 PolarHBondContact O-OG 3.19Å | ||
| 155 | L | 90.9 | Very high | 92.7 | Very high | 52 Ų | 52 | 46.8 Ų | 46.8 | 27% | 0.272 | 27% | 0.27 | S | S | . | . | trans | -77.1 | 144.7 | 178.8 | -62.6 | 173.7 | 0 | 0 | 0 | 111.1 | V113 N157 E160 R161 V164 | V113-L155 HydrophobicContact CG2-CD1 3.66Å; L155-N157 VanDerWaalsContact C-N 3.31Å; L155-N157 PolarHBondContact O-N 2.93Å; L155-E160 HydrophobicContact CD1-CB 4.13Å; L155-R161 HydrophobicContact CB-CB 4.03Å; L155-V164 HydrophobicContact CD1-CB 4.39Å; L155-V164 HydrophobicContact CD1-CG2 3.86Å | ||
| 156 | P | 89.6 | Confident | 93 | Very high | 128 Ų | 128 | 43.8 Ų | 43.8 | 83% | 0.831 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -62.3 | -34.9 | 179.7 | -23.7 | 33.5 | 0 | 0 | 0 | 113.8 | P158 | P156-P158 WeakPolarHBondContact O-CD 3.47Š|
| 157 | N | 89.9 | Confident | 93.1 | Very high | 55 Ų | 55 | 41.8 Ų | 41.8 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -82.3 | 116.5 | 177.7 | 178.7 | -2.6 | 0 | 0 | 0 | 109.8 | L155 Q159 E160 R161 | L155-N157 VanDerWaalsContact C-N 3.31Å; L155-N157 PolarHBondContact O-N 2.93Å; N157-Q159 VanDerWaalsContact C-N 3.29Å; N157-Q159 PolarHBondContact O-N 3.38Å; N157-Q159 PolarHBondContact OD1-N 3.4Å; N157-E160 HydrophobicContact CB-CB 4.11Å; N157-E160 HydrophobicContact CB-CG 4.31Å; N157-E160 WeakPolarHBondContact ND2-CG 3.08Å; N157-E160 PolarHBondContact ND2-OE1 3Å; N157-E160 PolarHBondContact O-N 3.01Å; N157-R161 VanDerWaalsContact O-CB 3.25Å; N157-R161 WeakPolarHBondContact O-CB 3.37Å; N157-R161 PolarHBondContact O-N 3.34Å |
| 158 | P | 88.1 | Confident | 93.1 | Very high | 50 Ų | 50 | 41.8 Ų | 41.8 | 33% | 0.325 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.1 | -36.2 | 180 | -25.1 | 35.1 | 0 | 0 | 0 | 114.1 | P156 R161 N162 | P156-P158 WeakPolarHBondContact O-CD 3.47Å; P158-R161 PolarHBondContact O-N 3.32Å; P158-N162 WeakPolarHBondContact O-CB 3.33Å; P158-N162 VanDerWaalsContact O-CG 3.24Å; P158-N162 PolarHBondContact O-N 3.18Å; P158-N162 PolarHBondContact O-OD1 3.17Å |
| 159 | Q | 89.3 | Confident | 93.2 | Very high | 128 Ų | 128 | 41.2 Ų | 41.2 | 60% | 0.598 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -69.4 | -46 | -178.9 | -67.6 | 177 | -30.5 | 0 | 0 | 111.6 | N157 N162 A163 | N157-Q159 VanDerWaalsContact C-N 3.29Å; N157-Q159 PolarHBondContact O-N 3.38Å; N157-Q159 PolarHBondContact OD1-N 3.4Å; Q159-N162 PolarHBondContact O-N 3.35Å; Q159-A163 WeakPolarHBondContact O-CB 3.27Å; Q159-A163 PolarHBondContact O-N 3.46Å |
| 160 | E | 90.4 | Very high | 93.2 | Very high | 89 Ų | 89 | 40.6 Ų | 40.6 | 42% | 0.416 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.1 | -40.8 | 174.8 | -74.6 | 170.2 | -145.2 | 0 | 0 | 111.2 | L155 N157 A163 V164 | L155-E160 HydrophobicContact CD1-CB 4.13Å; N157-E160 HydrophobicContact CB-CB 4.11Å; N157-E160 HydrophobicContact CB-CG 4.31Å; N157-E160 WeakPolarHBondContact ND2-CG 3.08Å; N157-E160 PolarHBondContact ND2-OE1 3Å; N157-E160 PolarHBondContact O-N 3.01Å; E160-A163 PolarHBondContact O-N 2.86Å; E160-V164 VanDerWaalsContact O-CG2 3.32Å; E160-V164 WeakPolarHBondContact O-CG2 3.41Å; E160-V164 PolarHBondContact O-N 2.94Å |
| 161 | R | 92.2 | Very high | 93.1 | Very high | 41 Ų | 41 | 40.5 Ų | 40.5 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.3 | -53.1 | 174.9 | -174.7 | -179.8 | 64.3 | -129.3 | 8.9 | 110.7 | A153 L155 N157 P158 A163 V164 R165 | A153-R161 WeakPolarHBondContact O-CG 3.42Å; L155-R161 HydrophobicContact CB-CB 4.03Å; N157-R161 VanDerWaalsContact O-CB 3.25Å; N157-R161 WeakPolarHBondContact O-CB 3.37Å; N157-R161 PolarHBondContact O-N 3.34Å; P158-R161 PolarHBondContact O-N 3.32Å; R161-A163 VanDerWaalsContact C-N 3.34Å; R161-A163 PolarHBondContact O-N 3.46Å; R161-V164 PolarHBondContact O-N 2.91Å; R161-R165 WeakPolarHBondContact O-CB 3.26Å; R161-R165 VanDerWaalsContact O-CG 3.24Å; R161-R165 WeakPolarHBondContact O-CG 3.41Å; R161-R165 PolarHBondContact O-N 3.23Å |
| 162 | N | 93.2 | Very high | 93 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 6% | 0.059 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 179.5 | -72.7 | 9.3 | 0 | 0 | 0 | 111.3 | P158 Q159 V164 R165 V166 C219 P221 | P158-N162 WeakPolarHBondContact O-CB 3.33Å; P158-N162 VanDerWaalsContact O-CG 3.24Å; P158-N162 PolarHBondContact O-N 3.18Å; P158-N162 PolarHBondContact O-OD1 3.17Å; Q159-N162 PolarHBondContact O-N 3.35Å; N162-V164 PolarHBondContact O-N 3.36Å; N162-R165 PolarHBondContact O-N 2.9Å; N162-V166 WeakPolarHBondContact O-CB 3.41Å; N162-V166 VanDerWaalsContact O-CG2 3.28Å; N162-V166 WeakPolarHBondContact O-CG2 3.48Å; N162-V166 PolarHBondContact O-N 2.85Å; N162-C219 PolarHBondContact ND2-O 2.72Å; N162-P221 HydrophobicContact CB-CG 3.82Å |
| 163 | A | 93.8 | Very high | 92.8 | Very high | 30 Ų | 30 | 38 Ų | 38 | 25% | 0.248 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -41.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I117 Q159 E160 R161 A167 C219 | I117-A163 HydrophobicContact CD1-CB 3.99Å; Q159-A163 WeakPolarHBondContact O-CB 3.27Å; Q159-A163 PolarHBondContact O-N 3.46Å; E160-A163 PolarHBondContact O-N 2.86Å; R161-A163 VanDerWaalsContact C-N 3.34Å; R161-A163 PolarHBondContact O-N 3.46Å; A163-A167 VanDerWaalsContact O-CB 3.29Å; A163-A167 WeakPolarHBondContact O-CB 3.43Å; A163-A167 PolarHBondContact O-N 2.9Å; A163-C219 VanDerWaalsContact CA-SG 3.56Å; A163-C219 PolarHBondContact N-SG 2.87Å; A163-C219 VanDerWaalsContact N-SG 3.43Å |
| 164 | V | 94.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.4 | -41.1 | 175.4 | 174.4 | 0 | 0 | 0 | 0 | 111 | V113 I117 M150 A153 L155 E160 R161 N162 A167 G168 | V113-V164 HydrophobicContact CB-CG2 4.15Å; V113-V164 HydrophobicContact CG1-CG2 3.6Å; V113-V164 HydrophobicContact CG2-CG2 3.95Å; I117-V164 HydrophobicContact CD1-CG2 4.47Å; M150-V164 HydrophobicContact CB-CG1 3.92Å; M150-V164 HydrophobicContact CE-CG1 4.27Å; M150-V164 HydrophobicContact CG-CG1 4.06Å; A153-V164 HydrophobicContact CB-CB 4.19Å; A153-V164 HydrophobicContact CB-CG1 3.66Å; L155-V164 HydrophobicContact CD1-CB 4.39Å; L155-V164 HydrophobicContact CD1-CG2 3.86Å; E160-V164 VanDerWaalsContact O-CG2 3.32Å; E160-V164 WeakPolarHBondContact O-CG2 3.41Å; E160-V164 PolarHBondContact O-N 2.94Å; R161-V164 PolarHBondContact O-N 2.91Å; N162-V164 PolarHBondContact O-N 3.36Å; V164-A167 PolarHBondContact O-N 3.37Å; V164-G168 PolarHBondContact O-N 2.89Å |
| 165 | R | 95.8 | Very high | 92.5 | Very high | 12 Ų | 12 | 32.5 Ų | 32.5 | 5% | 0.045 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.3 | -48.2 | 178.4 | -72.2 | 175.7 | 172.4 | -169.2 | -0.7 | 112.2 | M150 A151 A153 R161 N162 A167 G168 I169 N203 D206 P221 | M150-R165 WeakPolarHBondContact O-CA 2.87Å; A151-R165 WeakPolarHBondContact O-CG 2.95Å; A153-R165 HydrophobicContact CB-CG 4.22Å; A153-R165 PolarHBondContact O-NE 3.13Å; A153-R165 PolarHBondContact O-NH2 2.65Å; A153-R165 VanDerWaalsContact O-NH2 3.16Å; R161-R165 WeakPolarHBondContact O-CB 3.26Å; R161-R165 VanDerWaalsContact O-CG 3.24Å; R161-R165 WeakPolarHBondContact O-CG 3.41Å; R161-R165 PolarHBondContact O-N 3.23Å; N162-R165 PolarHBondContact O-N 2.9Å; R165-A167 VanDerWaalsContact C-N 3.3Å; R165-A167 PolarHBondContact O-N 3.38Å; R165-G168 WeakPolarHBondContact O-CA 3.45Å; R165-G168 PolarHBondContact O-N 3.36Å; R165-I169 VanDerWaalsContact O-CG1 3.31Å; R165-I169 WeakPolarHBondContact O-CG1 3.4Å; R165-I169 PolarHBondContact O-N 3.44Å; R165-N203 WeakPolarHBondContact CD-OD1 3.44Å; R165-D206 IonicContact CZ-OD2 3.14Å; R165-D206 IonicContact NH1-OD2 2.78Å; R165-D206 PolarHBondContact NH1-OD2 3.26Å; R165-D206 IonicContact NH2-OD2 2.78Å; R165-D206 PolarHBondContact NH2-OD2 2.57Å; R165-P221 HydrophobicContact CB-CB 4Å; R165-P221 HydrophobicContact CB-CG 3.99Å |
| 166 | V | 95.7 | Very high | 92.1 | Very high | 14 Ų | 14 | 30.3 Ų | 30.3 | 9% | 0.085 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.9 | -45.4 | 173.7 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | N162 G168 I169 Q170 P221 E224 | N162-V166 WeakPolarHBondContact O-CB 3.41Å; N162-V166 VanDerWaalsContact O-CG2 3.28Å; N162-V166 WeakPolarHBondContact O-CG2 3.48Å; N162-V166 PolarHBondContact O-N 2.85Å; V166-G168 VanDerWaalsContact C-N 3.32Å; V166-G168 PolarHBondContact O-N 2.9Å; V166-I169 PolarHBondContact O-N 3.43Å; V166-Q170 HydrophobicContact CG1-CG 4.43Å; V166-Q170 WeakPolarHBondContact O-CB 3.4Å; V166-Q170 WeakPolarHBondContact O-CG 3.49Å; V166-Q170 PolarHBondContact O-N 3.31Å; V166-P221 HydrophobicContact CG2-CB 4.35Å; V166-P221 HydrophobicContact CG2-CG 4.13Å; V166-E224 HydrophobicContact CG1-CG 4.3Å |
| 167 | A | 96.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 3% | 0.033 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.4 | -35.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I117 S120 M150 A163 V164 R165 G171 | I117-A167 HydrophobicContact CG1-CB 4.06Å; S120-A167 WeakPolarHBondContact CB-O 3.48Å; S120-A167 PolarHBondContact OG-O 2.7Å; M150-A167 HydrophobicContact CE-CB 3.71Å; A163-A167 VanDerWaalsContact O-CB 3.29Å; A163-A167 WeakPolarHBondContact O-CB 3.43Å; A163-A167 PolarHBondContact O-N 2.9Å; V164-A167 PolarHBondContact O-N 3.37Å; R165-A167 VanDerWaalsContact C-N 3.3Å; R165-A167 PolarHBondContact O-N 3.38Å; A167-G171 PolarHBondContact O-N 2.98Å |
| 168 | G | 96.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.2 | -49.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F147 V164 R165 V166 Q170 G171 I172 | F147-G168 WeakPolarHBondContact O-CA 3.47Å; V164-G168 PolarHBondContact O-N 2.89Å; R165-G168 WeakPolarHBondContact O-CA 3.45Å; R165-G168 PolarHBondContact O-N 3.36Å; V166-G168 VanDerWaalsContact C-N 3.32Å; V166-G168 PolarHBondContact O-N 2.9Å; G168-Q170 PolarHBondContact O-N 3.49Å; G168-G171 WeakPolarHBondContact O-CA 3.43Å; G168-G171 PolarHBondContact O-N 3.39Å; G168-G171 VanDerWaalsContact O-N 3.12Å; G168-I172 WeakPolarHBondContact O-CG1 3.49Å; G168-I172 PolarHBondContact O-N 3.41Å |
| 169 | I | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 178.4 | -66.9 | 161.5 | 0 | 0 | 0 | 111.3 | A151 R165 V166 G171 I172 Q173 L200 N203 P221 E224 A225 V228 | A151-I169 HydrophobicContact CB-CG1 4.1Å; R165-I169 VanDerWaalsContact O-CG1 3.31Å; R165-I169 WeakPolarHBondContact O-CG1 3.4Å; R165-I169 PolarHBondContact O-N 3.44Å; V166-I169 PolarHBondContact O-N 3.43Å; I169-G171 VanDerWaalsContact C-N 3.31Å; I169-G171 PolarHBondContact O-N 3.37Å; I169-I172 WeakPolarHBondContact O-CB 3.37Å; I169-I172 PolarHBondContact O-N 2.89Å; I169-Q173 PolarHBondContact O-N 3.38Å; I169-L200 HydrophobicContact CG1-CD2 4.39Å; I169-L200 HydrophobicContact CG2-CD2 3.84Å; I169-N203 HydrophobicContact CD1-CB 4.02Å; I169-P221 HydrophobicContact CD1-CB 4.1Å; I169-P221 VanDerWaalsContact CD1-O 3.32Å; I169-P221 WeakPolarHBondContact CD1-O 3.49Å; I169-E224 HydrophobicContact CB-CG 4.31Å; I169-E224 HydrophobicContact CG2-CB 4.26Å; I169-E224 HydrophobicContact CG2-CG 3.72Å; I169-A225 HydrophobicContact CD1-CB 4.05Å; I169-V228 HydrophobicContact CG2-CB 4.02Å; I169-V228 HydrophobicContact CG2-CG2 3.63Å |
| 170 | Q | 95.2 | Very high | 89 | Confident | 52 Ų | 52 | 20 Ų | 20 | 24% | 0.243 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.1 | -37.6 | 175.4 | -72.3 | 177.6 | -13 | 0 | 0 | 112.1 | V124 V166 G168 Q173 G174 E224 | V124-Q170 HydrophobicContact CG2-CB 3.95Å; V124-Q170 WeakPolarHBondContact CG2-O 3.5Å; V166-Q170 HydrophobicContact CG1-CG 4.43Å; V166-Q170 WeakPolarHBondContact O-CB 3.4Å; V166-Q170 WeakPolarHBondContact O-CG 3.49Å; V166-Q170 PolarHBondContact O-N 3.31Å; G168-Q170 PolarHBondContact O-N 3.49Å; Q170-Q173 WeakPolarHBondContact O-CB 3.24Å; Q170-Q173 PolarHBondContact O-N 3.1Å; Q170-G174 PolarHBondContact O-N 3.01Å; Q170-E224 HydrophobicContact CG-CG 4.2Å; Q170-E224 WeakPolarHBondContact CG-OE1 3.35Å; Q170-E224 PolarHBondContact NE2-OE1 3.32Å |
| 171 | G | 94.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.7 | -45.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F147 A167 G168 I169 Q173 G174 V175 | F147-G171 VanDerWaalsContact CD2-C 3.42Å; A167-G171 PolarHBondContact O-N 2.98Å; G168-G171 WeakPolarHBondContact O-CA 3.43Å; G168-G171 PolarHBondContact O-N 3.39Å; G168-G171 VanDerWaalsContact O-N 3.12Å; I169-G171 VanDerWaalsContact C-N 3.31Å; I169-G171 PolarHBondContact O-N 3.37Å; G171-Q173 PolarHBondContact O-N 2.77Å; G171-G174 PolarHBondContact O-N 2.83Å; G171-V175 WeakPolarHBondContact O-CG2 3.47Å; G171-V175 PolarHBondContact O-N 3.3Å |
| 172 | I | 93.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.6 | -47.9 | 173.4 | -67.4 | 170 | 0 | 0 | 0 | 110.6 | L144 F147 A151 G168 I169 G174 V175 V176 I196 P199 | L144-I172 HydrophobicContact CD1-CG1 4.12Å; F147-I172 HydrophobicContact CB-CG1 3.93Å; A151-I172 HydrophobicContact CB-CD1 4.16Å; G168-I172 WeakPolarHBondContact O-CG1 3.49Å; G168-I172 PolarHBondContact O-N 3.41Å; I169-I172 WeakPolarHBondContact O-CB 3.37Å; I169-I172 PolarHBondContact O-N 2.89Å; I172-G174 VanDerWaalsContact C-N 3.28Å; I172-G174 PolarHBondContact O-N 3.18Å; I172-V175 WeakPolarHBondContact O-CB 3.49Å; I172-V175 PolarHBondContact O-N 3.39Å; I172-V176 HydrophobicContact CG2-CG2 4.44Å; I172-V176 WeakPolarHBondContact O-CG2 3.31Å; I172-V176 PolarHBondContact O-N 3.25Å; I172-I196 HydrophobicContact CG2-CB 4.28Å; I172-I196 HydrophobicContact CG2-CG1 4.1Å; I172-I196 HydrophobicContact CG2-CG2 3.78Å; I172-P199 HydrophobicContact CD1-CB 3.96Å; I172-P199 HydrophobicContact CD1-CG 4.21Å |
| 173 | Q | 90.2 | Very high | 83.4 | Confident | 13 Ų | 13 | 29.4 Ų | 29.4 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.4 | -42.4 | 176.7 | -166 | -168.1 | 23.2 | 0 | 0 | 111.9 | I169 Q170 G171 V175 V176 R177 V228 D231 | I169-Q173 PolarHBondContact O-N 3.38Å; Q170-Q173 WeakPolarHBondContact O-CB 3.24Å; Q170-Q173 PolarHBondContact O-N 3.1Å; G171-Q173 PolarHBondContact O-N 2.77Å; Q173-V175 VanDerWaalsContact C-N 3.32Å; Q173-V175 PolarHBondContact O-N 3.33Å; Q173-V176 PolarHBondContact O-N 3Å; Q173-R177 WeakPolarHBondContact O-CB 3.44Å; Q173-R177 PolarHBondContact O-N 2.83Å; Q173-V228 HydrophobicContact CB-CG1 3.88Å; Q173-V228 HydrophobicContact CB-CG2 3.79Å; Q173-V228 HydrophobicContact CG-CG1 4.18Å; Q173-V228 HydrophobicContact CG-CG2 4Å; Q173-D231 PolarHBondContact NE2-OD2 3.39Å |
| 174 | G | 88.9 | Confident | 81.2 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.6 | -37.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S127 Q170 G171 I172 K178 | S127-G174 VanDerWaalsContact CB-O 3.32Å; S127-G174 WeakPolarHBondContact CB-O 3.49Å; S127-G174 WeakPolarHBondContact OG-CA 3.33Å; Q170-G174 PolarHBondContact O-N 3.01Å; G171-G174 PolarHBondContact O-N 2.83Å; I172-G174 VanDerWaalsContact C-N 3.28Å; I172-G174 PolarHBondContact O-N 3.18Å; G174-K178 PolarHBondContact O-N 3.04Å |
| 175 | V | 87.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.3 | -49.1 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 110 | F123 C140 L144 F147 G171 I172 Q173 R177 K178 M179 | F123-V175 HydrophobicContact CE1-CB 4.47Å; F123-V175 HydrophobicContact CE1-CG2 3.64Å; F123-V175 HydrophobicContact CZ-CB 4.48Å; F123-V175 HydrophobicContact CZ-CG2 3.63Å; C140-V175 HydrophobicContact CB-CG1 4.3Å; L144-V175 HydrophobicContact CB-CG1 4.36Å; L144-V175 HydrophobicContact CD1-CB 4.43Å; L144-V175 HydrophobicContact CD1-CG1 4.26Å; L144-V175 HydrophobicContact CD2-CG1 4.48Å; F147-V175 HydrophobicContact CD2-CG2 3.89Å; F147-V175 HydrophobicContact CE2-CG2 4.08Å; G171-V175 WeakPolarHBondContact O-CG2 3.47Å; G171-V175 PolarHBondContact O-N 3.3Å; I172-V175 WeakPolarHBondContact O-CB 3.49Å; I172-V175 PolarHBondContact O-N 3.39Å; Q173-V175 VanDerWaalsContact C-N 3.32Å; Q173-V175 PolarHBondContact O-N 3.33Å; V175-R177 VanDerWaalsContact C-N 3.32Å; V175-R177 PolarHBondContact O-N 2.86Å; V175-K178 CarbonylContact O-C 2.83Å; V175-K178 PolarHBondContact O-N 3.31Å; V175-K178 VanDerWaalsContact O-N 3.12Å; V175-M179 HydrophobicContact CG1-CE 3.61Å; V175-M179 HydrophobicContact CG1-CG 4.15Å; V175-M179 HydrophobicContact CG1-SD 3.89Å; V175-M179 WeakPolarHBondContact O-CG 3.32Å; V175-M179 PolarHBondContact O-N 2.93Å |
| 176 | V | 82.5 | Confident | 76.9 | Confident | 6 Ų | 6 | 35.3 Ų | 35.3 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55 | -49.4 | 177 | 171.9 | 0 | 0 | 0 | 0 | 110.1 | I172 Q173 K178 M179 V180 I196 I232 | I172-V176 HydrophobicContact CG2-CG2 4.44Å; I172-V176 WeakPolarHBondContact O-CG2 3.31Å; I172-V176 PolarHBondContact O-N 3.25Å; Q173-V176 PolarHBondContact O-N 3Å; V176-K178 PolarHBondContact O-N 3.14Å; V176-M179 PolarHBondContact O-N 3.35Å; V176-V180 HydrophobicContact CG1-CG2 3.63Å; V176-V180 WeakPolarHBondContact O-CB 3.26Å; V176-V180 VanDerWaalsContact O-CG2 3.22Å; V176-V180 WeakPolarHBondContact O-CG2 3.3Å; V176-V180 PolarHBondContact O-N 3.1Å; V176-I196 HydrophobicContact CG2-CD1 3.87Å; V176-I196 HydrophobicContact CG2-CG1 4.43Å; V176-I196 HydrophobicContact CG2-CG2 4.13Å; V176-I232 HydrophobicContact CB-CG1 4.47Å; V176-I232 HydrophobicContact CG1-CG1 3.92Å; V176-I232 HydrophobicContact CG2-CD1 4.15Å; V176-I232 HydrophobicContact CG2-CG1 4.05Å |
| 177 | R | 82.2 | Confident | 74.5 | Confident | 84 Ų | 84 | 39 Ų | 39 | 32% | 0.317 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -56.3 | -36.9 | 179.2 | -169.1 | 176.2 | -56.8 | -168 | 3.8 | 113.3 | S127 Q173 V175 S181 | S127-R177 WeakPolarHBondContact O-CD 3.35Å; Q173-R177 WeakPolarHBondContact O-CB 3.44Å; Q173-R177 PolarHBondContact O-N 2.83Å; V175-R177 VanDerWaalsContact C-N 3.32Å; V175-R177 PolarHBondContact O-N 2.86Å; R177-S181 PolarHBondContact O-OG 2.94Å |
| 178 | K | 79.3 | Confident | 72.2 | Confident | 18 Ų | 18 | 43.7 Ų | 43.7 | 8% | 0.078 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -81.3 | -21.1 | 176.6 | -77 | -71.5 | 177.7 | -175 | 0 | 114 | F126 S127 I129 D131 G174 V175 V176 | F126-K178 WeakPolarHBondContact O-CE 3.42Å; S127-K178 WeakPolarHBondContact O-CE 3.44Å; I129-K178 PolarHBondContact O-NZ 3.24Å; D131-K178 IonicContact OD2-NZ 3.85Å; D131-K178 PolarHBondContact OD2-NZ 3.27Å; G174-K178 PolarHBondContact O-N 3.04Å; V175-K178 CarbonylContact O-C 2.83Å; V175-K178 PolarHBondContact O-N 3.31Å; V175-K178 VanDerWaalsContact O-N 3.12Å; V176-K178 PolarHBondContact O-N 3.14Å |
| 179 | M | 71.5 | Confident | 70.3 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 6% | 0.059 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -87.9 | -34 | 176.3 | -71.9 | -169.1 | 175.4 | 0 | 0 | 113.1 | C140 N141 V175 V176 S181 | C140-M179 HydrophobicContact CB-CE 3.87Å; N141-M179 HydrophobicContact CB-CE 4.49Å; V175-M179 HydrophobicContact CG1-CE 3.61Å; V175-M179 HydrophobicContact CG1-CG 4.15Å; V175-M179 HydrophobicContact CG1-SD 3.89Å; V175-M179 WeakPolarHBondContact O-CG 3.32Å; V175-M179 PolarHBondContact O-N 2.93Å; V176-M179 PolarHBondContact O-N 3.35Å; M179-S181 VanDerWaalsContact C-N 3.31Å; M179-S181 PolarHBondContact O-N 3.46Å |
| 180 | V | 60.4 | Low | 68.5 | Low | 32 Ų | 32 | 53.4 Ų | 53.4 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -3.2 | -170.7 | 178.2 | 0 | 0 | 0 | 0 | 113.5 | V176 D182 L186 Q235 | V176-V180 HydrophobicContact CG1-CG2 3.63Å; V176-V180 WeakPolarHBondContact O-CB 3.26Å; V176-V180 VanDerWaalsContact O-CG2 3.22Å; V176-V180 WeakPolarHBondContact O-CG2 3.3Å; V176-V180 PolarHBondContact O-N 3.1Å; V180-D182 PolarHBondContact O-N 3.4Å; V180-L186 HydrophobicContact CG2-CD1 4.03Å; V180-L186 HydrophobicContact CG2-CD2 4.44Å; V180-L186 HydrophobicContact CG2-CG 4.39Å; V180-Q235 HydrophobicContact CG1-CB 4.13Å |
| 181 | S | 57.6 | Low | 67.2 | Low | 101 Ų | 101 | 53.8 Ų | 53.8 | 71% | 0.706 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -11.9 | 174.6 | -46.5 | 0 | 0 | 0 | 0 | 113.8 | R177 M179 | R177-S181 PolarHBondContact O-OG 2.94Å; M179-S181 VanDerWaalsContact C-N 3.31Å; M179-S181 PolarHBondContact O-N 3.46Å |
| 182 | D | 51.3 | Low | 66.5 | Low | 82 Ų | 82 | 54.3 Ų | 54.3 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -132.3 | 109.4 | 178.6 | -154.6 | -7.7 | 0 | 0 | 0 | 110.1 | V180 L184 I185 | V180-D182 PolarHBondContact O-N 3.4Å; D182-L184 PolarHBondContact O-N 3.36Å; D182-I185 HydrophobicContact CB-CD1 3.54Å; D182-I185 HydrophobicContact CB-CG1 3.81Å; D182-I185 PolarHBondContact O-N 2.81Å |
| 183 | Q | 49.4 | Very low | 66.1 | Low | 155 Ų | 155 | 54.6 Ų | 54.6 | 72% | 0.724 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -26.8 | -173.6 | -75.3 | 175.8 | -13.9 | 0 | 0 | 113.3 | I185 | Q183-I185 VanDerWaalsContact C-N 3.31Å; Q183-I185 PolarHBondContact O-N 3.23Å |
| 184 | L | 47.6 | Very low | 66 | Low | 110 Ų | 110 | 58 Ų | 58 | 58% | 0.576 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -20.6 | 178.3 | -81.2 | 152.3 | 0 | 0 | 0 | 113.8 | D182 E187 V188 | D182-L184 PolarHBondContact O-N 3.36Å; L184-E187 PolarHBondContact O-N 3.02Å; L184-V188 WeakPolarHBondContact O-CG2 3.2Å |
| 185 | I | 49.1 | Very low | 65.9 | Low | 26 Ų | 26 | 60.4 Ų | 60.4 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -29 | -164.3 | -61.5 | -175.2 | 0 | 0 | 0 | 112.7 | H137 D182 Q183 E187 V188 | H137-I185 WeakPolarHBondContact CE1-CD1 3.45Å; H137-I185 WeakPolarHBondContact NE2-CD1 3.49Å; D182-I185 HydrophobicContact CB-CD1 3.54Å; D182-I185 HydrophobicContact CB-CG1 3.81Å; D182-I185 PolarHBondContact O-N 2.81Å; Q183-I185 VanDerWaalsContact C-N 3.31Å; Q183-I185 PolarHBondContact O-N 3.23Å; I185-E187 PolarHBondContact O-N 3.46Å; I185-V188 PolarHBondContact O-N 3Å |
| 186 | L | 50 | Low | 66.1 | Low | 31 Ų | 31 | 60.4 Ų | 60.4 | 16% | 0.162 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -26.7 | 171 | -72.7 | 167.5 | 0 | 0 | 0 | 111.8 | V180 V188 M193 N240 | V180-L186 HydrophobicContact CG2-CD1 4.03Å; V180-L186 HydrophobicContact CG2-CD2 4.44Å; V180-L186 HydrophobicContact CG2-CG 4.39Å; L186-V188 VanDerWaalsContact C-N 3.32Å; L186-M193 HydrophobicContact CD2-CE 3.43Å; L186-M193 VanDerWaalsContact CD2-CE 3.43Å; L186-N240 HydrophobicContact CB-CB 3.56Å; L186-N240 HydrophobicContact CD1-CB 3.82Å; L186-N240 WeakPolarHBondContact CD1-ND2 3.48Å; L186-N240 HydrophobicContact CG-CB 4.32Å |
| 187 | E | 46.1 | Very low | 66.6 | Low | 93 Ų | 93 | 60.2 Ų | 60.2 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -21.6 | 176.4 | -64.3 | 178.2 | -179.3 | 0 | 0 | 112.9 | L184 I185 T239 | L184-E187 PolarHBondContact O-N 3.02Å; I185-E187 PolarHBondContact O-N 3.46Å; E187-T239 WeakPolarHBondContact OE1-CB 3.21Å; E187-T239 PolarHBondContact OE1-OG1 3.09Å |
| 188 | V | 47.3 | Very low | 67.2 | Low | 102 Ų | 102 | 57.3 Ų | 57.3 | 62% | 0.618 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -19.2 | -171.1 | 179.3 | 0 | 0 | 0 | 0 | 113.2 | L184 I185 L186 | L184-V188 WeakPolarHBondContact O-CG2 3.2Å; I185-V188 PolarHBondContact O-N 3Å; L186-V188 VanDerWaalsContact C-N 3.32Å |
| 189 | H | 57 | Low | 68 | Low | 82 Ų | 82 | 56.6 Ų | 56.6 | 38% | 0.38 | 30% | 0.303 | S | S | . | . | trans | -133.9 | 72.1 | -178 | -72.2 | -73.3 | 0 | 0 | 0 | 112.4 | S191 N192 | H189-S191 PolarHBondContact O-N 3.06Å; H189-N192 HydrophobicContact CB-CB 4.44Å; H189-N192 WeakPolarHBondContact CB-ND2 3.43Å; H189-N192 PolarHBondContact O-N 3.41Å | ||
| 190 | E | 59.1 | Low | 69.1 | Low | 122 Ų | 122 | 56 Ų | 56 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -45.9 | -36.5 | 168.1 | -61.7 | -173 | 147 | 0 | 0 | 111.3 | N192 M193 P243 | E190-N192 PolarHBondContact O-N 2.95Å; E190-N192 VanDerWaalsContact O-N 3.09Å; E190-M193 PolarHBondContact O-N 3.04Å; E190-P243 HydrophobicContact CG-CG 4.15Å |
| 191 | S | 67.9 | Low | 70.8 | Confident | 60 Ų | 60 | 54.5 Ų | 54.5 | 42% | 0.42 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.1 | -20.3 | 178 | 63.8 | 0 | 0 | 0 | 0 | 116 | H189 | H189-S191 PolarHBondContact O-N 3.06Å |
| 192 | N | 78.5 | Confident | 72.6 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.053 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -78.2 | -34.1 | -179.5 | -70.4 | -8.9 | 0 | 0 | 0 | 111.4 | H189 E190 D194 K195 I196 | H189-N192 HydrophobicContact CB-CB 4.44Å; H189-N192 WeakPolarHBondContact CB-ND2 3.43Å; H189-N192 PolarHBondContact O-N 3.41Å; E190-N192 PolarHBondContact O-N 2.95Å; E190-N192 VanDerWaalsContact O-N 3.09Å; N192-D194 PolarHBondContact O-N 3.04Å; N192-K195 WeakPolarHBondContact O-CB 3.42Å; N192-K195 PolarHBondContact O-N 3.21Å; N192-I196 HydrophobicContact CB-CD1 4.44Å; N192-I196 WeakPolarHBondContact O-CD1 3.45Å; N192-I196 WeakPolarHBondContact O-CG1 3.33Å; N192-I196 PolarHBondContact O-N 3.11Å |
| 193 | M | 85.2 | Confident | 74.6 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 3% | 0.034 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -34.4 | 177.8 | -70.5 | -56.1 | 111.5 | 0 | 0 | 111.2 | L186 E190 K195 I196 V197 P198 P243 V244 S247 | L186-M193 HydrophobicContact CD2-CE 3.43Å; L186-M193 VanDerWaalsContact CD2-CE 3.43Å; E190-M193 PolarHBondContact O-N 3.04Å; M193-K195 PolarHBondContact O-N 3.37Å; M193-K195 VanDerWaalsContact O-N 3.13Å; M193-I196 HydrophobicContact CE-CD1 3.56Å; M193-I196 PolarHBondContact O-N 2.88Å; M193-V197 PolarHBondContact O-N 2.71Å; M193-P198 WeakPolarHBondContact O-CD 3.2Å; M193-P243 HydrophobicContact CB-CB 4.3Å; M193-P243 HydrophobicContact CG-CB 3.82Å; M193-V244 HydrophobicContact CG-CG2 4.22Å; M193-V244 HydrophobicContact SD-CG2 3.79Å; M193-S247 PolarHBondContact O-OG 3.28Å |
| 194 | D | 86.7 | Confident | 76.7 | Confident | 83 Ų | 83 | 42.2 Ų | 42.2 | 44% | 0.444 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.8 | -11.8 | 174 | -63.1 | -27.8 | 0 | 0 | 0 | 114.5 | N192 P198 S247 | N192-D194 PolarHBondContact O-N 3.04Å; D194-P198 WeakPolarHBondContact O-CD 3.24Å; D194-P198 WeakPolarHBondContact O-CG 3.18Å; D194-S247 VanDerWaalsContact CA-OG 3.29Å; D194-S247 WeakPolarHBondContact CA-OG 3.45Å; D194-S247 PolarHBondContact N-OG 3.35Å; D194-S247 VanDerWaalsContact OD1-CB 3.29Å; D194-S247 WeakPolarHBondContact OD1-CB 3.4Å; D194-S247 PolarHBondContact OD1-OG 2.63Å |
| 195 | K | 88.5 | Confident | 78.7 | Confident | 52 Ų | 52 | 39 Ų | 39 | 23% | 0.226 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -101.6 | -17 | 171.4 | -60.8 | 177.4 | 174.7 | -160.3 | 0 | 112.9 | N141 L144 D145 N192 M193 P199 | N141-K195 PolarHBondContact OD1-NZ 2.89Å; L144-K195 HydrophobicContact CD2-CB 3.82Å; L144-K195 HydrophobicContact CD2-CD 4.01Å; L144-K195 HydrophobicContact CG-CB 4.04Å; L144-K195 HydrophobicContact CG-CD 4.38Å; D145-K195 VanDerWaalsContact CG-NZ 3.28Å; D145-K195 VanDerWaalsContact OD1-CD 3.23Å; D145-K195 WeakPolarHBondContact OD1-CD 3.3Å; D145-K195 WeakPolarHBondContact OD1-CE 3.43Å; D145-K195 IonicContact OD1-NZ 3.67Å; D145-K195 PolarHBondContact OD1-NZ 3.34Å; D145-K195 IonicContact OD2-NZ 3.11Å; D145-K195 PolarHBondContact OD2-NZ 3.31Å; D145-K195 VanDerWaalsContact OD2-NZ 3.09Å; N192-K195 WeakPolarHBondContact O-CB 3.42Å; N192-K195 PolarHBondContact O-N 3.21Å; M193-K195 PolarHBondContact O-N 3.37Å; M193-K195 VanDerWaalsContact O-N 3.13Å; K195-P199 WeakPolarHBondContact O-CD 3.43Å; K195-P199 WeakPolarHBondContact O-CG 3.36Å |
| 196 | I | 91.4 | Very high | 80 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -101.1 | -51.4 | -172.7 | -70.8 | 163.6 | 0 | 0 | 0 | 111.1 | L144 I172 V176 N192 M193 P199 L200 I232 | L144-I196 HydrophobicContact CD1-CG1 3.87Å; L144-I196 HydrophobicContact CD2-CD1 4.19Å; L144-I196 HydrophobicContact CD2-CG1 4Å; I172-I196 HydrophobicContact CG2-CB 4.28Å; I172-I196 HydrophobicContact CG2-CG1 4.1Å; I172-I196 HydrophobicContact CG2-CG2 3.78Å; V176-I196 HydrophobicContact CG2-CD1 3.87Å; V176-I196 HydrophobicContact CG2-CG1 4.43Å; V176-I196 HydrophobicContact CG2-CG2 4.13Å; N192-I196 HydrophobicContact CB-CD1 4.44Å; N192-I196 WeakPolarHBondContact O-CD1 3.45Å; N192-I196 WeakPolarHBondContact O-CG1 3.33Å; N192-I196 PolarHBondContact O-N 3.11Å; M193-I196 HydrophobicContact CE-CD1 3.56Å; M193-I196 PolarHBondContact O-N 2.88Å; I196-P199 WeakPolarHBondContact O-CD 3.28Å; I196-L200 HydrophobicContact CG2-CD1 4.25Å; I196-L200 VanDerWaalsContact O-CG 3.31Å; I196-L200 WeakPolarHBondContact O-CG 3.38Å; I196-I232 HydrophobicContact CG2-CD1 3.55Å |
| 197 | V | 92.8 | Very high | 80.6 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.5 | -47.3 | -174.6 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | M193 L200 L201 V244 I248 | M193-V197 PolarHBondContact O-N 2.71Å; V197-L200 WeakPolarHBondContact O-CB 3.47Å; V197-L200 PolarHBondContact O-N 2.96Å; V197-L200 VanDerWaalsContact O-N 3.09Å; V197-L201 HydrophobicContact CG1-CD1 3.65Å; V197-L201 HydrophobicContact CG1-CG 3.87Å; V197-L201 WeakPolarHBondContact O-CG 2.82Å; V197-L201 PolarHBondContact O-N 3.2Å; V197-V244 HydrophobicContact CG2-CG1 4.23Å; V197-I248 HydrophobicContact CG1-CG1 3.65Å |
| 198 | P | 94.5 | Very high | 81 | Confident | 23 Ų | 23 | 45.7 Ų | 45.7 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.2 | -42.6 | -176.2 | -27.3 | 38.3 | 0 | 0 | 0 | 115.2 | M193 D194 L200 L201 F202 | M193-P198 WeakPolarHBondContact O-CD 3.2Å; D194-P198 WeakPolarHBondContact O-CD 3.24Å; D194-P198 WeakPolarHBondContact O-CG 3.18Å; P198-L200 VanDerWaalsContact C-N 3.3Å; P198-L200 PolarHBondContact O-N 3.35Å; P198-L201 PolarHBondContact O-N 2.96Å; P198-F202 WeakPolarHBondContact O-CB 3.38Å; P198-F202 PolarHBondContact O-N 3.1Å |
| 199 | P | 95.3 | Very high | 81.1 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.2 | -32 | 175.2 | -20.1 | 30.5 | 0 | 0 | 0 | 113.9 | A148 A151 H152 I172 K195 I196 N203 | A148-P199 HydrophobicContact CB-CG 3.78Å; A151-P199 HydrophobicContact CB-CB 3.66Å; H152-P199 WeakPolarHBondContact NE2-CA 3.34Å; I172-P199 HydrophobicContact CD1-CB 3.96Å; I172-P199 HydrophobicContact CD1-CG 4.21Å; K195-P199 WeakPolarHBondContact O-CD 3.43Å; K195-P199 WeakPolarHBondContact O-CG 3.36Å; I196-P199 WeakPolarHBondContact O-CD 3.28Å; P199-N203 PolarHBondContact O-N 3.46Å; P199-N203 PolarHBondContact O-ND2 3.08Å |
| 200 | L | 96 | Very high | 80.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.5 | -50.9 | 175.4 | -61.4 | 172.2 | 0 | 0 | 0 | 110.2 | I169 I196 V197 P198 F202 N203 M204 A225 V228 F229 I232 | I169-L200 HydrophobicContact CG1-CD2 4.39Å; I169-L200 HydrophobicContact CG2-CD2 3.84Å; I196-L200 HydrophobicContact CG2-CD1 4.25Å; I196-L200 VanDerWaalsContact O-CG 3.31Å; I196-L200 WeakPolarHBondContact O-CG 3.38Å; V197-L200 WeakPolarHBondContact O-CB 3.47Å; V197-L200 PolarHBondContact O-N 2.96Å; V197-L200 VanDerWaalsContact O-N 3.09Å; P198-L200 VanDerWaalsContact C-N 3.3Å; P198-L200 PolarHBondContact O-N 3.35Å; L200-F202 VanDerWaalsContact C-N 3.3Å; L200-F202 PolarHBondContact O-N 2.84Å; L200-N203 PolarHBondContact O-N 2.92Å; L200-N203 VanDerWaalsContact O-N 3.11Å; L200-M204 HydrophobicContact CB-CE 4.32Å; L200-M204 WeakPolarHBondContact O-CG 3.41Å; L200-M204 PolarHBondContact O-N 3.13Å; L200-A225 HydrophobicContact CB-CB 4.49Å; L200-A225 HydrophobicContact CD2-CB 4.24Å; L200-V228 HydrophobicContact CD1-CG1 4.07Å; L200-V228 HydrophobicContact CD2-CB 3.99Å; L200-V228 HydrophobicContact CD2-CG1 3.82Å; L200-F229 HydrophobicContact CD1-CB 4.25Å; L200-I232 HydrophobicContact CD1-CD1 3.5Å |
| 201 | L | 95.3 | Very high | 79.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.2 | -40.8 | 178.8 | -64 | -176.1 | 0 | 0 | 0 | 112 | V197 P198 N203 M204 C205 F229 I248 H251 F263 I267 | V197-L201 HydrophobicContact CG1-CD1 3.65Å; V197-L201 HydrophobicContact CG1-CG 3.87Å; V197-L201 WeakPolarHBondContact O-CG 2.82Å; V197-L201 PolarHBondContact O-N 3.2Å; P198-L201 PolarHBondContact O-N 2.96Å; L201-N203 VanDerWaalsContact C-N 3.34Å; L201-N203 PolarHBondContact O-N 2.86Å; L201-M204 HydrophobicContact CD2-SD 4.12Å; L201-M204 WeakPolarHBondContact O-CB 3.41Å; L201-M204 PolarHBondContact O-N 2.79Å; L201-M204 VanDerWaalsContact O-N 3.14Å; L201-C205 PolarHBondContact O-N 3.16Å; L201-C205 PolarHBondContact O-SG 3.11Å; L201-C205 VanDerWaalsContact O-SG 3.38Å; L201-F229 HydrophobicContact CD2-CE2 4.31Å; L201-I248 HydrophobicContact CD1-CB 4.42Å; L201-I248 HydrophobicContact CD1-CG1 4.28Å; L201-I248 HydrophobicContact CD1-CG2 4.31Å; L201-H251 HydrophobicContact CD1-CB 3.92Å; L201-F263 HydrophobicContact CB-CZ 4.48Å; L201-I267 HydrophobicContact CD2-CD1 3.59Å; L201-I267 HydrophobicContact CD2-CG1 3.92Å; L201-I267 HydrophobicContact CD2-CG2 3.79Å |
| 202 | F | 94.9 | Very high | 78.8 | Confident | 61 Ų | 61 | 53.5 Ų | 53.5 | 27% | 0.268 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.5 | -45.2 | 174.8 | 172 | -97.3 | 0 | 0 | 0 | 112.7 | H152 P198 L200 M204 C205 D206 | H152-F202 VanDerWaalsContact CE1-CB 3.43Å; H152-F202 WeakPolarHBondContact CE1-CB 3.34Å; H152-F202 AromaticContact CE1-CD1 3.85Å; H152-F202 AromaticContact CE1-CG 3.51Å; H152-F202 AromaticContact ND1-CD1 3.27Å; H152-F202 VanDerWaalsContact ND1-CD1 3.27Å; H152-F202 WeakPolarHBondContact ND1-CD1 3.46Å; H152-F202 AromaticContact ND1-CD2 3.8Å; H152-F202 AromaticContact ND1-CE1 3.73Å; H152-F202 AromaticContact ND1-CG 3.31Å; H152-F202 VanDerWaalsContact ND1-CG 3.31Å; H152-F202 WeakPolarHBondContact ND1-CG 3.29Å; P198-F202 WeakPolarHBondContact O-CB 3.38Å; P198-F202 PolarHBondContact O-N 3.1Å; L200-F202 VanDerWaalsContact C-N 3.3Å; L200-F202 PolarHBondContact O-N 2.84Å; F202-M204 VanDerWaalsContact C-N 3.34Å; F202-C205 PolarHBondContact O-N 3.07Å; F202-D206 WeakPolarHBondContact O-CB 3.26Å; F202-D206 PolarHBondContact O-N 3.09Å; F202-D206 VanDerWaalsContact O-N 3.11Å |
| 203 | N | 94.8 | Very high | 77.2 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.011 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.8 | -24.6 | 178.5 | -77 | -80.8 | 0 | 0 | 0 | 113 | A151 R165 I169 P199 L200 L201 P221 S222 A225 | A151-N203 PolarHBondContact O-ND2 3.23Å; R165-N203 WeakPolarHBondContact CD-OD1 3.44Å; I169-N203 HydrophobicContact CD1-CB 4.02Å; P199-N203 PolarHBondContact O-N 3.46Å; P199-N203 PolarHBondContact O-ND2 3.08Å; L200-N203 PolarHBondContact O-N 2.92Å; L200-N203 VanDerWaalsContact O-N 3.11Å; L201-N203 VanDerWaalsContact C-N 3.34Å; L201-N203 PolarHBondContact O-N 2.86Å; N203-P221 HydrophobicContact CB-CB 4.34Å; N203-P221 WeakPolarHBondContact OD1-CB 3.48Å; N203-S222 WeakPolarHBondContact O-CA 3.28Å; N203-S222 WeakPolarHBondContact O-CB 3.38Å; N203-S222 PolarHBondContact O-OG 3.37Å; N203-A225 HydrophobicContact CB-CB 3.78Å |
| 204 | M | 93.4 | Very high | 75.2 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -73.3 | -38.1 | 171.2 | -64.6 | 178.6 | -167.5 | 0 | 0 | 112.4 | L200 L201 F202 A225 V226 F229 F263 I267 | L200-M204 HydrophobicContact CB-CE 4.32Å; L200-M204 WeakPolarHBondContact O-CG 3.41Å; L200-M204 PolarHBondContact O-N 3.13Å; L201-M204 HydrophobicContact CD2-SD 4.12Å; L201-M204 WeakPolarHBondContact O-CB 3.41Å; L201-M204 PolarHBondContact O-N 2.79Å; L201-M204 VanDerWaalsContact O-N 3.14Å; F202-M204 VanDerWaalsContact C-N 3.34Å; M204-A225 HydrophobicContact CE-CB 4.35Å; M204-A225 VanDerWaalsContact CE-O 3.26Å; M204-A225 WeakPolarHBondContact CE-O 3.44Å; M204-A225 HydrophobicContact CG-CB 3.97Å; M204-V226 HydrophobicContact CE-CB 4.48Å; M204-V226 HydrophobicContact CE-CG2 4.2Å; M204-V226 HydrophobicContact CG-CG2 3.89Å; M204-V226 HydrophobicContact SD-CG2 4.16Å; M204-F229 HydrophobicContact CE-CB 3.15Å; M204-F229 HydrophobicContact CE-CD1 4.05Å; M204-F229 HydrophobicContact CE-CD2 4.05Å; M204-F229 HydrophobicContact CE-CG 3.51Å; M204-F263 HydrophobicContact CB-CE2 3.99Å; M204-F263 HydrophobicContact CB-CZ 4.32Å; M204-I267 HydrophobicContact CB-CD1 4.38Å; M204-I267 HydrophobicContact SD-CD1 3.33Å; M204-I267 WeakPolarHBondContact SD-CD1 3.48Å |
| 205 | C | 88.1 | Confident | 73.1 | Confident | 42 Ų | 42 | 64.6 Ų | 64.6 | 28% | 0.284 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 175 | -70.5 | 0 | 0 | 0 | 0 | 112.2 | L201 F202 K207 F263 | L201-C205 PolarHBondContact O-N 3.16Å; L201-C205 PolarHBondContact O-SG 3.11Å; L201-C205 VanDerWaalsContact O-SG 3.38Å; F202-C205 PolarHBondContact O-N 3.07Å; C205-K207 PolarHBondContact O-N 2.82Å; C205-F263 HydrophobicContact CB-CE2 4.26Å; C205-F263 HydrophobicContact CB-CZ 4.34Å; C205-F263 WeakPolarHBondContact SG-CE1 3.5Å; C205-F263 WeakPolarHBondContact SG-CE2 3.46Å; C205-F263 WeakPolarHBondContact SG-CZ 3.45Å |
| 206 | D | 77.8 | Confident | 70.9 | Confident | 59 Ų | 59 | 70 Ų | 70 | 32% | 0.316 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -72.6 | 94.7 | -171.9 | -163.1 | 3.3 | 0 | 0 | 0 | 110.2 | R165 F202 S208 | R165-D206 IonicContact CZ-OD2 3.14Å; R165-D206 IonicContact NH1-OD2 2.78Å; R165-D206 PolarHBondContact NH1-OD2 3.26Å; R165-D206 IonicContact NH2-OD2 2.78Å; R165-D206 PolarHBondContact NH2-OD2 2.57Å; F202-D206 WeakPolarHBondContact O-CB 3.26Å; F202-D206 PolarHBondContact O-N 3.09Å; F202-D206 VanDerWaalsContact O-N 3.11Å; D206-S208 PolarHBondContact O-N 3.3Å |
| 207 | K | 63.1 | Low | 69 | Low | 184 Ų | 184 | 75.3 Ų | 75.3 | 80% | 0.8 | 42% | 0.419 | S | S | * | . | trans | -63.2 | 104.5 | 174.5 | -66.4 | -177.8 | -177.5 | 177.9 | 0 | 107.7 | C205 E209 | C205-K207 PolarHBondContact O-N 2.82Å; K207-E209 PolarHBondContact O-N 3Å; K207-E209 VanDerWaalsContact O-N 3.07Å | ||
| 208 | S | 53.1 | Low | 67.2 | Low | 48 Ų | 48 | 84 Ų | 84 | 34% | 0.336 | 46% | 0.46 | S | S | . | . | trans | -51.9 | 120.4 | 178.7 | 68 | 0 | 0 | 0 | 0 | 109.7 | D206 M210 | D206-S208 PolarHBondContact O-N 3.3Å; S208-M210 PolarHBondContact O-N 3.44Å | ||
| 209 | E | 49.2 | Very low | 65.9 | Low | 167 Ų | 167 | 85.3 Ų | 85.3 | 78% | 0.78 | 47% | 0.469 | S | S | * | . | trans | -66.2 | 21.1 | 179.3 | -61.7 | 179.4 | 146.4 | 0 | 0 | 113.9 | K207 D211 | K207-E209 PolarHBondContact O-N 3Å; K207-E209 VanDerWaalsContact O-N 3.07Å; E209-D211 PolarHBondContact O-N 3.16Å | ||
| 210 | M | 47.4 | Very low | 65.5 | Low | 93 Ų | 93 | 87 Ų | 87 | 46% | 0.458 | 48% | 0.478 | S | S | . | . | trans | -85.8 | 111.9 | -177 | -72.5 | -79.3 | -80 | 0 | 0 | 109.8 | S208 S212 | S208-M210 PolarHBondContact O-N 3.44Å; M210-S212 PolarHBondContact O-N 2.99Å | ||
| 211 | D | 42.2 | Very low | 65.4 | Low | 133 Ų | 133 | 87.2 Ų | 87.2 | 71% | 0.711 | 48% | 0.479 | S | S | * | . | trans | -48.8 | 130.3 | 168.2 | -72.7 | -37.6 | 0 | 0 | 0 | 110.2 | E209 S213 | E209-D211 PolarHBondContact O-N 3.16Å; D211-S213 PolarHBondContact O-N 2.92Å | ||
| 212 | S | 45.8 | Very low | 65.3 | Low | 137 Ų | 137 | 88.6 Ų | 88.6 | 96% | 0.958 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 30.3 | -175.7 | 45.9 | 0 | 0 | 0 | 0 | 115.3 | M210 | M210-S212 PolarHBondContact O-N 2.99Š|
| 213 | S | 44.8 | Very low | 65.1 | Low | 104 Ų | 104 | 92 Ų | 92 | 73% | 0.727 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | -1.5 | -176.5 | 63 | 0 | 0 | 0 | 0 | 114.7 | D211 | D211-S213 PolarHBondContact O-N 2.92Š|
| 214 | S | 43.7 | Very low | 65.1 | Low | 65 Ų | 65 | 94 Ų | 94 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | trans | -103.5 | 109.8 | 175 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | E216 | S214-E216 PolarHBondContact O-N 3.25Š| ||
| 215 | N | 42.1 | Very low | 65.2 | Low | 164 Ų | 164 | 93.2 Ų | 93.2 | 88% | 0.877 | 51% | 0.511 | S | S | * | . | trans | -69.1 | 24.1 | 178.6 | -78.9 | -29.8 | 0 | 0 | 0 | 114.4 | S217 | N215-S217 PolarHBondContact O-N 3.43Š| ||
| 216 | E | 42.4 | Very low | 65.4 | Low | 166 Ų | 166 | 92.2 Ų | 92.2 | 78% | 0.776 | 50% | 0.503 | S | S | * | . | trans | -97.1 | 72.7 | 177.5 | -68.5 | -164.2 | 167.8 | 0 | 0 | 110.6 | S214 Q218 | S214-E216 PolarHBondContact O-N 3.25Å; E216-Q218 PolarHBondContact O-N 2.66Å | ||
| 217 | S | 51.5 | Low | 66.2 | Low | 113 Ų | 113 | 95.1 Ų | 95.1 | 79% | 0.79 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 25.5 | -176.8 | 43.2 | 0 | 0 | 0 | 0 | 116.2 | N215 | N215-S217 PolarHBondContact O-N 3.43Š|
| 218 | Q | 56.6 | Low | 67.6 | Low | 184 Ų | 184 | 86.3 Ų | 86.3 | 86% | 0.86 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | 0.5 | -174.7 | -76.9 | -169.2 | -2.2 | 0 | 0 | 115.7 | E216 | E216-Q218 PolarHBondContact O-N 2.66Š|
| 219 | C | 66.4 | Low | 69.4 | Low | 49 Ų | 49 | 84.1 Ų | 84.1 | 33% | 0.331 | 46% | 0.457 | S | S | . | . | trans | -143.3 | 47.8 | -170.6 | -149.3 | 0 | 0 | 0 | 0 | 113.5 | N162 A163 P221 | N162-C219 PolarHBondContact ND2-O 2.72Å; A163-C219 VanDerWaalsContact CA-SG 3.56Å; A163-C219 PolarHBondContact N-SG 2.87Å; A163-C219 VanDerWaalsContact N-SG 3.43Å; C219-P221 WeakPolarHBondContact O-CD 3.42Å | ||
| 220 | D | 87.7 | Confident | 71.4 | Confident | 40 Ų | 40 | 77.8 Ų | 77.8 | 21% | 0.214 | 43% | 0.427 | C | S | . | . | trans | -99.1 | 106.7 | 170.1 | -176.3 | 3.1 | 0 | 0 | 0 | 110.2 | S222 Q223 E224 | D220-S222 PolarHBondContact O-N 3.18Å; D220-S222 WeakPolarHBondContact OD1-CB 3.49Å; D220-S222 PolarHBondContact OD1-N 3.02Å; D220-Q223 HydrophobicContact CB-CB 4.28Å; D220-Q223 HydrophobicContact CB-CG 4.35Å; D220-Q223 VanDerWaalsContact OD2-CG 3.28Å; D220-Q223 WeakPolarHBondContact OD2-CG 3.42Å; D220-Q223 PolarHBondContact OD2-NE2 3.19Å; D220-Q223 VanDerWaalsContact OD2-NE2 3.15Å; D220-E224 PolarHBondContact O-N 3.08Å | ||
| 221 | P | 92.7 | Very high | 73.3 | Confident | 4 Ų | 4 | 74.8 Ų | 74.8 | 3% | 0.026 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.5 | -29.4 | 176.8 | -21.3 | 32.6 | 0 | 0 | 0 | 113.5 | N162 R165 V166 I169 N203 C219 A225 | N162-P221 HydrophobicContact CB-CG 3.82Å; R165-P221 HydrophobicContact CB-CB 4Å; R165-P221 HydrophobicContact CB-CG 3.99Å; V166-P221 HydrophobicContact CG2-CB 4.35Å; V166-P221 HydrophobicContact CG2-CG 4.13Å; I169-P221 HydrophobicContact CD1-CB 4.1Å; I169-P221 VanDerWaalsContact CD1-O 3.32Å; I169-P221 WeakPolarHBondContact CD1-O 3.49Å; N203-P221 HydrophobicContact CB-CB 4.34Å; N203-P221 WeakPolarHBondContact OD1-CB 3.48Å; C219-P221 WeakPolarHBondContact O-CD 3.42Å; P221-A225 VanDerWaalsContact O-CB 3.25Å; P221-A225 WeakPolarHBondContact O-CB 3.49Å; P221-A225 PolarHBondContact O-N 3.22Å |
| 222 | S | 92.6 | Very high | 75.3 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.4 | -49.5 | -177.1 | -170.1 | 0 | 0 | 0 | 0 | 111 | N203 D220 E224 A225 V226 | N203-S222 WeakPolarHBondContact O-CA 3.28Å; N203-S222 WeakPolarHBondContact O-CB 3.38Å; N203-S222 PolarHBondContact O-OG 3.37Å; D220-S222 PolarHBondContact O-N 3.18Å; D220-S222 WeakPolarHBondContact OD1-CB 3.49Å; D220-S222 PolarHBondContact OD1-N 3.02Å; S222-E224 VanDerWaalsContact C-N 3.34Å; S222-E224 PolarHBondContact O-N 2.93Å; S222-A225 WeakPolarHBondContact O-CB 3.3Å; S222-A225 PolarHBondContact O-N 2.87Å; S222-V226 WeakPolarHBondContact O-CG2 3.45Å; S222-V226 PolarHBondContact O-N 2.97Å |
| 223 | Q | 91.9 | Very high | 77.1 | Confident | 133 Ų | 133 | 62.7 Ų | 62.7 | 62% | 0.621 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.1 | -43.4 | 175.4 | -74.2 | 173.4 | 26.8 | 0 | 0 | 112.2 | D220 A225 V226 Y227 | D220-Q223 HydrophobicContact CB-CB 4.28Å; D220-Q223 HydrophobicContact CB-CG 4.35Å; D220-Q223 VanDerWaalsContact OD2-CG 3.28Å; D220-Q223 WeakPolarHBondContact OD2-CG 3.42Å; D220-Q223 PolarHBondContact OD2-NE2 3.19Å; D220-Q223 VanDerWaalsContact OD2-NE2 3.15Å; Q223-A225 VanDerWaalsContact C-N 3.33Å; Q223-A225 PolarHBondContact O-N 3.28Å; Q223-V226 PolarHBondContact O-N 3.21Å; Q223-Y227 PolarHBondContact O-N 3Å |
| 224 | E | 93.7 | Very high | 78.9 | Confident | 44 Ų | 44 | 62.4 Ų | 62.4 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 177.1 | -164.7 | 74.1 | -174.9 | 0 | 0 | 111 | V166 I169 Q170 D220 S222 Y227 V228 | V166-E224 HydrophobicContact CG1-CG 4.3Å; I169-E224 HydrophobicContact CB-CG 4.31Å; I169-E224 HydrophobicContact CG2-CB 4.26Å; I169-E224 HydrophobicContact CG2-CG 3.72Å; Q170-E224 HydrophobicContact CG-CG 4.2Å; Q170-E224 WeakPolarHBondContact CG-OE1 3.35Å; Q170-E224 PolarHBondContact NE2-OE1 3.32Å; D220-E224 PolarHBondContact O-N 3.08Å; S222-E224 VanDerWaalsContact C-N 3.34Å; S222-E224 PolarHBondContact O-N 2.93Å; E224-Y227 PolarHBondContact O-N 3.15Å; E224-V228 WeakPolarHBondContact O-CG2 3.46Å; E224-V228 PolarHBondContact O-N 3.27Å |
| 225 | A | 95.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I169 L200 N203 M204 P221 S222 Q223 V228 F229 | I169-A225 HydrophobicContact CD1-CB 4.05Å; L200-A225 HydrophobicContact CB-CB 4.49Å; L200-A225 HydrophobicContact CD2-CB 4.24Å; N203-A225 HydrophobicContact CB-CB 3.78Å; M204-A225 HydrophobicContact CE-CB 4.35Å; M204-A225 VanDerWaalsContact CE-O 3.26Å; M204-A225 WeakPolarHBondContact CE-O 3.44Å; M204-A225 HydrophobicContact CG-CB 3.97Å; P221-A225 VanDerWaalsContact O-CB 3.25Å; P221-A225 WeakPolarHBondContact O-CB 3.49Å; P221-A225 PolarHBondContact O-N 3.22Å; S222-A225 WeakPolarHBondContact O-CB 3.3Å; S222-A225 PolarHBondContact O-N 2.87Å; Q223-A225 VanDerWaalsContact C-N 3.33Å; Q223-A225 PolarHBondContact O-N 3.28Å; A225-V228 PolarHBondContact O-N 3.26Å; A225-F229 VanDerWaalsContact O-CB 3.28Å; A225-F229 WeakPolarHBondContact O-CB 3.34Å; A225-F229 PolarHBondContact O-N 2.61Å |
| 226 | V | 94.1 | Very high | 81.8 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.6 | -49.6 | 175.9 | 174.6 | 0 | 0 | 0 | 0 | 110 | M204 S222 Q223 V228 F229 E230 Y270 | M204-V226 HydrophobicContact CE-CB 4.48Å; M204-V226 HydrophobicContact CE-CG2 4.2Å; M204-V226 HydrophobicContact CG-CG2 3.89Å; M204-V226 HydrophobicContact SD-CG2 4.16Å; S222-V226 WeakPolarHBondContact O-CG2 3.45Å; S222-V226 PolarHBondContact O-N 2.97Å; Q223-V226 PolarHBondContact O-N 3.21Å; V226-V228 VanDerWaalsContact C-N 3.35Å; V226-V228 PolarHBondContact O-N 3.41Å; V226-F229 PolarHBondContact O-N 2.78Å; V226-E230 HydrophobicContact CG1-CG 4.26Å; V226-E230 WeakPolarHBondContact O-CG 3.42Å; V226-E230 PolarHBondContact O-N 3.09Å; V226-Y270 HydrophobicContact CG1-CD1 4.3Å; V226-Y270 HydrophobicContact CG1-CD2 4.4Å; V226-Y270 HydrophobicContact CG1-CE1 4.12Å; V226-Y270 HydrophobicContact CG1-CE2 4.2Å; V226-Y270 HydrophobicContact CG1-CG 4.46Å; V226-Y270 HydrophobicContact CG2-CE2 3.96Å |
| 227 | Y | 93 | Very high | 82.9 | Confident | 119 Ų | 119 | 49.7 Ų | 49.7 | 47% | 0.467 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.1 | -47.6 | 178.4 | 173.6 | -104.1 | 0 | 0 | 0 | 112.4 | Q223 E224 D231 | Q223-Y227 PolarHBondContact O-N 3Å; E224-Y227 PolarHBondContact O-N 3.15Å; Y227-D231 WeakPolarHBondContact O-CB 3.33Å; Y227-D231 PolarHBondContact O-N 2.96Å |
| 228 | V | 92.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.6 | -39.7 | 180 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | I169 Q173 L200 E224 A225 V226 D231 I232 | I169-V228 HydrophobicContact CG2-CB 4.02Å; I169-V228 HydrophobicContact CG2-CG2 3.63Å; Q173-V228 HydrophobicContact CB-CG1 3.88Å; Q173-V228 HydrophobicContact CB-CG2 3.79Å; Q173-V228 HydrophobicContact CG-CG1 4.18Å; Q173-V228 HydrophobicContact CG-CG2 4Å; L200-V228 HydrophobicContact CD1-CG1 4.07Å; L200-V228 HydrophobicContact CD2-CB 3.99Å; L200-V228 HydrophobicContact CD2-CG1 3.82Å; E224-V228 WeakPolarHBondContact O-CG2 3.46Å; E224-V228 PolarHBondContact O-N 3.27Å; A225-V228 PolarHBondContact O-N 3.26Å; V226-V228 VanDerWaalsContact C-N 3.35Å; V226-V228 PolarHBondContact O-N 3.41Å; V228-D231 PolarHBondContact O-N 3.5Å; V228-I232 HydrophobicContact CG1-CD1 3.88Å; V228-I232 WeakPolarHBondContact O-CD1 3.27Å; V228-I232 VanDerWaalsContact O-CG1 3.25Å; V228-I232 WeakPolarHBondContact O-CG1 3.43Å; V228-I232 PolarHBondContact O-N 3.35Å |
| 229 | F | 92.4 | Very high | 84.1 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.5 | -49.2 | 175.7 | 176.2 | -95.2 | 0 | 0 | 0 | 111.9 | L200 L201 M204 A225 V226 D231 I232 V233 I248 I267 L271 | L200-F229 HydrophobicContact CD1-CB 4.25Å; L201-F229 HydrophobicContact CD2-CE2 4.31Å; M204-F229 HydrophobicContact CE-CB 3.15Å; M204-F229 HydrophobicContact CE-CD1 4.05Å; M204-F229 HydrophobicContact CE-CD2 4.05Å; M204-F229 HydrophobicContact CE-CG 3.51Å; A225-F229 VanDerWaalsContact O-CB 3.28Å; A225-F229 WeakPolarHBondContact O-CB 3.34Å; A225-F229 PolarHBondContact O-N 2.61Å; V226-F229 PolarHBondContact O-N 2.78Å; F229-D231 VanDerWaalsContact C-N 3.31Å; F229-D231 PolarHBondContact O-N 3.46Å; F229-I232 WeakPolarHBondContact O-CB 3.18Å; F229-I232 PolarHBondContact O-N 3.13Å; F229-V233 HydrophobicContact CD1-CG2 4.32Å; F229-V233 HydrophobicContact CE1-CG2 4.01Å; F229-V233 HydrophobicContact CE2-CG2 4.46Å; F229-V233 HydrophobicContact CZ-CG2 4.09Å; F229-V233 WeakPolarHBondContact O-CG2 3.2Å; F229-V233 PolarHBondContact O-N 2.85Å; F229-I248 HydrophobicContact CE2-CD1 3.87Å; F229-I248 HydrophobicContact CE2-CG1 4.29Å; F229-I248 HydrophobicContact CZ-CD1 3.8Å; F229-I267 HydrophobicContact CZ-CG2 4.06Å; F229-L271 HydrophobicContact CE1-CB 4.28Å; F229-L271 HydrophobicContact CZ-CB 4.29Å |
| 230 | E | 91.1 | Very high | 84.3 | Confident | 35 Ų | 35 | 42.6 Ų | 42.6 | 16% | 0.164 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.8 | -37.3 | 177.4 | -65.3 | -172.7 | 148.7 | 0 | 0 | 111.9 | V226 V233 R234 S274 | V226-E230 HydrophobicContact CG1-CG 4.26Å; V226-E230 WeakPolarHBondContact O-CG 3.42Å; V226-E230 PolarHBondContact O-N 3.09Å; E230-V233 PolarHBondContact O-N 2.83Å; E230-R234 VanDerWaalsContact CD-NH2 3.33Å; E230-R234 WeakPolarHBondContact O-CB 3.24Å; E230-R234 WeakPolarHBondContact O-CG 3.45Å; E230-R234 PolarHBondContact O-N 3.32Å; E230-R234 IonicContact OE1-NH2 2.71Å; E230-R234 IonicContact OE2-CZ 3.72Å; E230-R234 IonicContact OE2-NH1 3.16Å; E230-R234 PolarHBondContact OE2-NH1 3.37Å; E230-R234 VanDerWaalsContact OE2-NH1 3.14Å; E230-R234 IonicContact OE2-NH2 2.85Å; E230-R234 PolarHBondContact OE2-NH2 3.44Å; E230-S274 WeakPolarHBondContact CA-OG 3.43Å; E230-S274 VanDerWaalsContact CB-OG 3.27Å; E230-S274 WeakPolarHBondContact CB-OG 3.39Å; E230-S274 VanDerWaalsContact CG-OG 3.31Å; E230-S274 WeakPolarHBondContact CG-OG 3.29Å |
| 231 | D | 85.7 | Confident | 83.9 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 16% | 0.16 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 174.3 | -171.8 | 30.6 | 0 | 0 | 0 | 111.6 | Q173 Y227 V228 F229 R234 Q235 | Q173-D231 PolarHBondContact NE2-OD2 3.39Å; Y227-D231 WeakPolarHBondContact O-CB 3.33Å; Y227-D231 PolarHBondContact O-N 2.96Å; V228-D231 PolarHBondContact O-N 3.5Å; F229-D231 VanDerWaalsContact C-N 3.31Å; F229-D231 PolarHBondContact O-N 3.46Å; D231-R234 PolarHBondContact O-N 3.31Å; D231-Q235 VanDerWaalsContact CG-NE2 3.33Å; D231-Q235 VanDerWaalsContact O-CG 3.29Å; D231-Q235 WeakPolarHBondContact O-CG 3.42Å; D231-Q235 PolarHBondContact O-N 3.42Å; D231-Q235 PolarHBondContact O-NE2 3.44Å; D231-Q235 PolarHBondContact OD1-NE2 3.01Å; D231-Q235 PolarHBondContact OD2-NE2 3.21Å |
| 232 | I | 84.4 | Confident | 83.5 | Confident | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -49.1 | 172.9 | -68.5 | 158 | 0 | 0 | 0 | 110.6 | V176 I196 L200 V228 F229 R234 Q235 A236 | V176-I232 HydrophobicContact CB-CG1 4.47Å; V176-I232 HydrophobicContact CG1-CG1 3.92Å; V176-I232 HydrophobicContact CG2-CD1 4.15Å; V176-I232 HydrophobicContact CG2-CG1 4.05Å; I196-I232 HydrophobicContact CG2-CD1 3.55Å; L200-I232 HydrophobicContact CD1-CD1 3.5Å; V228-I232 HydrophobicContact CG1-CD1 3.88Å; V228-I232 WeakPolarHBondContact O-CD1 3.27Å; V228-I232 VanDerWaalsContact O-CG1 3.25Å; V228-I232 WeakPolarHBondContact O-CG1 3.43Å; V228-I232 PolarHBondContact O-N 3.35Å; F229-I232 WeakPolarHBondContact O-CB 3.18Å; F229-I232 PolarHBondContact O-N 3.13Å; I232-R234 PolarHBondContact O-N 3.13Å; I232-Q235 PolarHBondContact O-N 3.27Å; I232-A236 PolarHBondContact O-N 3.27Å; I232-A236 VanDerWaalsContact O-N 3.15Å |
| 233 | V | 85.1 | Confident | 83.1 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.2 | -36.5 | -178.2 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | F229 E230 Q235 A236 L271 L275 | F229-V233 HydrophobicContact CD1-CG2 4.32Å; F229-V233 HydrophobicContact CE1-CG2 4.01Å; F229-V233 HydrophobicContact CE2-CG2 4.46Å; F229-V233 HydrophobicContact CZ-CG2 4.09Å; F229-V233 WeakPolarHBondContact O-CG2 3.2Å; F229-V233 PolarHBondContact O-N 2.85Å; E230-V233 PolarHBondContact O-N 2.83Å; V233-Q235 PolarHBondContact O-N 3.48Å; V233-A236 WeakPolarHBondContact O-CB 3.45Å; V233-A236 PolarHBondContact O-N 2.69Å; V233-L271 HydrophobicContact CG1-CG 4.34Å; V233-L275 HydrophobicContact CG1-CD2 3.82Å; V233-L275 HydrophobicContact CG1-CG 4.03Å |
| 234 | R | 82.8 | Confident | 82.9 | Confident | 99 Ų | 99 | 39 Ų | 39 | 37% | 0.374 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.4 | -25.3 | 176 | -76.5 | 172.4 | -170.3 | 118.4 | 5.4 | 113.3 | E230 D231 I232 S274 | E230-R234 VanDerWaalsContact CD-NH2 3.33Å; E230-R234 WeakPolarHBondContact O-CB 3.24Å; E230-R234 WeakPolarHBondContact O-CG 3.45Å; E230-R234 PolarHBondContact O-N 3.32Å; E230-R234 IonicContact OE1-NH2 2.71Å; E230-R234 IonicContact OE2-CZ 3.72Å; E230-R234 IonicContact OE2-NH1 3.16Å; E230-R234 PolarHBondContact OE2-NH1 3.37Å; E230-R234 VanDerWaalsContact OE2-NH1 3.14Å; E230-R234 IonicContact OE2-NH2 2.85Å; E230-R234 PolarHBondContact OE2-NH2 3.44Å; D231-R234 PolarHBondContact O-N 3.31Å; I232-R234 PolarHBondContact O-N 3.13Å; R234-S274 WeakPolarHBondContact CG-O 3.47Å |
| 235 | Q | 74.8 | Confident | 82.8 | Confident | 69 Ų | 69 | 37 Ų | 37 | 32% | 0.322 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -88.9 | -10.2 | 174.7 | -64.4 | 172.4 | 40.6 | 0 | 0 | 112.2 | V180 D231 I232 V233 | V180-Q235 HydrophobicContact CG1-CB 4.13Å; D231-Q235 VanDerWaalsContact CG-NE2 3.33Å; D231-Q235 VanDerWaalsContact O-CG 3.29Å; D231-Q235 WeakPolarHBondContact O-CG 3.42Å; D231-Q235 PolarHBondContact O-N 3.42Å; D231-Q235 PolarHBondContact O-NE2 3.44Å; D231-Q235 PolarHBondContact OD1-NE2 3.01Å; D231-Q235 PolarHBondContact OD2-NE2 3.21Å; I232-Q235 PolarHBondContact O-N 3.27Å; V233-Q235 PolarHBondContact O-N 3.48Å |
| 236 | A | 70.4 | Confident | 82.6 | Confident | 21 Ų | 21 | 40 Ų | 40 | 17% | 0.174 | 19% | 0.194 | C | C | . | . | trans | -68.2 | 140.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I232 V233 N240 I241 | I232-A236 PolarHBondContact O-N 3.27Å; I232-A236 VanDerWaalsContact O-N 3.15Å; V233-A236 WeakPolarHBondContact O-CB 3.45Å; V233-A236 PolarHBondContact O-N 2.69Å; A236-N240 WeakPolarHBondContact CA-OD1 3.31Å; A236-N240 VanDerWaalsContact CB-OD1 3.25Å; A236-N240 WeakPolarHBondContact CB-OD1 2.93Å; A236-I241 HydrophobicContact CB-CB 4.44Å; A236-I241 HydrophobicContact CB-CD1 3.78Å | ||
| 237 | S | 66.5 | Low | 82.5 | Confident | 38 Ų | 38 | 39 Ų | 39 | 27% | 0.266 | 19% | 0.188 | S | C | . | . | trans | -108.3 | 174.2 | 170.1 | 73.7 | 0 | 0 | 0 | 0 | 109.6 | T239 N240 I241 | S237-T239 PolarHBondContact O-N 3.22Å; S237-T239 VanDerWaalsContact O-N 3.17Å; S237-T239 PolarHBondContact OG-N 3.2Å; S237-T239 PolarHBondContact OG-OG1 3.28Å; S237-N240 VanDerWaalsContact N-CG 3.32Å; S237-N240 PolarHBondContact N-ND2 3.33Å; S237-N240 PolarHBondContact N-OD1 3.01Å; S237-N240 PolarHBondContact O-N 3.43Å; S237-N240 PolarHBondContact O-OD1 3.47Å; S237-N240 PolarHBondContact OG-ND2 2.95Å; S237-I241 PolarHBondContact O-N 3.46Å | ||
| 238 | Y | 66.4 | Low | 82.6 | Confident | 116 Ų | 116 | 33.3 Ų | 33.3 | 46% | 0.455 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -31.5 | 176.5 | 179.6 | -97.8 | 0 | 0 | 0 | 113.5 | Q279 H282 | Y238-Q279 HydrophobicContact CD2-CB 4.14Å; Y238-Q279 WeakPolarHBondContact CE2-O 3.35Å; Y238-H282 AromaticContact CE2-CE1 3.98Å; Y238-H282 AromaticContact CE2-NE2 3.78Å |
| 239 | T | 66.1 | Low | 82.8 | Confident | 75 Ų | 75 | 33.7 Ų | 33.7 | 46% | 0.46 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -21.8 | -175.4 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | E187 S237 | E187-T239 WeakPolarHBondContact OE1-CB 3.21Å; E187-T239 PolarHBondContact OE1-OG1 3.09Å; S237-T239 PolarHBondContact O-N 3.22Å; S237-T239 VanDerWaalsContact O-N 3.17Å; S237-T239 PolarHBondContact OG-N 3.2Å; S237-T239 PolarHBondContact OG-OG1 3.28Å |
| 240 | N | 70.4 | Confident | 82.9 | Confident | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.032 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -6.3 | -173.7 | 68.4 | 24.9 | 0 | 0 | 0 | 114.7 | L186 A236 S237 K242 P243 | L186-N240 HydrophobicContact CB-CB 3.56Å; L186-N240 HydrophobicContact CD1-CB 3.82Å; L186-N240 WeakPolarHBondContact CD1-ND2 3.48Å; L186-N240 HydrophobicContact CG-CB 4.32Å; A236-N240 WeakPolarHBondContact CA-OD1 3.31Å; A236-N240 VanDerWaalsContact CB-OD1 3.25Å; A236-N240 WeakPolarHBondContact CB-OD1 2.93Å; S237-N240 VanDerWaalsContact N-CG 3.32Å; S237-N240 PolarHBondContact N-ND2 3.33Å; S237-N240 PolarHBondContact N-OD1 3.01Å; S237-N240 PolarHBondContact O-N 3.43Å; S237-N240 PolarHBondContact O-OD1 3.47Å; S237-N240 PolarHBondContact OG-ND2 2.95Å; N240-K242 VanDerWaalsContact C-N 3.32Å; N240-K242 PolarHBondContact O-N 3.14Å; N240-P243 WeakPolarHBondContact O-CD 3.25Å |
| 241 | I | 80.5 | Confident | 83 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.8 | -30.2 | 179.1 | -168.4 | 67.7 | 0 | 0 | 0 | 112.5 | A236 S237 V244 V245 L275 V280 | A236-I241 HydrophobicContact CB-CB 4.44Å; A236-I241 HydrophobicContact CB-CD1 3.78Å; S237-I241 PolarHBondContact O-N 3.46Å; I241-V244 HydrophobicContact CD1-CB 4.31Å; I241-V244 WeakPolarHBondContact O-CB 3.21Å; I241-V244 PolarHBondContact O-N 2.85Å; I241-V245 HydrophobicContact CG1-CG2 3.97Å; I241-V245 WeakPolarHBondContact O-CG2 3.33Å; I241-V245 PolarHBondContact O-N 3.38Å; I241-L275 HydrophobicContact CD1-CD2 4.14Å; I241-V280 HydrophobicContact CB-CG1 3.95Å; I241-V280 HydrophobicContact CD1-CG1 4.35Å; I241-V280 HydrophobicContact CG1-CG1 3.59Å; I241-V280 HydrophobicContact CG2-CG1 3.73Å |
| 242 | K | 83.5 | Confident | 83.5 | Confident | 114 Ų | 114 | 33.6 Ų | 33.6 | 50% | 0.496 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.8 | -47.3 | -176.8 | 175.8 | -175.2 | 178.9 | -164.6 | 0 | 112.2 | N240 V244 V245 T246 | N240-K242 VanDerWaalsContact C-N 3.32Å; N240-K242 PolarHBondContact O-N 3.14Å; K242-V244 VanDerWaalsContact C-N 3.33Å; K242-V244 PolarHBondContact O-N 3.24Å; K242-V245 PolarHBondContact O-N 3.13Å; K242-T246 WeakPolarHBondContact O-CB 3.24Å; K242-T246 PolarHBondContact O-N 2.95Å; K242-T246 PolarHBondContact O-OG1 3.27Å |
| 243 | P | 84.6 | Confident | 84.1 | Confident | 11 Ų | 11 | 34.5 Ų | 34.5 | 7% | 0.071 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.4 | -40.5 | 171 | -29.4 | 34.4 | 0 | 0 | 0 | 114.3 | E190 M193 N240 T246 S247 | E190-P243 HydrophobicContact CG-CG 4.15Å; M193-P243 HydrophobicContact CB-CB 4.3Å; M193-P243 HydrophobicContact CG-CB 3.82Å; N240-P243 WeakPolarHBondContact O-CD 3.25Å; P243-T246 PolarHBondContact O-N 2.99Å; P243-S247 WeakPolarHBondContact O-CB 3.48Å; P243-S247 PolarHBondContact O-N 3.13Å |
| 244 | V | 88.3 | Confident | 84.5 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.1 | -50.3 | 176.8 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | M193 V197 I241 K242 S247 I248 | M193-V244 HydrophobicContact CG-CG2 4.22Å; M193-V244 HydrophobicContact SD-CG2 3.79Å; V197-V244 HydrophobicContact CG2-CG1 4.23Å; I241-V244 HydrophobicContact CD1-CB 4.31Å; I241-V244 WeakPolarHBondContact O-CB 3.21Å; I241-V244 PolarHBondContact O-N 2.85Å; K242-V244 VanDerWaalsContact C-N 3.33Å; K242-V244 PolarHBondContact O-N 3.24Å; V244-S247 PolarHBondContact O-N 2.85Å; V244-I248 HydrophobicContact CG1-CD1 4.15Å; V244-I248 WeakPolarHBondContact O-CG1 3.44Å; V244-I248 PolarHBondContact O-N 2.93Å |
| 245 | V | 90.8 | Very high | 85 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -43.2 | -178.9 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | I241 K242 S247 I248 L249 L271 L284 Q287 | I241-V245 HydrophobicContact CG1-CG2 3.97Å; I241-V245 WeakPolarHBondContact O-CG2 3.33Å; I241-V245 PolarHBondContact O-N 3.38Å; K242-V245 PolarHBondContact O-N 3.13Å; V245-S247 VanDerWaalsContact C-N 3.25Å; V245-S247 PolarHBondContact O-N 2.6Å; V245-I248 WeakPolarHBondContact O-CB 3.1Å; V245-I248 PolarHBondContact O-N 3.41Å; V245-L249 HydrophobicContact CG1-CD1 4.03Å; V245-L249 HydrophobicContact CG1-CG 4.34Å; V245-L249 WeakPolarHBondContact O-CG 3.47Å; V245-L249 PolarHBondContact O-N 2.79Å; V245-L271 HydrophobicContact CG2-CD1 4.17Å; V245-L284 HydrophobicContact CB-CD2 4.35Å; V245-L284 HydrophobicContact CG1-CD2 4.23Å; V245-L284 HydrophobicContact CG2-CD2 3.23Å; V245-Q287 HydrophobicContact CG1-CB 4.48Å |
| 246 | T | 91.2 | Very high | 85.8 | Confident | 63 Ų | 63 | 45 Ų | 45 | 39% | 0.387 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59 | -40.5 | 177.2 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | K242 P243 L249 T250 | K242-T246 WeakPolarHBondContact O-CB 3.24Å; K242-T246 PolarHBondContact O-N 2.95Å; K242-T246 PolarHBondContact O-OG1 3.27Å; P243-T246 PolarHBondContact O-N 2.99Å; T246-L249 PolarHBondContact O-N 3.09Å; T246-T250 VanDerWaalsContact O-CB 3.31Å; T246-T250 WeakPolarHBondContact O-CB 3.49Å; T246-T250 PolarHBondContact O-N 3.09Å; T246-T250 PolarHBondContact O-OG1 3.1Å |
| 247 | S | 92.2 | Very high | 86.9 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.3 | -38.8 | 177.3 | -156.8 | 0 | 0 | 0 | 0 | 112.7 | M193 D194 P243 V244 V245 H251 | M193-S247 PolarHBondContact O-OG 3.28Å; D194-S247 VanDerWaalsContact CA-OG 3.29Å; D194-S247 WeakPolarHBondContact CA-OG 3.45Å; D194-S247 PolarHBondContact N-OG 3.35Å; D194-S247 VanDerWaalsContact OD1-CB 3.29Å; D194-S247 WeakPolarHBondContact OD1-CB 3.4Å; D194-S247 PolarHBondContact OD1-OG 2.63Å; P243-S247 WeakPolarHBondContact O-CB 3.48Å; P243-S247 PolarHBondContact O-N 3.13Å; V244-S247 PolarHBondContact O-N 2.85Å; V245-S247 VanDerWaalsContact C-N 3.25Å; V245-S247 PolarHBondContact O-N 2.6Å; S247-H251 WeakPolarHBondContact O-CB 3.45Å; S247-H251 PolarHBondContact O-N 3.3Å |
| 248 | I | 94.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59 | -52.6 | 172.3 | -65.1 | 167 | 0 | 0 | 0 | 110.1 | V197 L201 F229 V244 V245 T250 H251 L252 I267 F268 L271 | V197-I248 HydrophobicContact CG1-CG1 3.65Å; L201-I248 HydrophobicContact CD1-CB 4.42Å; L201-I248 HydrophobicContact CD1-CG1 4.28Å; L201-I248 HydrophobicContact CD1-CG2 4.31Å; F229-I248 HydrophobicContact CE2-CD1 3.87Å; F229-I248 HydrophobicContact CE2-CG1 4.29Å; F229-I248 HydrophobicContact CZ-CD1 3.8Å; V244-I248 HydrophobicContact CG1-CD1 4.15Å; V244-I248 WeakPolarHBondContact O-CG1 3.44Å; V244-I248 PolarHBondContact O-N 2.93Å; V245-I248 WeakPolarHBondContact O-CB 3.1Å; V245-I248 PolarHBondContact O-N 3.41Å; I248-T250 PolarHBondContact O-N 3.47Å; I248-H251 PolarHBondContact O-N 3.13Å; I248-L252 HydrophobicContact CG2-CD1 3.98Å; I248-L252 HydrophobicContact CG2-CG 4.36Å; I248-L252 WeakPolarHBondContact O-CG 3.2Å; I248-L252 PolarHBondContact O-N 3.36Å; I248-I267 HydrophobicContact CD1-CG2 4.32Å; I248-I267 HydrophobicContact CG2-CG2 3.91Å; I248-F268 HydrophobicContact CG2-CE2 4.04Å; I248-F268 HydrophobicContact CG2-CZ 4.27Å; I248-L271 HydrophobicContact CD1-CD1 3.53Å |
| 249 | L | 95.9 | Very high | 89.4 | Confident | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.1 | -49.7 | -178.8 | -66.7 | 174.4 | 0 | 0 | 0 | 111 | V245 T246 H251 L252 D253 W258 F268 L288 H291 | V245-L249 HydrophobicContact CG1-CD1 4.03Å; V245-L249 HydrophobicContact CG1-CG 4.34Å; V245-L249 WeakPolarHBondContact O-CG 3.47Å; V245-L249 PolarHBondContact O-N 2.79Å; T246-L249 PolarHBondContact O-N 3.09Å; L249-H251 VanDerWaalsContact C-N 3.27Å; L249-H251 PolarHBondContact O-N 2.98Å; L249-L252 PolarHBondContact O-N 3.43Å; L249-L252 VanDerWaalsContact O-N 3.12Å; L249-D253 PolarHBondContact O-N 2.87Å; L249-W258 HydrophobicContact CD2-CH2 3.74Å; L249-W258 HydrophobicContact CD2-CZ2 3.8Å; L249-F268 HydrophobicContact CD2-CE2 4.46Å; L249-F268 HydrophobicContact CD2-CZ 4.01Å; L249-L288 HydrophobicContact CD2-CD2 3.86Å; L249-H291 HydrophobicContact CD1-CB 4.17Å |
| 250 | T | 94.5 | Very high | 90.6 | Very high | 56 Ų | 56 | 43.3 Ų | 43.3 | 34% | 0.344 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58 | -39.2 | 178.1 | -57.5 | 0 | 0 | 0 | 0 | 112 | T246 I248 N254 | T246-T250 VanDerWaalsContact O-CB 3.31Å; T246-T250 WeakPolarHBondContact O-CB 3.49Å; T246-T250 PolarHBondContact O-N 3.09Å; T246-T250 PolarHBondContact O-OG1 3.1Å; I248-T250 PolarHBondContact O-N 3.47Å; T250-N254 WeakPolarHBondContact CG2-ND2 3.27Å; T250-N254 VanDerWaalsContact O-CB 3.28Å; T250-N254 WeakPolarHBondContact O-CB 3.34Å; T250-N254 PolarHBondContact O-N 2.94Å; T250-N254 PolarHBondContact O-ND2 3.23Å; T250-N254 VanDerWaalsContact O-ND2 3.08Å |
| 251 | H | 94.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.8 | -46.6 | 176 | -175.5 | 79.9 | 0 | 0 | 0 | 112 | L201 S247 I248 L249 D253 N254 H255 | L201-H251 HydrophobicContact CD1-CB 3.92Å; S247-H251 WeakPolarHBondContact O-CB 3.45Å; S247-H251 PolarHBondContact O-N 3.3Å; I248-H251 PolarHBondContact O-N 3.13Å; L249-H251 VanDerWaalsContact C-N 3.27Å; L249-H251 PolarHBondContact O-N 2.98Å; H251-D253 VanDerWaalsContact C-N 3.32Å; H251-D253 PolarHBondContact O-N 2.88Å; H251-N254 PolarHBondContact O-N 3.18Å; H251-H255 AromaticContact CE1-CD2 3.25Å; H251-H255 PolarHBondContact CE1-CD2 3.41Å; H251-H255 AromaticContact CE1-NE2 3.5Å; H251-H255 PolarHBondContact CE1-NE2 3.36Å; H251-H255 AromaticContact CG-CD2 3.86Å; H251-H255 AromaticContact ND1-CD2 3.26Å; H251-H255 PolarHBondContact ND1-CD2 3.44Å; H251-H255 VanDerWaalsContact ND1-CD2 3.26Å; H251-H255 AromaticContact ND1-NE2 3.56Å; H251-H255 AromaticContact NE2-CD2 3.81Å; H251-H255 WeakPolarHBondContact O-CB 3.33Å; H251-H255 PolarHBondContact O-CD2 3.41Å; H251-H255 VanDerWaalsContact O-CD2 3.27Å; H251-H255 PolarHBondContact O-N 3.24Å; H251-H255 VanDerWaalsContact O-N 3.09Å |
| 252 | L | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 178.2 | -67 | 175 | 0 | 0 | 0 | 111.5 | I248 L249 K256 L257 W258 F263 P264 F268 | I248-L252 HydrophobicContact CG2-CD1 3.98Å; I248-L252 HydrophobicContact CG2-CG 4.36Å; I248-L252 WeakPolarHBondContact O-CG 3.2Å; I248-L252 PolarHBondContact O-N 3.36Å; L249-L252 PolarHBondContact O-N 3.43Å; L249-L252 VanDerWaalsContact O-N 3.12Å; L252-K256 WeakPolarHBondContact O-CA 3.34Å; L252-K256 PolarHBondContact O-N 3.15Å; L252-L257 HydrophobicContact CD2-CB 3.67Å; L252-L257 HydrophobicContact CD2-CD1 4.21Å; L252-L257 PolarHBondContact O-N 3.4Å; L252-W258 HydrophobicContact CB-CD2 4.38Å; L252-W258 HydrophobicContact CB-CZ2 3.97Å; L252-W258 HydrophobicContact CD1-CH2 3.8Å; L252-W258 HydrophobicContact CD1-CZ2 3.82Å; L252-W258 HydrophobicContact CD1-CZ3 4.21Å; L252-F263 HydrophobicContact CD2-CD1 3.95Å; L252-F263 HydrophobicContact CD2-CE1 3.95Å; L252-P264 HydrophobicContact CD1-CB 4.3Å; L252-P264 HydrophobicContact CD2-CG 4.37Å; L252-F268 HydrophobicContact CD1-CE2 4.17Å |
| 253 | D | 95.5 | Very high | 92.7 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 17% | 0.171 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -53 | 178.8 | -59.3 | -16 | 0 | 0 | 0 | 111.5 | L249 H251 H255 K256 W258 H291 H295 F299 | L249-D253 PolarHBondContact O-N 2.87Å; H251-D253 VanDerWaalsContact C-N 3.32Å; H251-D253 PolarHBondContact O-N 2.88Å; D253-H255 VanDerWaalsContact C-N 3.27Å; D253-H255 PolarHBondContact O-N 3.36Å; D253-K256 PolarHBondContact O-N 2.9Å; D253-W258 PolarHBondContact OD1-NE1 3.02Å; D253-H291 IonicContact OD1-CE1 3.76Å; D253-H291 IonicContact OD1-NE2 3.98Å; D253-H291 PolarHBondContact OD1-NE2 2.75Å; D253-H291 IonicContact OD2-CE1 3.35Å; D253-H291 PolarHBondContact OD2-CE1 3.1Å; D253-H291 IonicContact OD2-NE2 3.91Å; D253-H291 PolarHBondContact OD2-NE2 3.18Å; D253-H295 IonicContact OD2-NE2 3.82Å; D253-F299 VanDerWaalsContact OD1-CZ 3.25Å; D253-F299 WeakPolarHBondContact OD1-CZ 3.41Å |
| 254 | N | 93.9 | Very high | 93.3 | Very high | 122 Ų | 122 | 43.3 Ų | 43.3 | 65% | 0.652 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.6 | -33.3 | -175.5 | -74.6 | -27.5 | 0 | 0 | 0 | 112.7 | T250 H251 | T250-N254 WeakPolarHBondContact CG2-ND2 3.27Å; T250-N254 VanDerWaalsContact O-CB 3.28Å; T250-N254 WeakPolarHBondContact O-CB 3.34Å; T250-N254 PolarHBondContact O-N 2.94Å; T250-N254 PolarHBondContact O-ND2 3.23Å; T250-N254 VanDerWaalsContact O-ND2 3.08Å; H251-N254 PolarHBondContact O-N 3.18Å |
| 255 | H | 92.8 | Very high | 93.6 | Very high | 112 Ų | 112 | 44.5 Ų | 44.5 | 52% | 0.519 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 3.3 | -179.1 | -67.5 | -75.1 | 0 | 0 | 0 | 113.8 | H251 D253 L257 | H251-H255 AromaticContact CE1-CD2 3.25Å; H251-H255 PolarHBondContact CE1-CD2 3.41Å; H251-H255 AromaticContact CE1-NE2 3.5Å; H251-H255 PolarHBondContact CE1-NE2 3.36Å; H251-H255 AromaticContact CG-CD2 3.86Å; H251-H255 AromaticContact ND1-CD2 3.26Å; H251-H255 PolarHBondContact ND1-CD2 3.44Å; H251-H255 VanDerWaalsContact ND1-CD2 3.26Å; H251-H255 AromaticContact ND1-NE2 3.56Å; H251-H255 AromaticContact NE2-CD2 3.81Å; H251-H255 WeakPolarHBondContact O-CB 3.33Å; H251-H255 PolarHBondContact O-CD2 3.41Å; H251-H255 VanDerWaalsContact O-CD2 3.27Å; H251-H255 PolarHBondContact O-N 3.24Å; H251-H255 VanDerWaalsContact O-N 3.09Å; D253-H255 VanDerWaalsContact C-N 3.27Å; D253-H255 PolarHBondContact O-N 3.36Å; H255-L257 VanDerWaalsContact C-N 3.29Å; H255-L257 HydrophobicContact CB-CD1 3.75Å; H255-L257 HydrophobicContact CB-CD2 4.35Å; H255-L257 HydrophobicContact CB-CG 3.67Å; H255-L257 PolarHBondContact O-N 3.2Å |
| 256 | K | 92.6 | Very high | 93.7 | Very high | 155 Ų | 155 | 46.7 Ų | 46.7 | 67% | 0.674 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 44.7 | -178.6 | -58 | -172.1 | 175.1 | -167.8 | 0 | 113 | L252 D253 W258 | L252-K256 WeakPolarHBondContact O-CA 3.34Å; L252-K256 PolarHBondContact O-N 3.15Å; D253-K256 PolarHBondContact O-N 2.9Å; K256-W258 VanDerWaalsContact C-N 3.32Å |
| 257 | L | 94.1 | Very high | 93.9 | Very high | 44 Ų | 44 | 43.7 Ų | 43.7 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 6.4 | -174.8 | -63.1 | 174.1 | 0 | 0 | 0 | 113.3 | L252 H255 D259 F263 P264 | L252-L257 HydrophobicContact CD2-CB 3.67Å; L252-L257 HydrophobicContact CD2-CD1 4.21Å; L252-L257 PolarHBondContact O-N 3.4Å; H255-L257 VanDerWaalsContact C-N 3.29Å; H255-L257 HydrophobicContact CB-CD1 3.75Å; H255-L257 HydrophobicContact CB-CD2 4.35Å; H255-L257 HydrophobicContact CB-CG 3.67Å; H255-L257 PolarHBondContact O-N 3.2Å; L257-D259 VanDerWaalsContact C-N 3.3Å; L257-F263 HydrophobicContact CB-CD1 4.32Å; L257-F263 HydrophobicContact CD1-CD1 4.33Å; L257-F263 HydrophobicContact CD1-CE1 4.11Å; L257-P264 WeakPolarHBondContact O-CD 3.3Å; L257-P264 WeakPolarHBondContact O-CG 3.38Å |
| 258 | W | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -24.4 | 176.2 | -68.4 | 105.8 | 0 | 0 | 0 | 113 | L249 L252 D253 K256 P260 C261 P264 F299 E303 S306 L307 V310 | L249-W258 HydrophobicContact CD2-CH2 3.74Å; L249-W258 HydrophobicContact CD2-CZ2 3.8Å; L252-W258 HydrophobicContact CB-CD2 4.38Å; L252-W258 HydrophobicContact CB-CZ2 3.97Å; L252-W258 HydrophobicContact CD1-CH2 3.8Å; L252-W258 HydrophobicContact CD1-CZ2 3.82Å; L252-W258 HydrophobicContact CD1-CZ3 4.21Å; D253-W258 PolarHBondContact OD1-NE1 3.02Å; K256-W258 VanDerWaalsContact C-N 3.32Å; W258-P260 CarbonylContact O-C 3.59Å; W258-C261 PolarHBondContact O-N 3.17Å; W258-P264 HydrophobicContact CE3-CB 4.01Å; W258-P264 HydrophobicContact CE3-CG 4.02Å; W258-P264 HydrophobicContact CZ3-CB 4.09Å; W258-F299 AromaticContact NE1-CE2 3.91Å; W258-F299 AromaticContact NE1-CZ 3.8Å; W258-E303 HydrophobicContact CB-CB 3.81Å; W258-E303 HydrophobicContact CB-CG 3.78Å; W258-E303 HydrophobicContact CG-CB 4.42Å; W258-S306 WeakPolarHBondContact O-CB 3.41Å; W258-S306 PolarHBondContact O-OG 3.49Å; W258-L307 HydrophobicContact CE3-CB 4.18Å; W258-L307 HydrophobicContact CH2-CB 4.48Å; W258-L307 HydrophobicContact CH2-CD1 3.61Å; W258-L307 HydrophobicContact CH2-CG 4.48Å; W258-L307 HydrophobicContact CZ2-CD1 4.43Å; W258-L307 HydrophobicContact CZ3-CB 3.99Å; W258-L307 HydrophobicContact CZ3-CD1 3.76Å; W258-L307 HydrophobicContact CZ3-CG 4.41Å; W258-V310 HydrophobicContact CZ3-CG2 4.19Å |
| 259 | D | 90.6 | Very high | 93.9 | Very high | 91 Ų | 91 | 46.1 Ų | 46.1 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -122.4 | 116.3 | 178.9 | -170.7 | 7.1 | 0 | 0 | 0 | 110.8 | L257 S302 | L257-D259 VanDerWaalsContact C-N 3.3Å; D259-S302 PolarHBondContact OD1-OG 3.45Å; D259-S302 VanDerWaalsContact OD2-CB 3.32Å; D259-S302 WeakPolarHBondContact OD2-CB 3.32Å; D259-S302 PolarHBondContact OD2-OG 2.71Å |
| 260 | P | 89.6 | Confident | 93.7 | Very high | 80 Ų | 80 | 48.7 Ų | 48.7 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | S | Bend | cis | -74.4 | 156.2 | 1.9 | 31.5 | -36.1 | 0 | 0 | 0 | 113.8 | W258 D262 | W258-P260 CarbonylContact O-C 3.59Å; P260-D262 PolarHBondContact O-N 3.19Å; P260-D262 VanDerWaalsContact O-N 3.11Å |
| 261 | C | 92.3 | Very high | 93.6 | Very high | 31 Ų | 31 | 46 Ų | 46 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -11.6 | -178.1 | 67.7 | 0 | 0 | 0 | 0 | 115.8 | W258 F263 P264 L265 S306 Q309 | W258-C261 PolarHBondContact O-N 3.17Å; C261-F263 VanDerWaalsContact C-N 3.33Å; C261-F263 PolarHBondContact O-N 3.15Å; C261-P264 WeakPolarHBondContact O-CD 3.03Å; C261-L265 HydrophobicContact CB-CD1 4.21Å; C261-L265 WeakPolarHBondContact O-CB 3.44Å; C261-L265 VanDerWaalsContact O-CG 3.27Å; C261-L265 WeakPolarHBondContact O-CG 3.17Å; C261-L265 PolarHBondContact O-N 3.35Å; C261-S306 WeakPolarHBondContact CA-OG 3.09Å; C261-S306 VanDerWaalsContact CB-OG 3.24Å; C261-S306 WeakPolarHBondContact CB-OG 3.47Å; C261-Q309 PolarHBondContact SG-OE1 3.21Å |
| 262 | D | 92.9 | Very high | 93.3 | Very high | 68 Ų | 68 | 46.6 Ų | 46.6 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.7 | -42.2 | -173.4 | -59.6 | -48.4 | 0 | 0 | 0 | 112.2 | P260 L266 | P260-D262 PolarHBondContact O-N 3.19Å; P260-D262 VanDerWaalsContact O-N 3.11Å; D262-L266 VanDerWaalsContact O-CB 3.32Å; D262-L266 WeakPolarHBondContact O-CB 3.36Å; D262-L266 PolarHBondContact O-N 3.14Å |
| 263 | F | 94.5 | Very high | 93 | Very high | 32 Ų | 32 | 51.3 Ų | 51.3 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.8 | -49 | -178 | -178 | -102.2 | 0 | 0 | 0 | 112.9 | L201 M204 C205 L252 L257 C261 L265 L266 I267 | L201-F263 HydrophobicContact CB-CZ 4.48Å; M204-F263 HydrophobicContact CB-CE2 3.99Å; M204-F263 HydrophobicContact CB-CZ 4.32Å; C205-F263 HydrophobicContact CB-CE2 4.26Å; C205-F263 HydrophobicContact CB-CZ 4.34Å; C205-F263 WeakPolarHBondContact SG-CE1 3.5Å; C205-F263 WeakPolarHBondContact SG-CE2 3.46Å; C205-F263 WeakPolarHBondContact SG-CZ 3.45Å; L252-F263 HydrophobicContact CD2-CD1 3.95Å; L252-F263 HydrophobicContact CD2-CE1 3.95Å; L257-F263 HydrophobicContact CB-CD1 4.32Å; L257-F263 HydrophobicContact CD1-CD1 4.33Å; L257-F263 HydrophobicContact CD1-CE1 4.11Å; C261-F263 VanDerWaalsContact C-N 3.33Å; C261-F263 PolarHBondContact O-N 3.15Å; F263-L265 VanDerWaalsContact C-N 3.31Å; F263-L265 PolarHBondContact O-N 2.49Å; F263-L266 WeakPolarHBondContact O-CB 3.5Å; F263-L266 PolarHBondContact O-N 3.31Å; F263-L266 VanDerWaalsContact O-N 3.15Å; F263-I267 HydrophobicContact CD1-CG1 4.21Å; F263-I267 HydrophobicContact CD2-CG1 4.3Å; F263-I267 HydrophobicContact CE1-CD1 4.28Å; F263-I267 HydrophobicContact CE1-CG1 3.67Å; F263-I267 HydrophobicContact CE2-CD1 3.67Å; F263-I267 HydrophobicContact CE2-CG1 3.79Å; F263-I267 HydrophobicContact CG-CG1 4.49Å; F263-I267 HydrophobicContact CZ-CD1 3.51Å; F263-I267 HydrophobicContact CZ-CG1 3.42Å; F263-I267 VanDerWaalsContact CZ-CG1 3.42Å; F263-I267 WeakPolarHBondContact O-CG1 3.36Å; F263-I267 PolarHBondContact O-N 2.98Å |
| 264 | P | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.2 | -46.6 | 171.5 | -26 | 30.6 | 0 | 0 | 0 | 112.9 | L252 L257 W258 C261 L266 I267 F268 V310 | L252-P264 HydrophobicContact CD1-CB 4.3Å; L252-P264 HydrophobicContact CD2-CG 4.37Å; L257-P264 WeakPolarHBondContact O-CD 3.3Å; L257-P264 WeakPolarHBondContact O-CG 3.38Å; W258-P264 HydrophobicContact CE3-CB 4.01Å; W258-P264 HydrophobicContact CE3-CG 4.02Å; W258-P264 HydrophobicContact CZ3-CB 4.09Å; C261-P264 WeakPolarHBondContact O-CD 3.03Å; P264-L266 VanDerWaalsContact C-N 3.32Å; P264-L266 PolarHBondContact O-N 3.23Å; P264-I267 PolarHBondContact O-N 2.97Å; P264-F268 WeakPolarHBondContact O-CD2 3.14Å; P264-F268 PolarHBondContact O-N 2.75Å; P264-V310 HydrophobicContact CB-CG2 3.79Å |
| 265 | L | 95.3 | Very high | 92.1 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.6 | -43 | 177.8 | -72.4 | 170 | 0 | 0 | 0 | 111.6 | C261 F263 Q269 Q309 V310 L313 | C261-L265 HydrophobicContact CB-CD1 4.21Å; C261-L265 WeakPolarHBondContact O-CB 3.44Å; C261-L265 VanDerWaalsContact O-CG 3.27Å; C261-L265 WeakPolarHBondContact O-CG 3.17Å; C261-L265 PolarHBondContact O-N 3.35Å; F263-L265 VanDerWaalsContact C-N 3.31Å; F263-L265 PolarHBondContact O-N 2.49Å; L265-Q269 VanDerWaalsContact O-CB 3.3Å; L265-Q269 WeakPolarHBondContact O-CB 3.49Å; L265-Q269 PolarHBondContact O-N 3.04Å; L265-Q309 HydrophobicContact CD2-CB 4.32Å; L265-V310 HydrophobicContact CD2-CG2 3.95Å; L265-V310 HydrophobicContact CG-CG2 4.3Å; L265-L313 HydrophobicContact CD2-CB 4.1Å; L265-L313 HydrophobicContact CD2-CD2 3.94Å; L265-L313 WeakPolarHBondContact O-CD2 3.43Å |
| 266 | L | 94 | Very high | 91.1 | Very high | 45 Ų | 45 | 48.5 Ų | 48.5 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 178 | -176.1 | 66.1 | 0 | 0 | 0 | 112.5 | D262 F263 P264 Q269 Y270 F815 | D262-L266 VanDerWaalsContact O-CB 3.32Å; D262-L266 WeakPolarHBondContact O-CB 3.36Å; D262-L266 PolarHBondContact O-N 3.14Å; F263-L266 WeakPolarHBondContact O-CB 3.5Å; F263-L266 PolarHBondContact O-N 3.31Å; F263-L266 VanDerWaalsContact O-N 3.15Å; P264-L266 VanDerWaalsContact C-N 3.32Å; P264-L266 PolarHBondContact O-N 3.23Å; L266-Q269 WeakPolarHBondContact O-CB 3.36Å; L266-Q269 PolarHBondContact O-N 2.8Å; L266-Y270 HydrophobicContact CD1-CD2 4.46Å; L266-Y270 HydrophobicContact CD1-CE1 4.36Å; L266-Y270 HydrophobicContact CD1-CE2 3.76Å; L266-Y270 HydrophobicContact CD2-CE2 3.99Å; L266-Y270 HydrophobicContact CG-CD2 4.13Å; L266-Y270 HydrophobicContact CG-CE2 3.54Å; L266-Y270 WeakPolarHBondContact O-CD2 3.4Å; L266-Y270 PolarHBondContact O-N 3.13Å; L266-F815 HydrophobicContact CD1-CD2 4.48Å; L266-F815 HydrophobicContact CD1-CE2 4.02Å; L266-F815 HydrophobicContact CD1-CZ 4.4Å |
| 267 | I | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | 179.9 | -64.5 | -53.8 | 0 | 0 | 0 | 111.5 | L201 M204 F229 I248 F263 P264 Q269 Y270 L271 | L201-I267 HydrophobicContact CD2-CD1 3.59Å; L201-I267 HydrophobicContact CD2-CG1 3.92Å; L201-I267 HydrophobicContact CD2-CG2 3.79Å; M204-I267 HydrophobicContact CB-CD1 4.38Å; M204-I267 HydrophobicContact SD-CD1 3.33Å; M204-I267 WeakPolarHBondContact SD-CD1 3.48Å; F229-I267 HydrophobicContact CZ-CG2 4.06Å; I248-I267 HydrophobicContact CD1-CG2 4.32Å; I248-I267 HydrophobicContact CG2-CG2 3.91Å; F263-I267 HydrophobicContact CD1-CG1 4.21Å; F263-I267 HydrophobicContact CD2-CG1 4.3Å; F263-I267 HydrophobicContact CE1-CD1 4.28Å; F263-I267 HydrophobicContact CE1-CG1 3.67Å; F263-I267 HydrophobicContact CE2-CD1 3.67Å; F263-I267 HydrophobicContact CE2-CG1 3.79Å; F263-I267 HydrophobicContact CG-CG1 4.49Å; F263-I267 HydrophobicContact CZ-CD1 3.51Å; F263-I267 HydrophobicContact CZ-CG1 3.42Å; F263-I267 VanDerWaalsContact CZ-CG1 3.42Å; F263-I267 WeakPolarHBondContact O-CG1 3.36Å; F263-I267 PolarHBondContact O-N 2.98Å; P264-I267 PolarHBondContact O-N 2.97Å; I267-Q269 VanDerWaalsContact C-N 3.3Å; I267-Q269 PolarHBondContact O-N 2.85Å; I267-Y270 HydrophobicContact CD1-CD2 4.5Å; I267-Y270 PolarHBondContact O-N 2.71Å; I267-L271 WeakPolarHBondContact O-CB 3.36Å; I267-L271 PolarHBondContact O-N 2.73Å |
| 268 | F | 94.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69 | -30.1 | 176.4 | -83.3 | -87.2 | 0 | 0 | 0 | 112.2 | I248 L249 L252 P264 L271 L272 L288 V310 L313 V314 | I248-F268 HydrophobicContact CG2-CE2 4.04Å; I248-F268 HydrophobicContact CG2-CZ 4.27Å; L249-F268 HydrophobicContact CD2-CE2 4.46Å; L249-F268 HydrophobicContact CD2-CZ 4.01Å; L252-F268 HydrophobicContact CD1-CE2 4.17Å; P264-F268 WeakPolarHBondContact O-CD2 3.14Å; P264-F268 PolarHBondContact O-N 2.75Å; F268-L271 PolarHBondContact O-N 3.13Å; F268-L272 WeakPolarHBondContact O-CB 3.43Å; F268-L272 WeakPolarHBondContact O-CD1 3.41Å; F268-L272 WeakPolarHBondContact O-CG 3.28Å; F268-L272 PolarHBondContact O-N 2.84Å; F268-L288 HydrophobicContact CD1-CD1 4.38Å; F268-L288 HydrophobicContact CE1-CD1 4.04Å; F268-L288 HydrophobicContact CE1-CD2 3.87Å; F268-L288 HydrophobicContact CE1-CG 4.3Å; F268-L288 HydrophobicContact CE2-CD2 4.36Å; F268-L288 HydrophobicContact CZ-CD2 3.65Å; F268-V310 HydrophobicContact CB-CG1 3.96Å; F268-V310 HydrophobicContact CD1-CG1 3.92Å; F268-V310 HydrophobicContact CD2-CG1 3.43Å; F268-V310 VanDerWaalsContact CD2-CG1 3.43Å; F268-V310 HydrophobicContact CD2-CG2 4.44Å; F268-V310 HydrophobicContact CE1-CG1 4.31Å; F268-V310 HydrophobicContact CE2-CG1 3.86Å; F268-V310 HydrophobicContact CG-CG1 3.47Å; F268-V310 VanDerWaalsContact CG-CG1 3.47Å; F268-V310 HydrophobicContact CZ-CG1 4.29Å; F268-L313 HydrophobicContact CB-CD2 4.38Å; F268-V314 HydrophobicContact CD1-CG2 4.26Å |
| 269 | Q | 92.8 | Very high | 87.6 | Confident | 53 Ų | 53 | 51.3 Ų | 51.3 | 25% | 0.248 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -51.1 | 170.4 | -175.1 | 61.8 | 43.4 | 0 | 0 | 111.4 | L265 L266 I267 L271 L272 D273 L313 | L265-Q269 VanDerWaalsContact O-CB 3.3Å; L265-Q269 WeakPolarHBondContact O-CB 3.49Å; L265-Q269 PolarHBondContact O-N 3.04Å; L266-Q269 WeakPolarHBondContact O-CB 3.36Å; L266-Q269 PolarHBondContact O-N 2.8Å; I267-Q269 VanDerWaalsContact C-N 3.3Å; I267-Q269 PolarHBondContact O-N 2.85Å; Q269-L271 VanDerWaalsContact C-N 3.26Å; Q269-L271 PolarHBondContact O-N 3.05Å; Q269-L272 PolarHBondContact O-N 3.36Å; Q269-L272 VanDerWaalsContact O-N 3.13Å; Q269-D273 PolarHBondContact NE2-OD1 3.35Å; Q269-D273 PolarHBondContact NE2-OD2 3.17Å; Q269-D273 PolarHBondContact O-N 3.45Å; Q269-L313 HydrophobicContact CB-CD2 4.36Å |
| 270 | Y | 92.6 | Very high | 86.9 | Confident | 63 Ų | 63 | 47.1 Ų | 47.1 | 25% | 0.247 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.4 | -38.1 | 176.1 | -68.6 | -42.9 | 0 | 0 | 0 | 112.8 | V226 L266 I267 S274 | V226-Y270 HydrophobicContact CG1-CD1 4.3Å; V226-Y270 HydrophobicContact CG1-CD2 4.4Å; V226-Y270 HydrophobicContact CG1-CE1 4.12Å; V226-Y270 HydrophobicContact CG1-CE2 4.2Å; V226-Y270 HydrophobicContact CG1-CG 4.46Å; V226-Y270 HydrophobicContact CG2-CE2 3.96Å; L266-Y270 HydrophobicContact CD1-CD2 4.46Å; L266-Y270 HydrophobicContact CD1-CE1 4.36Å; L266-Y270 HydrophobicContact CD1-CE2 3.76Å; L266-Y270 HydrophobicContact CD2-CE2 3.99Å; L266-Y270 HydrophobicContact CG-CD2 4.13Å; L266-Y270 HydrophobicContact CG-CE2 3.54Å; L266-Y270 WeakPolarHBondContact O-CD2 3.4Å; L266-Y270 PolarHBondContact O-N 3.13Å; I267-Y270 HydrophobicContact CD1-CD2 4.5Å; I267-Y270 PolarHBondContact O-N 2.71Å; Y270-S274 VanDerWaalsContact O-CB 3.28Å; Y270-S274 WeakPolarHBondContact O-CB 3.24Å; Y270-S274 PolarHBondContact O-N 2.85Å; Y270-S274 PolarHBondContact O-OG 3.16Å |
| 271 | L | 91.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -50.7 | 174.6 | -173.8 | 153.7 | 0 | 0 | 0 | 110.3 | F229 V233 V245 I248 I267 F268 Q269 S274 L275 L284 | F229-L271 HydrophobicContact CE1-CB 4.28Å; F229-L271 HydrophobicContact CZ-CB 4.29Å; V233-L271 HydrophobicContact CG1-CG 4.34Å; V245-L271 HydrophobicContact CG2-CD1 4.17Å; I248-L271 HydrophobicContact CD1-CD1 3.53Å; I267-L271 WeakPolarHBondContact O-CB 3.36Å; I267-L271 PolarHBondContact O-N 2.73Å; F268-L271 PolarHBondContact O-N 3.13Å; Q269-L271 VanDerWaalsContact C-N 3.26Å; Q269-L271 PolarHBondContact O-N 3.05Å; L271-S274 PolarHBondContact O-N 3.1Å; L271-L275 HydrophobicContact CD2-CD1 3.53Å; L271-L275 HydrophobicContact CD2-CG 4.2Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.44Å; L271-L275 PolarHBondContact O-N 3.4Å; L271-L284 HydrophobicContact CD2-CD1 3.33Å; L271-L284 HydrophobicContact CD2-CD2 4.08Å; L271-L284 HydrophobicContact CD2-CG 4.34Å |
| 272 | L | 89.4 | Confident | 85.7 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 10% | 0.099 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | -179.8 | -70.9 | 166.8 | 0 | 0 | 0 | 112.6 | F268 Q269 S274 L275 L284 L313 V314 | F268-L272 WeakPolarHBondContact O-CB 3.43Å; F268-L272 WeakPolarHBondContact O-CD1 3.41Å; F268-L272 WeakPolarHBondContact O-CG 3.28Å; F268-L272 PolarHBondContact O-N 2.84Å; Q269-L272 PolarHBondContact O-N 3.36Å; Q269-L272 VanDerWaalsContact O-N 3.13Å; L272-S274 PolarHBondContact O-N 3.42Å; L272-L275 PolarHBondContact O-N 2.89Å; L272-L284 HydrophobicContact CD2-CD1 4.03Å; L272-L313 HydrophobicContact CD1-CD2 4.44Å; L272-L313 HydrophobicContact CD1-CG 4.1Å; L272-V314 HydrophobicContact CD1-CG2 4.07Å; L272-V314 HydrophobicContact CD2-CG1 4.21Å; L272-V314 HydrophobicContact CD2-CG2 4.35Å |
| 273 | D | 88.9 | Confident | 85.3 | Confident | 99 Ų | 99 | 41.1 Ų | 41.1 | 53% | 0.529 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.1 | -26.8 | 179.6 | -69.6 | -25.8 | 0 | 0 | 0 | 112.5 | Q269 | Q269-D273 PolarHBondContact NE2-OD1 3.35Å; Q269-D273 PolarHBondContact NE2-OD2 3.17Å; Q269-D273 PolarHBondContact O-N 3.45Å |
| 274 | S | 87.5 | Confident | 85 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -85.2 | -18 | 178.6 | -64.6 | 0 | 0 | 0 | 0 | 113.7 | E230 R234 Y270 L271 L272 | E230-S274 WeakPolarHBondContact CA-OG 3.43Å; E230-S274 VanDerWaalsContact CB-OG 3.27Å; E230-S274 WeakPolarHBondContact CB-OG 3.39Å; E230-S274 VanDerWaalsContact CG-OG 3.31Å; E230-S274 WeakPolarHBondContact CG-OG 3.29Å; R234-S274 WeakPolarHBondContact CG-O 3.47Å; Y270-S274 VanDerWaalsContact O-CB 3.28Å; Y270-S274 WeakPolarHBondContact O-CB 3.24Å; Y270-S274 PolarHBondContact O-N 2.85Å; Y270-S274 PolarHBondContact O-OG 3.16Å; L271-S274 PolarHBondContact O-N 3.1Å; L272-S274 PolarHBondContact O-N 3.42Å |
| 275 | L | 82.9 | Confident | 84.7 | Confident | 27 Ų | 27 | 39.7 Ų | 39.7 | 14% | 0.141 | 20% | 0.201 | C | C | . | . | trans | -80.7 | 124.8 | -178.6 | -73.5 | 175.3 | 0 | 0 | 0 | 111.9 | V233 I241 L271 L272 V280 L284 | V233-L275 HydrophobicContact CG1-CD2 3.82Å; V233-L275 HydrophobicContact CG1-CG 4.03Å; I241-L275 HydrophobicContact CD1-CD2 4.14Å; L271-L275 HydrophobicContact CD2-CD1 3.53Å; L271-L275 HydrophobicContact CD2-CG 4.2Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.44Å; L271-L275 PolarHBondContact O-N 3.4Å; L272-L275 PolarHBondContact O-N 2.89Å; L275-V280 HydrophobicContact CD1-CB 4.07Å; L275-V280 HydrophobicContact CD1-CG1 3.55Å; L275-V280 HydrophobicContact CD2-CB 3.96Å; L275-V280 HydrophobicContact CD2-CG1 3.49Å; L275-V280 VanDerWaalsContact CD2-CG1 3.49Å; L275-V280 HydrophobicContact CD2-CG2 4.33Å; L275-V280 HydrophobicContact CG-CG1 4.16Å; L275-L284 HydrophobicContact CD1-CD1 3.8Å | ||
| 276 | K | 71.4 | Confident | 84.5 | Confident | 178 Ų | 178 | 42 Ų | 42 | 77% | 0.774 | 21% | 0.21 | S | C | * | . | trans | -86.2 | -15.2 | 178.7 | -64.4 | 179.8 | -179.3 | 172.8 | 0 | 114.3 | ||||
| 277 | T | 68.1 | Low | 84.4 | Confident | 73 Ų | 73 | 41.2 Ų | 41.2 | 45% | 0.448 | 20% | 0.204 | S | C | . | . | trans | -126.5 | 125.9 | -166.7 | -46 | 0 | 0 | 0 | 0 | 111.8 | Q279 V280 | T277-Q279 HydrophobicContact CG2-CB 3.96Å; T277-Q279 HydrophobicContact CG2-CG 4.28Å; T277-Q279 PolarHBondContact O-N 2.89Å; T277-Q279 VanDerWaalsContact O-N 3.13Å; T277-V280 PolarHBondContact O-N 3.13Å | ||
| 278 | T | 71 | Confident | 84.4 | Confident | 64 Ų | 64 | 41.2 Ų | 41.2 | 39% | 0.393 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.6 | -21.8 | 178.7 | -32.3 | 0 | 0 | 0 | 0 | 113.4 | V280 A281 H282 L318 A319 A322 | T278-V280 VanDerWaalsContact C-N 3.29Å; T278-V280 PolarHBondContact O-N 3.42Å; T278-A281 PolarHBondContact O-N 3.36Å; T278-H282 PolarHBondContact O-N 2.91Å; T278-L318 HydrophobicContact CG2-CD2 4.37Å; T278-A319 HydrophobicContact CG2-CB 4.2Å; T278-A322 HydrophobicContact CG2-CB 3.29Å |
| 279 | Q | 70.7 | Confident | 84.4 | Confident | 120 Ų | 120 | 41.2 Ų | 41.2 | 56% | 0.561 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -63.7 | -32.7 | 174.4 | -70.3 | -176.4 | -13.3 | 0 | 0 | 113 | Y238 T277 H282 | Y238-Q279 HydrophobicContact CD2-CB 4.14Å; Y238-Q279 WeakPolarHBondContact CE2-O 3.35Å; T277-Q279 HydrophobicContact CG2-CB 3.96Å; T277-Q279 HydrophobicContact CG2-CG 4.28Å; T277-Q279 PolarHBondContact O-N 2.89Å; T277-Q279 VanDerWaalsContact O-N 3.13Å; Q279-H282 VanDerWaalsContact C-CE1 3.48Å; Q279-H282 WeakPolarHBondContact CA-CE1 3.49Å; Q279-H282 VanDerWaalsContact CA-ND1 3.3Å; Q279-H282 WeakPolarHBondContact CA-ND1 3.43Å; Q279-H282 PolarHBondContact O-CE1 3.08Å; Q279-H282 PolarHBondContact O-ND1 3.29Å; Q279-H282 PolarHBondContact O-NE2 3.2Å |
| 280 | V | 75.3 | Confident | 84.5 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.9 | -40.4 | 178.2 | 178.2 | 0 | 0 | 0 | 0 | 110.2 | I241 L275 T277 T278 H282 S283 L284 | I241-V280 HydrophobicContact CB-CG1 3.95Å; I241-V280 HydrophobicContact CD1-CG1 4.35Å; I241-V280 HydrophobicContact CG1-CG1 3.59Å; I241-V280 HydrophobicContact CG2-CG1 3.73Å; L275-V280 HydrophobicContact CD1-CB 4.07Å; L275-V280 HydrophobicContact CD1-CG1 3.55Å; L275-V280 HydrophobicContact CD2-CB 3.96Å; L275-V280 HydrophobicContact CD2-CG1 3.49Å; L275-V280 VanDerWaalsContact CD2-CG1 3.49Å; L275-V280 HydrophobicContact CD2-CG2 4.33Å; L275-V280 HydrophobicContact CG-CG1 4.16Å; T277-V280 PolarHBondContact O-N 3.13Å; T278-V280 VanDerWaalsContact C-N 3.29Å; T278-V280 PolarHBondContact O-N 3.42Å; V280-H282 PolarHBondContact O-N 3.39Å; V280-S283 WeakPolarHBondContact O-CB 3.46Å; V280-S283 PolarHBondContact O-N 3.33Å; V280-S283 VanDerWaalsContact O-N 3.12Å; V280-L284 PolarHBondContact O-N 2.93Å |
| 281 | A | 77.5 | Confident | 84.7 | Confident | 10 Ų | 10 | 39.3 Ų | 39.3 | 8% | 0.083 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.4 | -36.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T278 S283 L284 V285 L318 | T278-A281 PolarHBondContact O-N 3.36Å; A281-S283 VanDerWaalsContact C-N 3.33Å; A281-S283 PolarHBondContact O-N 3.43Å; A281-L284 WeakPolarHBondContact O-CB 3.45Å; A281-L284 PolarHBondContact O-N 3.21Å; A281-V285 PolarHBondContact O-N 3.45Å; A281-L318 HydrophobicContact CB-CD2 3.31Å |
| 282 | H | 79.8 | Confident | 84.9 | Confident | 25 Ų | 25 | 39.3 Ų | 39.3 | 12% | 0.116 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.1 | -34.5 | 174.8 | 72.9 | -103.3 | 0 | 0 | 0 | 112.7 | Y238 T278 Q279 V280 L284 V285 K286 I323 | Y238-H282 AromaticContact CE2-CE1 3.98Å; Y238-H282 AromaticContact CE2-NE2 3.78Å; T278-H282 PolarHBondContact O-N 2.91Å; Q279-H282 VanDerWaalsContact C-CE1 3.48Å; Q279-H282 WeakPolarHBondContact CA-CE1 3.49Å; Q279-H282 VanDerWaalsContact CA-ND1 3.3Å; Q279-H282 WeakPolarHBondContact CA-ND1 3.43Å; Q279-H282 PolarHBondContact O-CE1 3.08Å; Q279-H282 PolarHBondContact O-ND1 3.29Å; Q279-H282 PolarHBondContact O-NE2 3.2Å; V280-H282 PolarHBondContact O-N 3.39Å; H282-L284 VanDerWaalsContact C-N 3.27Å; H282-L284 PolarHBondContact O-N 3.5Å; H282-V285 PolarHBondContact O-N 2.96Å; H282-K286 PolarHBondContact O-N 3.36Å; H282-I323 WeakPolarHBondContact CB-O 3.49Å |
| 283 | S | 82.5 | Confident | 85.2 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.3 | -34.3 | 176.3 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | V280 A281 K286 Q287 | V280-S283 WeakPolarHBondContact O-CB 3.46Å; V280-S283 PolarHBondContact O-N 3.33Å; V280-S283 VanDerWaalsContact O-N 3.12Å; A281-S283 VanDerWaalsContact C-N 3.33Å; A281-S283 PolarHBondContact O-N 3.43Å; S283-K286 PolarHBondContact O-N 3.24Å; S283-Q287 WeakPolarHBondContact O-CG 3.36Å; S283-Q287 PolarHBondContact O-N 3.2Å; S283-Q287 PolarHBondContact O-NE2 3.25Å; S283-Q287 PolarHBondContact OG-NE2 3.23Å; S283-Q287 VanDerWaalsContact OG-NE2 3.11Å |
| 284 | L | 88.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -46 | 173.6 | -60.7 | 176 | 0 | 0 | 0 | 111.9 | V245 L271 L272 L275 V280 A281 H282 K286 Q287 L288 V314 | V245-L284 HydrophobicContact CB-CD2 4.35Å; V245-L284 HydrophobicContact CG1-CD2 4.23Å; V245-L284 HydrophobicContact CG2-CD2 3.23Å; L271-L284 HydrophobicContact CD2-CD1 3.33Å; L271-L284 HydrophobicContact CD2-CD2 4.08Å; L271-L284 HydrophobicContact CD2-CG 4.34Å; L272-L284 HydrophobicContact CD2-CD1 4.03Å; L275-L284 HydrophobicContact CD1-CD1 3.8Å; V280-L284 PolarHBondContact O-N 2.93Å; A281-L284 WeakPolarHBondContact O-CB 3.45Å; A281-L284 PolarHBondContact O-N 3.21Å; H282-L284 VanDerWaalsContact C-N 3.27Å; H282-L284 PolarHBondContact O-N 3.5Å; L284-K286 VanDerWaalsContact C-N 3.33Å; L284-K286 PolarHBondContact O-N 3.48Å; L284-Q287 PolarHBondContact O-N 3.44Å; L284-L288 WeakPolarHBondContact O-CB 2.98Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.2Å; L284-L288 PolarHBondContact O-N 3.2Å; L284-V314 HydrophobicContact CB-CG1 4Å; L284-V314 HydrophobicContact CD1-CG1 4.39Å |
| 285 | V | 90.5 | Very high | 85.7 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.6 | -48 | 179.1 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | A281 H282 Q287 L288 V289 V314 V315 L318 F380 | A281-V285 PolarHBondContact O-N 3.45Å; H282-V285 PolarHBondContact O-N 2.96Å; V285-Q287 VanDerWaalsContact C-N 3.34Å; V285-Q287 PolarHBondContact O-N 3.18Å; V285-L288 PolarHBondContact O-N 3.01Å; V285-V289 HydrophobicContact CG1-CG2 4.37Å; V285-V289 WeakPolarHBondContact O-CB 3.19Å; V285-V289 VanDerWaalsContact O-CG2 3.31Å; V285-V289 WeakPolarHBondContact O-CG2 3.03Å; V285-V289 PolarHBondContact O-N 3.26Å; V285-V314 HydrophobicContact CG2-CB 4.26Å; V285-V314 HydrophobicContact CG2-CG1 3.44Å; V285-V314 VanDerWaalsContact CG2-CG1 3.44Å; V285-V315 HydrophobicContact CG1-CG2 4.2Å; V285-V315 HydrophobicContact CG2-CG2 3.98Å; V285-L318 HydrophobicContact CG2-CD1 4.03Å; V285-F380 HydrophobicContact CG1-CE1 3.62Å; V285-F380 HydrophobicContact CG1-CE2 4.29Å; V285-F380 HydrophobicContact CG1-CZ 3.19Å |
| 286 | K | 90.3 | Very high | 86 | Confident | 81 Ų | 81 | 44.3 Ų | 44.3 | 35% | 0.352 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.7 | -46.4 | 176.4 | -175.5 | -172.4 | -165.7 | 150.7 | 0 | 111.7 | H282 S283 L284 A290 D326 | H282-K286 PolarHBondContact O-N 3.36Å; S283-K286 PolarHBondContact O-N 3.24Å; L284-K286 VanDerWaalsContact C-N 3.33Å; L284-K286 PolarHBondContact O-N 3.48Å; K286-A290 VanDerWaalsContact O-CB 3.27Å; K286-A290 WeakPolarHBondContact O-CB 3.49Å; K286-A290 PolarHBondContact O-N 2.93Å; K286-D326 HydrophobicContact CD-CB 4.48Å; K286-D326 WeakPolarHBondContact CD-OD2 3.39Å; K286-D326 WeakPolarHBondContact CE-OD2 3.23Å; K286-D326 IonicContact NZ-OD1 3.58Å; K286-D326 PolarHBondContact NZ-OD1 2.93Å; K286-D326 IonicContact NZ-OD2 3.68Å; K286-D326 PolarHBondContact NZ-OD2 3.09Å |
| 287 | Q | 91.3 | Very high | 86.7 | Confident | 27 Ų | 27 | 40.3 Ų | 40.3 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | -179.9 | -73.1 | 176.1 | 60 | 0 | 0 | 111.9 | V245 S283 L284 V285 A290 H291 | V245-Q287 HydrophobicContact CG1-CB 4.48Å; S283-Q287 WeakPolarHBondContact O-CG 3.36Å; S283-Q287 PolarHBondContact O-N 3.2Å; S283-Q287 PolarHBondContact O-NE2 3.25Å; S283-Q287 PolarHBondContact OG-NE2 3.23Å; S283-Q287 VanDerWaalsContact OG-NE2 3.11Å; L284-Q287 PolarHBondContact O-N 3.44Å; V285-Q287 VanDerWaalsContact C-N 3.34Å; V285-Q287 PolarHBondContact O-N 3.18Å; Q287-A290 PolarHBondContact O-N 3.17Å; Q287-H291 WeakPolarHBondContact O-CB 2.91Å; Q287-H291 PolarHBondContact O-N 3.06Å |
| 288 | L | 95.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.7 | -41.3 | 178.8 | -70.5 | 166.8 | 0 | 0 | 0 | 112.8 | L249 F268 L284 V285 A290 H291 L292 L307 V310 I311 V314 | L249-L288 HydrophobicContact CD2-CD2 3.86Å; F268-L288 HydrophobicContact CD1-CD1 4.38Å; F268-L288 HydrophobicContact CE1-CD1 4.04Å; F268-L288 HydrophobicContact CE1-CD2 3.87Å; F268-L288 HydrophobicContact CE1-CG 4.3Å; F268-L288 HydrophobicContact CE2-CD2 4.36Å; F268-L288 HydrophobicContact CZ-CD2 3.65Å; L284-L288 WeakPolarHBondContact O-CB 2.98Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.2Å; L284-L288 PolarHBondContact O-N 3.2Å; V285-L288 PolarHBondContact O-N 3.01Å; L288-A290 VanDerWaalsContact C-N 3.34Å; L288-H291 WeakPolarHBondContact O-CB 3.38Å; L288-H291 PolarHBondContact O-N 3.36Å; L288-L292 PolarHBondContact O-N 3.16Å; L288-L307 HydrophobicContact CB-CD1 4.43Å; L288-L307 HydrophobicContact CD2-CD1 3.77Å; L288-V310 HydrophobicContact CD1-CG1 4Å; L288-V310 HydrophobicContact CD2-CG1 4.11Å; L288-I311 HydrophobicContact CB-CD1 4.24Å; L288-I311 HydrophobicContact CB-CG1 3.57Å; L288-I311 HydrophobicContact CD1-CG1 4.34Å; L288-V314 HydrophobicContact CD1-CB 4.4Å; L288-V314 HydrophobicContact CD1-CG2 3.72Å |
| 289 | V | 95 | Very high | 88.9 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | 175 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | V285 H291 L292 S293 I311 N330 L334 | V285-V289 HydrophobicContact CG1-CG2 4.37Å; V285-V289 WeakPolarHBondContact O-CB 3.19Å; V285-V289 VanDerWaalsContact O-CG2 3.31Å; V285-V289 WeakPolarHBondContact O-CG2 3.03Å; V285-V289 PolarHBondContact O-N 3.26Å; V289-H291 VanDerWaalsContact C-N 3.35Å; V289-L292 PolarHBondContact O-N 3.25Å; V289-S293 WeakPolarHBondContact O-CB 3.31Å; V289-S293 PolarHBondContact O-N 3.22Å; V289-S293 PolarHBondContact O-OG 3.23Å; V289-I311 HydrophobicContact CG2-CD1 4.05Å; V289-I311 HydrophobicContact CG2-CG2 4.21Å; V289-N330 HydrophobicContact CG2-CB 4.37Å; V289-L334 HydrophobicContact CG2-CD2 4.44Å |
| 290 | A | 94.6 | Very high | 90 | Very high | 54 Ų | 54 | 38.4 Ų | 38.4 | 45% | 0.446 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K286 Q287 L288 S293 L294 | K286-A290 VanDerWaalsContact O-CB 3.27Å; K286-A290 WeakPolarHBondContact O-CB 3.49Å; K286-A290 PolarHBondContact O-N 2.93Å; Q287-A290 PolarHBondContact O-N 3.17Å; L288-A290 VanDerWaalsContact C-N 3.34Å; A290-S293 PolarHBondContact O-N 3.28Å; A290-L294 WeakPolarHBondContact O-CB 3.44Å; A290-L294 PolarHBondContact O-N 2.7Å |
| 291 | H | 96 | Very high | 90.7 | Very high | 21 Ų | 21 | 40.2 Ų | 40.2 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -45 | 175.5 | -160.2 | 65.6 | 0 | 0 | 0 | 112 | L249 D253 Q287 L288 V289 S293 L294 H295 F299 L307 | L249-H291 HydrophobicContact CD1-CB 4.17Å; D253-H291 IonicContact OD1-CE1 3.76Å; D253-H291 IonicContact OD1-NE2 3.98Å; D253-H291 PolarHBondContact OD1-NE2 2.75Å; D253-H291 IonicContact OD2-CE1 3.35Å; D253-H291 PolarHBondContact OD2-CE1 3.1Å; D253-H291 IonicContact OD2-NE2 3.91Å; D253-H291 PolarHBondContact OD2-NE2 3.18Å; Q287-H291 WeakPolarHBondContact O-CB 2.91Å; Q287-H291 PolarHBondContact O-N 3.06Å; L288-H291 WeakPolarHBondContact O-CB 3.38Å; L288-H291 PolarHBondContact O-N 3.36Å; V289-H291 VanDerWaalsContact C-N 3.35Å; H291-S293 VanDerWaalsContact C-N 3.29Å; H291-S293 PolarHBondContact O-N 3.15Å; H291-L294 PolarHBondContact O-N 3.39Å; H291-H295 AromaticContact CD2-CD2 3.99Å; H291-H295 AromaticContact CE1-CD2 3.36Å; H291-H295 PolarHBondContact CE1-CD2 2.93Å; H291-H295 AromaticContact CE1-NE2 3.4Å; H291-H295 PolarHBondContact CE1-NE2 3.08Å; H291-H295 AromaticContact ND1-CD2 3.78Å; H291-H295 AromaticContact NE2-CD2 3.51Å; H291-H295 AromaticContact NE2-NE2 3.88Å; H291-H295 PolarHBondContact O-CD2 3.01Å; H291-H295 PolarHBondContact O-N 2.74Å; H291-F299 AromaticContact NE2-CZ 3.89Å; H291-L307 HydrophobicContact CB-CD2 4.49Å |
| 292 | L | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.4 | -38.8 | 176.2 | -179.2 | 62.5 | 0 | 0 | 0 | 111.7 | L288 V289 E296 R304 L307 V308 I311 L334 I337 | L288-L292 PolarHBondContact O-N 3.16Å; V289-L292 PolarHBondContact O-N 3.25Å; L292-E296 PolarHBondContact O-N 3.37Å; L292-R304 HydrophobicContact CD1-CB 4.25Å; L292-R304 HydrophobicContact CD1-CG 4.36Å; L292-L307 VanDerWaalsContact CA-CD2 3.44Å; L292-L307 HydrophobicContact CB-CD2 3.55Å; L292-L307 HydrophobicContact CB-CG 4Å; L292-L307 HydrophobicContact CD1-CB 4.34Å; L292-L307 HydrophobicContact CD1-CD2 3.79Å; L292-L307 HydrophobicContact CD1-CG 4.11Å; L292-L307 HydrophobicContact CG-CD2 4.24Å; L292-V308 HydrophobicContact CD1-CG2 4.44Å; L292-V308 HydrophobicContact CD2-CG2 3.54Å; L292-I311 HydrophobicContact CB-CD1 4.34Å; L292-I311 HydrophobicContact CD2-CD1 3.94Å; L292-L334 HydrophobicContact CD2-CD2 4.24Å; L292-I337 HydrophobicContact CB-CD1 4.38Å; L292-I337 HydrophobicContact CD2-CD1 3.76Å; L292-I337 HydrophobicContact CG-CD1 3.76Å |
| 293 | S | 95.1 | Very high | 92.2 | Very high | 48 Ų | 48 | 42 Ų | 42 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.6 | -38.3 | 177.6 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | V289 A290 H291 | V289-S293 WeakPolarHBondContact O-CB 3.31Å; V289-S293 PolarHBondContact O-N 3.22Å; V289-S293 PolarHBondContact O-OG 3.23Å; A290-S293 PolarHBondContact O-N 3.28Å; H291-S293 VanDerWaalsContact C-N 3.29Å; H291-S293 PolarHBondContact O-N 3.15Å |
| 294 | L | 94.5 | Very high | 92.8 | Very high | 120 Ų | 120 | 41.7 Ų | 41.7 | 63% | 0.628 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -66 | -39.8 | 177.6 | -177.7 | 65.6 | 0 | 0 | 0 | 112 | A290 H291 | A290-L294 WeakPolarHBondContact O-CB 3.44Å; A290-L294 PolarHBondContact O-N 2.7Å; H291-L294 PolarHBondContact O-N 3.39Å |
| 295 | H | 93.1 | Very high | 93.1 | Very high | 33 Ų | 33 | 42.9 Ų | 42.9 | 15% | 0.153 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 21.4 | -176 | -69.3 | -68.8 | 0 | 0 | 0 | 114.2 | D253 H291 S297 D298 F299 | D253-H295 IonicContact OD2-NE2 3.82Å; H291-H295 AromaticContact CD2-CD2 3.99Å; H291-H295 AromaticContact CE1-CD2 3.36Å; H291-H295 PolarHBondContact CE1-CD2 2.93Å; H291-H295 AromaticContact CE1-NE2 3.4Å; H291-H295 PolarHBondContact CE1-NE2 3.08Å; H291-H295 AromaticContact ND1-CD2 3.78Å; H291-H295 AromaticContact NE2-CD2 3.51Å; H291-H295 AromaticContact NE2-NE2 3.88Å; H291-H295 PolarHBondContact O-CD2 3.01Å; H291-H295 PolarHBondContact O-N 2.74Å; H295-S297 PolarHBondContact O-N 3.3Å; H295-D298 PolarHBondContact O-N 3.06Å; H295-F299 HydrophobicContact CB-CB 4.49Å; H295-F299 HydrophobicContact CB-CD1 3.64Å; H295-F299 HydrophobicContact CB-CD2 3.77Å; H295-F299 HydrophobicContact CB-CE1 3.59Å; H295-F299 HydrophobicContact CB-CE2 3.73Å; H295-F299 HydrophobicContact CB-CG 3.7Å; H295-F299 HydrophobicContact CB-CZ 3.61Å; H295-F299 AromaticContact CD2-CE1 3.99Å; H295-F299 AromaticContact CD2-CZ 3.66Å; H295-F299 AromaticContact CG-CD1 3.96Å; H295-F299 AromaticContact CG-CE1 3.44Å; H295-F299 VanDerWaalsContact CG-CE1 3.44Å; H295-F299 AromaticContact CG-CZ 3.5Å; H295-F299 VanDerWaalsContact CG-CZ 3.5Å; H295-F299 AromaticContact ND1-CE1 3.59Å; H295-F299 WeakPolarHBondContact O-CB 3.36Å; H295-F299 PolarHBondContact O-N 2.73Å; H295-F299 VanDerWaalsContact O-N 3.15Å |
| 296 | E | 89.1 | Confident | 93.3 | Very high | 53 Ų | 53 | 42.9 Ų | 42.9 | 25% | 0.248 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.2 | -176.9 | -162.7 | -126 | 126.9 | 0 | 0 | 113.5 | L292 I337 A340 K344 | L292-E296 PolarHBondContact O-N 3.37Å; E296-I337 HydrophobicContact CG-CG1 4.35Å; E296-I337 HydrophobicContact CG-CG2 4.34Å; E296-A340 WeakPolarHBondContact OE1-CB 3.47Å; E296-K344 PolarHBondContact O-NZ 3.43Å; E296-K344 IonicContact OE1-NZ 3.66Å; E296-K344 PolarHBondContact OE1-NZ 3.42Å |
| 297 | S | 86.9 | Confident | 93.6 | Very high | 94 Ų | 94 | 39 Ų | 39 | 66% | 0.657 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -32.7 | 176.5 | 51.5 | 0 | 0 | 0 | 0 | 114.1 | H295 | H295-S297 PolarHBondContact O-N 3.3Š|
| 298 | D | 91.2 | Very high | 93.8 | Very high | 116 Ų | 116 | 37.8 Ų | 37.8 | 62% | 0.62 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -29.6 | -163.4 | -58.9 | -7.7 | 0 | 0 | 0 | 112.1 | H295 | H295-D298 PolarHBondContact O-N 3.06Š|
| 299 | F | 93.5 | Very high | 93.9 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 10% | 0.101 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -80 | 142.8 | 178.2 | -77.4 | 6.2 | 0 | 0 | 0 | 112.1 | D253 W258 H291 H295 E303 R304 L307 | D253-F299 VanDerWaalsContact OD1-CZ 3.25Å; D253-F299 WeakPolarHBondContact OD1-CZ 3.41Å; W258-F299 AromaticContact NE1-CE2 3.91Å; W258-F299 AromaticContact NE1-CZ 3.8Å; H291-F299 AromaticContact NE2-CZ 3.89Å; H295-F299 HydrophobicContact CB-CB 4.49Å; H295-F299 HydrophobicContact CB-CD1 3.64Å; H295-F299 HydrophobicContact CB-CD2 3.77Å; H295-F299 HydrophobicContact CB-CE1 3.59Å; H295-F299 HydrophobicContact CB-CE2 3.73Å; H295-F299 HydrophobicContact CB-CG 3.7Å; H295-F299 HydrophobicContact CB-CZ 3.61Å; H295-F299 AromaticContact CD2-CE1 3.99Å; H295-F299 AromaticContact CD2-CZ 3.66Å; H295-F299 AromaticContact CG-CD1 3.96Å; H295-F299 AromaticContact CG-CE1 3.44Å; H295-F299 VanDerWaalsContact CG-CE1 3.44Å; H295-F299 AromaticContact CG-CZ 3.5Å; H295-F299 VanDerWaalsContact CG-CZ 3.5Å; H295-F299 AromaticContact ND1-CE1 3.59Å; H295-F299 WeakPolarHBondContact O-CB 3.36Å; H295-F299 PolarHBondContact O-N 2.73Å; H295-F299 VanDerWaalsContact O-N 3.15Å; F299-E303 HydrophobicContact CB-CB 4Å; F299-E303 HydrophobicContact CD2-CB 4.09Å; F299-E303 HydrophobicContact CG-CB 4.09Å; F299-R304 HydrophobicContact CB-CG 3.65Å; F299-L307 HydrophobicContact CE2-CD2 4.12Å |
| 300 | T | 92.6 | Very high | 93.9 | Very high | 78 Ų | 78 | 41.3 Ų | 41.3 | 48% | 0.479 | 24% | 0.238 | S | C | . | . | trans | -62.9 | 159.8 | 166.7 | 67.3 | 0 | 0 | 0 | 0 | 110.4 | S302 E303 R304 | T300-S302 PolarHBondContact O-N 3.32Å; T300-E303 WeakPolarHBondContact CB-OE2 3.21Å; T300-E303 WeakPolarHBondContact CG2-OE2 3.4Å; T300-E303 PolarHBondContact N-OE2 3.08Å; T300-E303 PolarHBondContact O-N 2.99Å; T300-E303 VanDerWaalsContact OG1-CD 3.29Å; T300-E303 WeakPolarHBondContact OG1-CG 3.35Å; T300-E303 PolarHBondContact OG1-N 2.97Å; T300-E303 PolarHBondContact OG1-OE2 2.9Å; T300-R304 WeakPolarHBondContact O-CG 3.44Å; T300-R304 PolarHBondContact O-N 2.76Å | ||
| 301 | L | 91.7 | Very high | 93.9 | Very high | 41 Ų | 41 | 38.7 Ų | 38.7 | 22% | 0.215 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.5 | -35.7 | 176.5 | 177.3 | 61.6 | 0 | 0 | 0 | 113.3 | T305 G365 E366 F369 | L301-T305 WeakPolarHBondContact O-CB 3.35Å; L301-T305 PolarHBondContact O-N 3.37Å; L301-T305 PolarHBondContact O-OG1 2.84Å; L301-G365 VanDerWaalsContact CD2-C 3.48Å; L301-E366 HydrophobicContact CD1-CG 4.38Å; L301-E366 HydrophobicContact CD2-CG 4.26Å; L301-F369 HydrophobicContact CD1-CB 3.52Å; L301-F369 HydrophobicContact CD1-CD1 4.22Å; L301-F369 HydrophobicContact CD1-CG 3.87Å |
| 302 | S | 92.2 | Very high | 93.8 | Very high | 50 Ų | 50 | 38.1 Ų | 38.1 | 35% | 0.35 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.9 | -46.9 | 176.5 | -164.1 | 0 | 0 | 0 | 0 | 111.1 | D259 T300 T305 S306 | D259-S302 PolarHBondContact OD1-OG 3.45Å; D259-S302 VanDerWaalsContact OD2-CB 3.32Å; D259-S302 WeakPolarHBondContact OD2-CB 3.32Å; D259-S302 PolarHBondContact OD2-OG 2.71Å; T300-S302 PolarHBondContact O-N 3.32Å; S302-T305 PolarHBondContact O-N 2.92Å; S302-S306 WeakPolarHBondContact O-CB 3.45Å; S302-S306 PolarHBondContact O-N 3.29Å |
| 303 | E | 94.9 | Very high | 93.6 | Very high | 22 Ų | 22 | 39.8 Ų | 39.8 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 179.4 | -61.7 | 167.5 | 130 | 0 | 0 | 111.6 | W258 F299 T300 T305 S306 L307 | W258-E303 HydrophobicContact CB-CB 3.81Å; W258-E303 HydrophobicContact CB-CG 3.78Å; W258-E303 HydrophobicContact CG-CB 4.42Å; F299-E303 HydrophobicContact CB-CB 4Å; F299-E303 HydrophobicContact CD2-CB 4.09Å; F299-E303 HydrophobicContact CG-CB 4.09Å; T300-E303 WeakPolarHBondContact CB-OE2 3.21Å; T300-E303 WeakPolarHBondContact CG2-OE2 3.4Å; T300-E303 PolarHBondContact N-OE2 3.08Å; T300-E303 PolarHBondContact O-N 2.99Å; T300-E303 VanDerWaalsContact OG1-CD 3.29Å; T300-E303 WeakPolarHBondContact OG1-CG 3.35Å; T300-E303 PolarHBondContact OG1-N 2.97Å; T300-E303 PolarHBondContact OG1-OE2 2.9Å; E303-T305 VanDerWaalsContact C-N 3.34Å; E303-T305 PolarHBondContact O-N 3.01Å; E303-S306 WeakPolarHBondContact O-CB 3.42Å; E303-S306 PolarHBondContact O-N 3.33Å; E303-L307 PolarHBondContact O-N 3.34Å |
| 304 | R | 95.3 | Very high | 93.5 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 173.1 | -68.9 | -174.7 | -70.6 | 154.5 | 5 | 111.8 | L292 F299 T300 L307 V308 E366 F369 | L292-R304 HydrophobicContact CD1-CB 4.25Å; L292-R304 HydrophobicContact CD1-CG 4.36Å; F299-R304 HydrophobicContact CB-CG 3.65Å; T300-R304 WeakPolarHBondContact O-CG 3.44Å; T300-R304 PolarHBondContact O-N 2.76Å; R304-L307 PolarHBondContact O-N 3.14Å; R304-V308 WeakPolarHBondContact O-CG2 2.94Å; R304-V308 PolarHBondContact O-N 3.14Å; R304-E366 IonicContact CZ-OE1 3.28Å; R304-E366 IonicContact NH2-OE1 3.46Å; R304-E366 PolarHBondContact NH2-OE1 2.95Å; R304-F369 HydrophobicContact CB-CD2 4.16Å; R304-F369 HydrophobicContact CB-CE2 3.56Å; R304-F369 HydrophobicContact CB-CZ 3.92Å |
| 305 | T | 94.9 | Very high | 93.3 | Very high | 24 Ų | 24 | 31.8 Ų | 31.8 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 178.3 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | L301 S302 E303 L307 V308 Q309 A372 | L301-T305 WeakPolarHBondContact O-CB 3.35Å; L301-T305 PolarHBondContact O-N 3.37Å; L301-T305 PolarHBondContact O-OG1 2.84Å; S302-T305 PolarHBondContact O-N 2.92Å; E303-T305 VanDerWaalsContact C-N 3.34Å; E303-T305 PolarHBondContact O-N 3.01Å; T305-L307 PolarHBondContact O-N 3.46Å; T305-V308 PolarHBondContact O-N 3.27Å; T305-Q309 WeakPolarHBondContact O-CG 3.47Å; T305-Q309 PolarHBondContact O-N 3.32Å; T305-A372 HydrophobicContact CG2-CB 4.44Å |
| 306 | S | 95.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 174.6 | -178 | 0 | 0 | 0 | 0 | 112 | W258 C261 S302 E303 V308 Q309 V310 | W258-S306 WeakPolarHBondContact O-CB 3.41Å; W258-S306 PolarHBondContact O-OG 3.49Å; C261-S306 WeakPolarHBondContact CA-OG 3.09Å; C261-S306 VanDerWaalsContact CB-OG 3.24Å; C261-S306 WeakPolarHBondContact CB-OG 3.47Å; S302-S306 WeakPolarHBondContact O-CB 3.45Å; S302-S306 PolarHBondContact O-N 3.29Å; E303-S306 WeakPolarHBondContact O-CB 3.42Å; E303-S306 PolarHBondContact O-N 3.33Å; S306-V308 PolarHBondContact O-N 3.39Å; S306-Q309 WeakPolarHBondContact O-CB 3.3Å; S306-Q309 PolarHBondContact O-N 2.93Å; S306-Q309 VanDerWaalsContact O-N 3.16Å; S306-V310 WeakPolarHBondContact O-CG2 3.48Å; S306-V310 PolarHBondContact O-N 2.82Å |
| 307 | L | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -40.1 | 176.2 | 178.1 | 52.5 | 0 | 0 | 0 | 112.5 | W258 L288 H291 L292 F299 E303 R304 T305 Q309 V310 I311 | W258-L307 HydrophobicContact CE3-CB 4.18Å; W258-L307 HydrophobicContact CH2-CB 4.48Å; W258-L307 HydrophobicContact CH2-CD1 3.61Å; W258-L307 HydrophobicContact CH2-CG 4.48Å; W258-L307 HydrophobicContact CZ2-CD1 4.43Å; W258-L307 HydrophobicContact CZ3-CB 3.99Å; W258-L307 HydrophobicContact CZ3-CD1 3.76Å; W258-L307 HydrophobicContact CZ3-CG 4.41Å; L288-L307 HydrophobicContact CB-CD1 4.43Å; L288-L307 HydrophobicContact CD2-CD1 3.77Å; H291-L307 HydrophobicContact CB-CD2 4.49Å; L292-L307 VanDerWaalsContact CA-CD2 3.44Å; L292-L307 HydrophobicContact CB-CD2 3.55Å; L292-L307 HydrophobicContact CB-CG 4Å; L292-L307 HydrophobicContact CD1-CB 4.34Å; L292-L307 HydrophobicContact CD1-CD2 3.79Å; L292-L307 HydrophobicContact CD1-CG 4.11Å; L292-L307 HydrophobicContact CG-CD2 4.24Å; F299-L307 HydrophobicContact CE2-CD2 4.12Å; E303-L307 PolarHBondContact O-N 3.34Å; R304-L307 PolarHBondContact O-N 3.14Å; T305-L307 PolarHBondContact O-N 3.46Å; L307-Q309 VanDerWaalsContact C-N 3.32Å; L307-Q309 PolarHBondContact O-N 3.2Å; L307-V310 PolarHBondContact O-N 3.31Å; L307-I311 HydrophobicContact CG-CD1 4.41Å; L307-I311 WeakPolarHBondContact O-CG1 3.46Å; L307-I311 PolarHBondContact O-N 3.35Å |
| 308 | V | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -39.4 | 173 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | L292 R304 T305 S306 I311 G312 F369 A372 I373 T376 | L292-V308 HydrophobicContact CD1-CG2 4.44Å; L292-V308 HydrophobicContact CD2-CG2 3.54Å; R304-V308 WeakPolarHBondContact O-CG2 2.94Å; R304-V308 PolarHBondContact O-N 3.14Å; T305-V308 PolarHBondContact O-N 3.27Å; S306-V308 PolarHBondContact O-N 3.39Å; V308-I311 WeakPolarHBondContact O-CB 3.26Å; V308-I311 PolarHBondContact O-N 2.96Å; V308-G312 PolarHBondContact O-N 3.39Å; V308-F369 HydrophobicContact CG2-CD2 4.34Å; V308-F369 HydrophobicContact CG2-CE2 3.63Å; V308-F369 HydrophobicContact CG2-CZ 4.44Å; V308-A372 HydrophobicContact CB-CB 4.49Å; V308-A372 VanDerWaalsContact CG1-C 3.47Å; V308-A372 HydrophobicContact CG1-CB 3.79Å; V308-A372 WeakPolarHBondContact CG1-O 3.48Å; V308-I373 HydrophobicContact CG1-CG1 4.13Å; V308-I373 HydrophobicContact CG2-CG1 3.89Å; V308-T376 WeakPolarHBondContact CG1-OG1 3.44Å |
| 309 | Q | 95.4 | Very high | 92 | Very high | 75 Ų | 75 | 26.8 Ų | 26.8 | 35% | 0.35 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.5 | -39.5 | 175.3 | -70.4 | 171.3 | -14.2 | 0 | 0 | 112.3 | C261 L265 T305 S306 L307 G312 L313 | C261-Q309 PolarHBondContact SG-OE1 3.21Å; L265-Q309 HydrophobicContact CD2-CB 4.32Å; T305-Q309 WeakPolarHBondContact O-CG 3.47Å; T305-Q309 PolarHBondContact O-N 3.32Å; S306-Q309 WeakPolarHBondContact O-CB 3.3Å; S306-Q309 PolarHBondContact O-N 2.93Å; S306-Q309 VanDerWaalsContact O-N 3.16Å; L307-Q309 VanDerWaalsContact C-N 3.32Å; L307-Q309 PolarHBondContact O-N 3.2Å; Q309-G312 PolarHBondContact O-N 2.97Å; Q309-L313 PolarHBondContact O-N 3.46Å |
| 310 | V | 95.9 | Very high | 91 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 173 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | W258 P264 L265 F268 L288 S306 L307 G312 L313 V314 | W258-V310 HydrophobicContact CZ3-CG2 4.19Å; P264-V310 HydrophobicContact CB-CG2 3.79Å; L265-V310 HydrophobicContact CD2-CG2 3.95Å; L265-V310 HydrophobicContact CG-CG2 4.3Å; F268-V310 HydrophobicContact CB-CG1 3.96Å; F268-V310 HydrophobicContact CD1-CG1 3.92Å; F268-V310 HydrophobicContact CD2-CG1 3.43Å; F268-V310 VanDerWaalsContact CD2-CG1 3.43Å; F268-V310 HydrophobicContact CD2-CG2 4.44Å; F268-V310 HydrophobicContact CE1-CG1 4.31Å; F268-V310 HydrophobicContact CE2-CG1 3.86Å; F268-V310 HydrophobicContact CG-CG1 3.47Å; F268-V310 VanDerWaalsContact CG-CG1 3.47Å; F268-V310 HydrophobicContact CZ-CG1 4.29Å; L288-V310 HydrophobicContact CD1-CG1 4Å; L288-V310 HydrophobicContact CD2-CG1 4.11Å; S306-V310 WeakPolarHBondContact O-CG2 3.48Å; S306-V310 PolarHBondContact O-N 2.82Å; L307-V310 PolarHBondContact O-N 3.31Å; V310-G312 VanDerWaalsContact C-N 3.33Å; V310-G312 PolarHBondContact O-N 3.1Å; V310-L313 WeakPolarHBondContact O-CB 3.33Å; V310-L313 PolarHBondContact O-N 2.85Å; V310-V314 WeakPolarHBondContact O-CG2 3.44Å; V310-V314 PolarHBondContact O-N 3.38Å; V310-V314 VanDerWaalsContact O-N 3.08Å |
| 311 | I | 95 | Very high | 90 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 173.1 | -65.9 | 163 | 0 | 0 | 0 | 109.9 | L288 V289 L292 L307 V308 L313 V314 V315 T376 F380 | L288-I311 HydrophobicContact CB-CD1 4.24Å; L288-I311 HydrophobicContact CB-CG1 3.57Å; L288-I311 HydrophobicContact CD1-CG1 4.34Å; V289-I311 HydrophobicContact CG2-CD1 4.05Å; V289-I311 HydrophobicContact CG2-CG2 4.21Å; L292-I311 HydrophobicContact CB-CD1 4.34Å; L292-I311 HydrophobicContact CD2-CD1 3.94Å; L307-I311 HydrophobicContact CG-CD1 4.41Å; L307-I311 WeakPolarHBondContact O-CG1 3.46Å; L307-I311 PolarHBondContact O-N 3.35Å; V308-I311 WeakPolarHBondContact O-CB 3.26Å; V308-I311 PolarHBondContact O-N 2.96Å; I311-L313 VanDerWaalsContact C-N 3.33Å; I311-L313 PolarHBondContact O-N 3.37Å; I311-V314 PolarHBondContact O-N 2.9Å; I311-V315 HydrophobicContact CG2-CG2 4.2Å; I311-V315 VanDerWaalsContact O-CG2 3.24Å; I311-V315 WeakPolarHBondContact O-CG2 3.48Å; I311-V315 PolarHBondContact O-N 2.88Å; I311-T376 HydrophobicContact CB-CG2 4.34Å; I311-T376 HydrophobicContact CG2-CG2 3.68Å; I311-F380 HydrophobicContact CG2-CE2 4.27Å |
| 312 | G | 93.4 | Very high | 89.1 | Confident | 8 Ų | 8 | 30.6 Ų | 30.6 | 8% | 0.082 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.7 | -44.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V308 Q309 V310 V314 V315 I316 | V308-G312 PolarHBondContact O-N 3.39Å; Q309-G312 PolarHBondContact O-N 2.97Å; V310-G312 VanDerWaalsContact C-N 3.33Å; V310-G312 PolarHBondContact O-N 3.1Å; G312-V314 PolarHBondContact O-N 2.68Å; G312-V315 PolarHBondContact O-N 3.01Å; G312-I316 WeakPolarHBondContact O-CD1 3.47Å; G312-I316 VanDerWaalsContact O-CG1 3.24Å; G312-I316 WeakPolarHBondContact O-CG1 3.35Å; G312-I316 PolarHBondContact O-N 2.93Å |
| 313 | L | 93.3 | Very high | 88.2 | Confident | 35 Ų | 35 | 28.5 Ų | 28.5 | 18% | 0.183 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.3 | -48.1 | 176.2 | 178.9 | 66 | 0 | 0 | 0 | 112.1 | L265 F268 Q269 L272 Q309 V310 I311 V315 I316 S317 | L265-L313 HydrophobicContact CD2-CB 4.1Å; L265-L313 HydrophobicContact CD2-CD2 3.94Å; L265-L313 WeakPolarHBondContact O-CD2 3.43Å; F268-L313 HydrophobicContact CB-CD2 4.38Å; Q269-L313 HydrophobicContact CB-CD2 4.36Å; L272-L313 HydrophobicContact CD1-CD2 4.44Å; L272-L313 HydrophobicContact CD1-CG 4.1Å; Q309-L313 PolarHBondContact O-N 3.46Å; V310-L313 WeakPolarHBondContact O-CB 3.33Å; V310-L313 PolarHBondContact O-N 2.85Å; I311-L313 VanDerWaalsContact C-N 3.33Å; I311-L313 PolarHBondContact O-N 3.37Å; L313-V315 VanDerWaalsContact C-N 3.35Å; L313-V315 PolarHBondContact O-N 3.1Å; L313-I316 PolarHBondContact O-N 3Å; L313-S317 PolarHBondContact O-N 3.26Å; L313-S317 PolarHBondContact O-OG 3.38Å |
| 314 | V | 91.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 178.9 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | F268 L272 L284 V285 L288 V310 I311 G312 S317 L318 | F268-V314 HydrophobicContact CD1-CG2 4.26Å; L272-V314 HydrophobicContact CD1-CG2 4.07Å; L272-V314 HydrophobicContact CD2-CG1 4.21Å; L272-V314 HydrophobicContact CD2-CG2 4.35Å; L284-V314 HydrophobicContact CB-CG1 4Å; L284-V314 HydrophobicContact CD1-CG1 4.39Å; V285-V314 HydrophobicContact CG2-CB 4.26Å; V285-V314 HydrophobicContact CG2-CG1 3.44Å; V285-V314 VanDerWaalsContact CG2-CG1 3.44Å; L288-V314 HydrophobicContact CD1-CB 4.4Å; L288-V314 HydrophobicContact CD1-CG2 3.72Å; V310-V314 WeakPolarHBondContact O-CG2 3.44Å; V310-V314 PolarHBondContact O-N 3.38Å; V310-V314 VanDerWaalsContact O-N 3.08Å; I311-V314 PolarHBondContact O-N 2.9Å; G312-V314 PolarHBondContact O-N 2.68Å; V314-S317 PolarHBondContact O-N 3.48Å; V314-L318 PolarHBondContact O-N 3.14Å |
| 315 | V | 90.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.1 | -43.3 | -179.6 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | V285 I311 G312 L313 S317 L318 E379 F380 N383 | V285-V315 HydrophobicContact CG1-CG2 4.2Å; V285-V315 HydrophobicContact CG2-CG2 3.98Å; I311-V315 HydrophobicContact CG2-CG2 4.2Å; I311-V315 VanDerWaalsContact O-CG2 3.24Å; I311-V315 WeakPolarHBondContact O-CG2 3.48Å; I311-V315 PolarHBondContact O-N 2.88Å; G312-V315 PolarHBondContact O-N 3.01Å; L313-V315 VanDerWaalsContact C-N 3.35Å; L313-V315 PolarHBondContact O-N 3.1Å; V315-S317 PolarHBondContact O-N 2.98Å; V315-L318 WeakPolarHBondContact O-CB 3.28Å; V315-L318 PolarHBondContact O-N 3.03Å; V315-L318 VanDerWaalsContact O-N 3.16Å; V315-E379 HydrophobicContact CG1-CB 4.14Å; V315-F380 HydrophobicContact CB-CD2 4.48Å; V315-F380 HydrophobicContact CG1-CB 4.2Å; V315-F380 HydrophobicContact CG1-CD1 4.05Å; V315-F380 HydrophobicContact CG1-CD2 3.96Å; V315-F380 HydrophobicContact CG1-CE2 4.48Å; V315-F380 HydrophobicContact CG1-CG 3.75Å; V315-F380 HydrophobicContact CG2-CD1 4.1Å; V315-F380 HydrophobicContact CG2-CD2 3.77Å; V315-F380 HydrophobicContact CG2-CE1 3.82Å; V315-F380 HydrophobicContact CG2-CE2 3.44Å; V315-F380 VanDerWaalsContact CG2-CE2 3.44Å; V315-F380 HydrophobicContact CG2-CG 4.1Å; V315-F380 HydrophobicContact CG2-CZ 3.51Å; V315-N383 PolarHBondContact O-ND2 3.4Å |
| 316 | I | 90.2 | Very high | 86.5 | Confident | 70 Ų | 70 | 32.9 Ų | 32.9 | 36% | 0.359 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.4 | -37 | 177.3 | -71.1 | 164.6 | 0 | 0 | 0 | 111.2 | G312 L313 L318 E379 | G312-I316 WeakPolarHBondContact O-CD1 3.47Å; G312-I316 VanDerWaalsContact O-CG1 3.24Å; G312-I316 WeakPolarHBondContact O-CG1 3.35Å; G312-I316 PolarHBondContact O-N 2.93Å; L313-I316 PolarHBondContact O-N 3Å; I316-L318 VanDerWaalsContact C-N 3.26Å; I316-L318 PolarHBondContact O-N 2.75Å; I316-E379 HydrophobicContact CD1-CG 4.17Å; I316-E379 HydrophobicContact CG1-CB 4.12Å; I316-E379 HydrophobicContact CG1-CG 3.85Å |
| 317 | S | 85.6 | Confident | 86.1 | Confident | 62 Ų | 62 | 33.1 Ų | 33.1 | 43% | 0.434 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -8.7 | -179.9 | -64.8 | 0 | 0 | 0 | 0 | 114.2 | L313 V314 V315 | L313-S317 PolarHBondContact O-N 3.26Å; L313-S317 PolarHBondContact O-OG 3.38Å; V314-S317 PolarHBondContact O-N 3.48Å; V315-S317 PolarHBondContact O-N 2.98Å |
| 318 | L | 83.4 | Confident | 85.7 | Confident | 7 Ų | 7 | 35.7 Ų | 35.7 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -72.1 | 140.2 | 174.4 | -66.2 | 174 | 0 | 0 | 0 | 111.5 | T278 A281 V285 V314 V315 I316 I323 N383 | T278-L318 HydrophobicContact CG2-CD2 4.37Å; A281-L318 HydrophobicContact CB-CD2 3.31Å; V285-L318 HydrophobicContact CG2-CD1 4.03Å; V314-L318 PolarHBondContact O-N 3.14Å; V315-L318 WeakPolarHBondContact O-CB 3.28Å; V315-L318 PolarHBondContact O-N 3.03Å; V315-L318 VanDerWaalsContact O-N 3.16Å; I316-L318 VanDerWaalsContact C-N 3.26Å; I316-L318 PolarHBondContact O-N 2.75Å; L318-I323 HydrophobicContact CD1-CG1 4.22Å; L318-N383 PolarHBondContact O-ND2 3.23Å |
| 319 | A | 72.9 | Confident | 85.4 | Confident | 53 Ų | 53 | 40.7 Ų | 40.7 | 44% | 0.438 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 149 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T278 G321 A322 | T278-A319 HydrophobicContact CG2-CB 4.2Å; A319-G321 PolarHBondContact O-N 3.25Å; A319-A322 HydrophobicContact CB-CB 4.19Å; A319-A322 VanDerWaalsContact O-CB 3.3Å; A319-A322 WeakPolarHBondContact O-CB 3.44Å; A319-A322 PolarHBondContact O-N 3Å |
| 320 | K | 73.7 | Confident | 85.2 | Confident | 176 Ų | 176 | 37.2 Ų | 37.2 | 77% | 0.765 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 127.7 | 175.5 | -69 | -172.4 | 176.9 | -173.6 | 0 | 111.1 | A322 | K320-A322 VanDerWaalsContact C-N 3.32Š|
| 321 | G | 71.2 | Confident | 85 | Confident | 28 Ų | 28 | 37.2 Ų | 37.2 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -7.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A319 I323 N383 | A319-G321 PolarHBondContact O-N 3.25Å; G321-I323 PolarHBondContact O-N 3.22Å; G321-N383 WeakPolarHBondContact CA-O 3.49Å; G321-N383 PolarHBondContact N-O 2.95Å |
| 322 | A | 72.7 | Confident | 84.8 | Confident | 18 Ų | 18 | 42 Ų | 42 | 15% | 0.149 | 24% | 0.236 | C | C | . | . | trans | -99.4 | 40.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T278 A319 K320 | T278-A322 HydrophobicContact CG2-CB 3.29Å; A319-A322 HydrophobicContact CB-CB 4.19Å; A319-A322 VanDerWaalsContact O-CB 3.3Å; A319-A322 WeakPolarHBondContact O-CB 3.44Å; A319-A322 PolarHBondContact O-N 3Å; K320-A322 VanDerWaalsContact C-N 3.32Å | ||
| 323 | I | 74.2 | Confident | 84.8 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -82.7 | -17 | -179.6 | -64.1 | -179.6 | 0 | 0 | 0 | 112.4 | H282 L318 G321 V327 F380 N383 L384 | H282-I323 WeakPolarHBondContact CB-O 3.49Å; L318-I323 HydrophobicContact CD1-CG1 4.22Å; G321-I323 PolarHBondContact O-N 3.22Å; I323-V327 HydrophobicContact CG2-CB 3.84Å; I323-V327 HydrophobicContact CG2-CG2 3.7Å; I323-F380 HydrophobicContact CD1-CD1 4.09Å; I323-F380 WeakPolarHBondContact CD1-O 3.37Å; I323-F380 HydrophobicContact CG2-CD1 3.71Å; I323-F380 HydrophobicContact CG2-CE1 3.83Å; I323-N383 HydrophobicContact CD1-CB 3.42Å; I323-N383 VanDerWaalsContact CD1-CB 3.42Å; I323-N383 HydrophobicContact CG1-CB 4.02Å; I323-L384 HydrophobicContact CB-CD2 3.91Å; I323-L384 HydrophobicContact CD1-CD1 4.47Å; I323-L384 HydrophobicContact CD1-CD2 3.28Å; I323-L384 HydrophobicContact CD1-CG 3.53Å; I323-L384 HydrophobicContact CG1-CD2 3.98Å; I323-L384 HydrophobicContact CG2-CD2 4.33Å |
| 324 | G | 77 | Confident | 84.9 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 12% | 0.124 | 23% | 0.226 | C | C | . | . | trans | 82.4 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D326 | G324-D326 VanDerWaalsContact C-N 3.31Å; G324-D326 PolarHBondContact O-N 2.94Å | ||
| 325 | P | 84.3 | Confident | 85 | Confident | 97 Ų | 97 | 40.4 Ų | 40.4 | 63% | 0.63 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -21.8 | -171.3 | 28.6 | -35.5 | 0 | 0 | 0 | 113.9 | V327 | P325-V327 PolarHBondContact O-N 2.75Š|
| 326 | D | 86.9 | Confident | 85.1 | Confident | 43 Ų | 43 | 45 Ų | 45 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 11 | -175.6 | -64.6 | -68.5 | 0 | 0 | 0 | 113.8 | K286 G324 F328 H329 N330 | K286-D326 HydrophobicContact CD-CB 4.48Å; K286-D326 WeakPolarHBondContact CD-OD2 3.39Å; K286-D326 WeakPolarHBondContact CE-OD2 3.23Å; K286-D326 IonicContact NZ-OD1 3.58Å; K286-D326 PolarHBondContact NZ-OD1 2.93Å; K286-D326 IonicContact NZ-OD2 3.68Å; K286-D326 PolarHBondContact NZ-OD2 3.09Å; G324-D326 VanDerWaalsContact C-N 3.31Å; G324-D326 PolarHBondContact O-N 2.94Å; D326-F328 PolarHBondContact O-N 2.92Å; D326-H329 WeakPolarHBondContact O-CB 3.49Å; D326-H329 PolarHBondContact O-N 2.91Å; D326-H329 VanDerWaalsContact O-N 3.08Å; D326-N330 PolarHBondContact O-N 3.28Å |
| 327 | V | 87 | Confident | 85.3 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -52.8 | -52.1 | -174.4 | 66.3 | 0 | 0 | 0 | 0 | 112.4 | I323 P325 H329 N330 F331 L384 | I323-V327 HydrophobicContact CG2-CB 3.84Å; I323-V327 HydrophobicContact CG2-CG2 3.7Å; P325-V327 PolarHBondContact O-N 2.75Å; V327-H329 VanDerWaalsContact C-N 3.29Å; V327-H329 PolarHBondContact O-N 3.34Å; V327-N330 PolarHBondContact O-N 3.21Å; V327-F331 HydrophobicContact CG2-CD2 3.71Å; V327-F331 HydrophobicContact CG2-CE2 3.53Å; V327-F331 WeakPolarHBondContact O-CD2 3.4Å; V327-F331 PolarHBondContact O-N 2.93Å; V327-L384 HydrophobicContact CG2-CD1 3.98Å; V327-L384 HydrophobicContact CG2-CD2 3.98Å |
| 328 | F | 87.8 | Confident | 85.6 | Confident | 55 Ų | 55 | 39 Ų | 39 | 24% | 0.241 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -33.6 | -179.2 | -70.2 | -80 | 0 | 0 | 0 | 112.6 | D326 K332 E391 I392 F395 | D326-F328 PolarHBondContact O-N 2.92Å; F328-K332 VanDerWaalsContact O-CB 3.31Å; F328-K332 WeakPolarHBondContact O-CB 3.35Å; F328-K332 PolarHBondContact O-N 3.42Å; F328-E391 HydrophobicContact CE1-CB 4.17Å; F328-E391 HydrophobicContact CZ-CB 3.91Å; F328-I392 HydrophobicContact CE1-CG1 4.02Å; F328-F395 HydrophobicContact CD1-CD2 4.5Å; F328-F395 HydrophobicContact CD1-CG 4.49Å |
| 329 | H | 91.4 | Very high | 86 | Confident | 104 Ų | 104 | 41.5 Ų | 41.5 | 48% | 0.481 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.1 | -47.3 | 174.7 | -179.7 | 72.5 | 0 | 0 | 0 | 110.8 | D326 V327 F331 K332 S333 | D326-H329 WeakPolarHBondContact O-CB 3.49Å; D326-H329 PolarHBondContact O-N 2.91Å; D326-H329 VanDerWaalsContact O-N 3.08Å; V327-H329 VanDerWaalsContact C-N 3.29Å; V327-H329 PolarHBondContact O-N 3.34Å; H329-F331 PolarHBondContact O-N 3.32Å; H329-K332 WeakPolarHBondContact O-CB 3.35Å; H329-K332 PolarHBondContact O-N 3.05Å; H329-S333 PolarHBondContact O-N 3.36Å; H329-S333 PolarHBondContact O-OG 3.47Å; H329-S333 VanDerWaalsContact O-OG 3.13Å |
| 330 | N | 91.2 | Very high | 86.9 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.011 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 177.8 | -66.2 | -20.5 | 0 | 0 | 0 | 111.7 | V289 D326 V327 S333 L334 F380 | V289-N330 HydrophobicContact CG2-CB 4.37Å; D326-N330 PolarHBondContact O-N 3.28Å; V327-N330 PolarHBondContact O-N 3.21Å; N330-S333 PolarHBondContact O-N 2.89Å; N330-L334 WeakPolarHBondContact O-CG 3.33Å; N330-L334 PolarHBondContact O-N 3.13Å; N330-F380 HydrophobicContact CB-CZ 4.28Å |
| 331 | F | 90.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | 174.6 | -89 | -108 | 0 | 0 | 0 | 111.8 | V327 H329 S333 L334 L335 I377 F380 L384 I392 | V327-F331 HydrophobicContact CG2-CD2 3.71Å; V327-F331 HydrophobicContact CG2-CE2 3.53Å; V327-F331 WeakPolarHBondContact O-CD2 3.4Å; V327-F331 PolarHBondContact O-N 2.93Å; H329-F331 PolarHBondContact O-N 3.32Å; F331-S333 VanDerWaalsContact C-N 3.34Å; F331-S333 PolarHBondContact O-N 3.07Å; F331-L334 PolarHBondContact O-N 3.46Å; F331-L335 WeakPolarHBondContact O-CG 3.35Å; F331-L335 PolarHBondContact O-N 2.98Å; F331-I377 HydrophobicContact CD1-CG2 3.89Å; F331-I377 HydrophobicContact CE1-CB 4.39Å; F331-I377 HydrophobicContact CE1-CG2 3.44Å; F331-I377 VanDerWaalsContact CE1-CG2 3.44Å; F331-I377 HydrophobicContact CZ-CG2 4.33Å; F331-F380 HydrophobicContact CE2-CB 3.43Å; F331-F380 VanDerWaalsContact CE2-CB 3.43Å; F331-F380 AromaticContact CE2-CD1 3.91Å; F331-F380 HydrophobicContact CE2-CD1 3.91Å; F331-F380 HydrophobicContact CE2-CD2 4.37Å; F331-F380 AromaticContact CE2-CG 3.72Å; F331-F380 HydrophobicContact CE2-CG 3.72Å; F331-F380 HydrophobicContact CZ-CB 3.37Å; F331-F380 HydrophobicContact CZ-CG 4.13Å; F331-L384 HydrophobicContact CE2-CD1 4.39Å; F331-L384 HydrophobicContact CZ-CD1 4.34Å; F331-I392 HydrophobicContact CD1-CD1 4.28Å; F331-I392 HydrophobicContact CD1-CG1 4.35Å; F331-I392 HydrophobicContact CD1-CG2 3.74Å; F331-I392 HydrophobicContact CD2-CD1 4.47Å; F331-I392 HydrophobicContact CE1-CB 4.49Å; F331-I392 HydrophobicContact CE1-CD1 3.74Å; F331-I392 HydrophobicContact CE1-CG1 4.21Å; F331-I392 HydrophobicContact CE1-CG2 3.51Å; F331-I392 HydrophobicContact CE2-CD1 3.94Å; F331-I392 HydrophobicContact CZ-CD1 3.54Å; F331-I392 HydrophobicContact CZ-CG1 4.44Å; F331-I392 HydrophobicContact CZ-CG2 4.4Å |
| 332 | K | 91.8 | Very high | 88.5 | Confident | 100 Ų | 100 | 30.5 Ų | 30.5 | 44% | 0.435 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -57.4 | -47 | 177.3 | -171.4 | 174.1 | 179.7 | 175.9 | 0 | 111.6 | F328 H329 L335 Q336 F395 | F328-K332 VanDerWaalsContact O-CB 3.31Å; F328-K332 WeakPolarHBondContact O-CB 3.35Å; F328-K332 PolarHBondContact O-N 3.42Å; H329-K332 WeakPolarHBondContact O-CB 3.35Å; H329-K332 PolarHBondContact O-N 3.05Å; K332-L335 PolarHBondContact O-N 3.24Å; K332-Q336 WeakPolarHBondContact O-CG 3.48Å; K332-Q336 PolarHBondContact O-N 3.29Å; K332-F395 HydrophobicContact CB-CE1 4.12Å; K332-F395 HydrophobicContact CB-CZ 3.69Å; K332-F395 HydrophobicContact CD-CZ 4.25Å; K332-F395 HydrophobicContact CG-CZ 3.92Å |
| 333 | S | 94 | Very high | 89.2 | Confident | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.063 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | 179 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | H329 N330 F331 L335 Q336 I337 | H329-S333 PolarHBondContact O-N 3.36Å; H329-S333 PolarHBondContact O-OG 3.47Å; H329-S333 VanDerWaalsContact O-OG 3.13Å; N330-S333 PolarHBondContact O-N 2.89Å; F331-S333 VanDerWaalsContact C-N 3.34Å; F331-S333 PolarHBondContact O-N 3.07Å; S333-L335 PolarHBondContact O-N 3.33Å; S333-Q336 PolarHBondContact O-N 3.01Å; S333-I337 WeakPolarHBondContact O-CD1 3.31Å; S333-I337 VanDerWaalsContact O-CG1 3.3Å; S333-I337 WeakPolarHBondContact O-CG1 3.42Å; S333-I337 PolarHBondContact O-N 3.43Å |
| 334 | L | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -40.4 | 176 | -69.7 | 175.4 | 0 | 0 | 0 | 112.4 | V289 L292 N330 F331 I337 L338 I373 I377 F380 | V289-L334 HydrophobicContact CG2-CD2 4.44Å; L292-L334 HydrophobicContact CD2-CD2 4.24Å; N330-L334 WeakPolarHBondContact O-CG 3.33Å; N330-L334 PolarHBondContact O-N 3.13Å; F331-L334 PolarHBondContact O-N 3.46Å; L334-I337 PolarHBondContact O-N 3.39Å; L334-L338 WeakPolarHBondContact O-CB 3.25Å; L334-L338 PolarHBondContact O-N 2.82Å; L334-I373 HydrophobicContact CB-CG2 4.16Å; L334-I377 HydrophobicContact CB-CD1 4.1Å; L334-I377 HydrophobicContact CB-CG1 4.23Å; L334-I377 HydrophobicContact CD1-CG1 3.95Å; L334-F380 HydrophobicContact CD1-CD2 4.43Å; L334-F380 HydrophobicContact CD1-CE2 3.89Å |
| 335 | L | 93.1 | Very high | 90 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.8 | -35.5 | 174.6 | -69 | 179.1 | 0 | 0 | 0 | 112.6 | F331 K332 S333 L338 K339 I377 F395 I396 F399 L420 T423 | F331-L335 WeakPolarHBondContact O-CG 3.35Å; F331-L335 PolarHBondContact O-N 2.98Å; K332-L335 PolarHBondContact O-N 3.24Å; S333-L335 PolarHBondContact O-N 3.33Å; L335-L338 HydrophobicContact CD2-CD2 4.3Å; L335-L338 PolarHBondContact O-N 2.92Å; L335-K339 WeakPolarHBondContact O-CB 3.07Å; L335-K339 PolarHBondContact O-N 3.45Å; L335-I377 HydrophobicContact CD2-CD1 3.99Å; L335-F395 HydrophobicContact CD1-CD1 4.07Å; L335-F395 HydrophobicContact CD1-CE1 3.84Å; L335-I396 HydrophobicContact CD1-CG1 4.06Å; L335-F399 HydrophobicContact CB-CD2 4.02Å; L335-F399 HydrophobicContact CB-CE1 4.2Å; L335-F399 HydrophobicContact CB-CE2 3.59Å; L335-F399 HydrophobicContact CB-CG 4.49Å; L335-F399 HydrophobicContact CB-CZ 3.69Å; L335-F399 HydrophobicContact CD1-CB 4.48Å; L335-F399 HydrophobicContact CD1-CD2 3.85Å; L335-F399 HydrophobicContact CD1-CE2 4.28Å; L335-F399 HydrophobicContact CD1-CG 4.16Å; L335-L420 HydrophobicContact CD2-CD2 3.98Å; L335-T423 HydrophobicContact CD2-CG2 4.1Å |
| 336 | Q | 93.3 | Very high | 89.6 | Confident | 97 Ų | 97 | 34.3 Ų | 34.3 | 45% | 0.453 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 174.3 | -74.8 | 175 | -33.8 | 0 | 0 | 111.8 | K332 S333 L338 K339 A340 F399 | K332-Q336 WeakPolarHBondContact O-CG 3.48Å; K332-Q336 PolarHBondContact O-N 3.29Å; S333-Q336 PolarHBondContact O-N 3.01Å; Q336-L338 VanDerWaalsContact C-N 3.34Å; Q336-K339 WeakPolarHBondContact O-CB 3.39Å; Q336-K339 PolarHBondContact O-N 2.85Å; Q336-A340 PolarHBondContact O-N 3.44Å; Q336-F399 HydrophobicContact CG-CE2 4.16Å; Q336-F399 HydrophobicContact CG-CZ 3.97Å |
| 337 | I | 93.8 | Very high | 89 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.6 | -40.5 | 175.1 | -65 | 157.9 | 0 | 0 | 0 | 110.7 | L292 E296 S333 L334 A340 S341 F369 I373 | L292-I337 HydrophobicContact CB-CD1 4.38Å; L292-I337 HydrophobicContact CD2-CD1 3.76Å; L292-I337 HydrophobicContact CG-CD1 3.76Å; E296-I337 HydrophobicContact CG-CG1 4.35Å; E296-I337 HydrophobicContact CG-CG2 4.34Å; S333-I337 WeakPolarHBondContact O-CD1 3.31Å; S333-I337 VanDerWaalsContact O-CG1 3.3Å; S333-I337 WeakPolarHBondContact O-CG1 3.42Å; S333-I337 PolarHBondContact O-N 3.43Å; L334-I337 PolarHBondContact O-N 3.39Å; I337-A340 PolarHBondContact O-N 2.86Å; I337-S341 PolarHBondContact O-N 2.69Å; I337-F369 HydrophobicContact CG2-CE1 4.04Å; I337-F369 HydrophobicContact CG2-CZ 3.76Å; I337-I373 HydrophobicContact CG2-CD1 3.9Å |
| 338 | L | 92.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 175.8 | -171.4 | 61.6 | 0 | 0 | 0 | 111.1 | L334 L335 Q336 A340 S341 I342 Q370 I373 I374 V419 | L334-L338 WeakPolarHBondContact O-CB 3.25Å; L334-L338 PolarHBondContact O-N 2.82Å; L335-L338 HydrophobicContact CD2-CD2 4.3Å; L335-L338 PolarHBondContact O-N 2.92Å; Q336-L338 VanDerWaalsContact C-N 3.34Å; L338-A340 PolarHBondContact O-N 2.86Å; L338-S341 PolarHBondContact O-N 3.39Å; L338-I342 HydrophobicContact CG-CD1 4.34Å; L338-I342 WeakPolarHBondContact O-CD1 3.39Å; L338-I342 VanDerWaalsContact O-CG1 3.29Å; L338-I342 WeakPolarHBondContact O-CG1 3.3Å; L338-I342 PolarHBondContact O-N 2.69Å; L338-I342 VanDerWaalsContact O-N 3.13Å; L338-Q370 HydrophobicContact CD1-CB 3.72Å; L338-Q370 HydrophobicContact CD1-CG 3.82Å; L338-I373 HydrophobicContact CB-CD1 4.48Å; L338-I373 HydrophobicContact CB-CG2 4.31Å; L338-I373 HydrophobicContact CD1-CB 4.28Å; L338-I373 HydrophobicContact CD1-CD1 4.26Å; L338-I373 HydrophobicContact CD1-CG2 4.34Å; L338-I374 HydrophobicContact CD2-CG1 4.26Å; L338-V419 HydrophobicContact CD1-CG1 3.84Å; L338-V419 HydrophobicContact CD2-CG1 3.46Å; L338-V419 VanDerWaalsContact CD2-CG1 3.46Å; L338-V419 HydrophobicContact CG-CG1 3.63Å |
| 339 | K | 91.7 | Very high | 87.1 | Confident | 60 Ų | 60 | 41.6 Ų | 41.6 | 26% | 0.261 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.1 | -48 | 173.4 | 178.2 | 173.6 | 180 | 174.3 | 0 | 111.8 | L335 Q336 S341 I342 D343 F399 E400 L416 | L335-K339 WeakPolarHBondContact O-CB 3.07Å; L335-K339 PolarHBondContact O-N 3.45Å; Q336-K339 WeakPolarHBondContact O-CB 3.39Å; Q336-K339 PolarHBondContact O-N 2.85Å; K339-S341 VanDerWaalsContact C-N 3.33Å; K339-S341 PolarHBondContact O-N 3.12Å; K339-I342 WeakPolarHBondContact O-CB 3.3Å; K339-I342 PolarHBondContact O-N 3.25Å; K339-I342 VanDerWaalsContact O-N 3.11Å; K339-D343 PolarHBondContact O-N 3.18Å; K339-F399 HydrophobicContact CB-CE1 4.37Å; K339-F399 HydrophobicContact CD-CE1 4.09Å; K339-E400 PolarHBondContact NZ-O 3.46Å; K339-L416 HydrophobicContact CB-CD1 3.93Å; K339-L416 HydrophobicContact CD-CD2 3.98Å; K339-L416 HydrophobicContact CG-CD1 3.99Å; K339-L416 HydrophobicContact CG-CD2 3.9Å |
| 340 | A | 91.4 | Very high | 85.7 | Confident | 20 Ų | 20 | 41.1 Ų | 41.1 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -35.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E296 Q336 I337 L338 D343 K344 | E296-A340 WeakPolarHBondContact OE1-CB 3.47Å; Q336-A340 PolarHBondContact O-N 3.44Å; I337-A340 PolarHBondContact O-N 2.86Å; L338-A340 PolarHBondContact O-N 2.86Å; A340-D343 PolarHBondContact O-N 3.37Å; A340-K344 VanDerWaalsContact O-CG 3.31Å; A340-K344 WeakPolarHBondContact O-CG 3.39Å; A340-K344 PolarHBondContact O-N 3Å |
| 341 | S | 91.4 | Very high | 84 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 172.7 | 171.7 | 0 | 0 | 0 | 0 | 112.7 | I337 L338 K339 K344 T345 E366 Q370 | I337-S341 PolarHBondContact O-N 2.69Å; L338-S341 PolarHBondContact O-N 3.39Å; K339-S341 VanDerWaalsContact C-N 3.33Å; K339-S341 PolarHBondContact O-N 3.12Å; S341-K344 PolarHBondContact O-N 2.67Å; S341-T345 PolarHBondContact O-N 3.23Å; S341-T345 PolarHBondContact O-OG1 2.9Å; S341-E366 WeakPolarHBondContact CB-OE2 3.46Å; S341-E366 PolarHBondContact OG-OE2 2.99Å; S341-Q370 WeakPolarHBondContact OG-CG 3.33Å; S341-Q370 PolarHBondContact OG-NE2 3.43Å |
| 342 | I | 88.6 | Confident | 82.5 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70 | -40.1 | 177.7 | -64.6 | 162.6 | 0 | 0 | 0 | 111 | L338 K339 K344 T345 S346 P415 L416 V419 | L338-I342 HydrophobicContact CG-CD1 4.34Å; L338-I342 WeakPolarHBondContact O-CD1 3.39Å; L338-I342 VanDerWaalsContact O-CG1 3.29Å; L338-I342 WeakPolarHBondContact O-CG1 3.3Å; L338-I342 PolarHBondContact O-N 2.69Å; L338-I342 VanDerWaalsContact O-N 3.13Å; K339-I342 WeakPolarHBondContact O-CB 3.3Å; K339-I342 PolarHBondContact O-N 3.25Å; K339-I342 VanDerWaalsContact O-N 3.11Å; I342-K344 VanDerWaalsContact C-N 3.32Å; I342-K344 PolarHBondContact O-N 3.39Å; I342-T345 WeakPolarHBondContact O-CB 3.4Å; I342-T345 PolarHBondContact O-N 3.42Å; I342-S346 PolarHBondContact O-N 3.25Å; I342-S346 PolarHBondContact O-OG 2.97Å; I342-P415 HydrophobicContact CG2-CB 3.66Å; I342-L416 HydrophobicContact CD1-CD1 3.72Å; I342-L416 HydrophobicContact CG2-CB 4.31Å; I342-V419 HydrophobicContact CD1-CB 3.53Å; I342-V419 HydrophobicContact CD1-CG1 3.64Å; I342-V419 HydrophobicContact CD1-CG2 3.71Å; I342-V419 HydrophobicContact CG1-CG2 4.23Å |
| 343 | D | 86.2 | Confident | 80.9 | Confident | 72 Ų | 72 | 55.2 Ų | 55.2 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 174.4 | -65.9 | -22.8 | 0 | 0 | 0 | 110.8 | K339 A340 S346 Q347 | K339-D343 PolarHBondContact O-N 3.18Å; A340-D343 PolarHBondContact O-N 3.37Å; D343-S346 PolarHBondContact O-N 3.34Å; D343-Q347 WeakPolarHBondContact O-CG 3.43Å; D343-Q347 PolarHBondContact O-N 3.17Å |
| 344 | K | 84.9 | Confident | 78.9 | Confident | 59 Ų | 59 | 61 Ų | 61 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 172.5 | -72.8 | 167 | -177.9 | 163.7 | 0 | 112.2 | E296 A340 S341 I342 S346 Q347 I348 | E296-K344 PolarHBondContact O-NZ 3.43Å; E296-K344 IonicContact OE1-NZ 3.66Å; E296-K344 PolarHBondContact OE1-NZ 3.42Å; A340-K344 VanDerWaalsContact O-CG 3.31Å; A340-K344 WeakPolarHBondContact O-CG 3.39Å; A340-K344 PolarHBondContact O-N 3Å; S341-K344 PolarHBondContact O-N 2.67Å; I342-K344 VanDerWaalsContact C-N 3.32Å; I342-K344 PolarHBondContact O-N 3.39Å; K344-S346 VanDerWaalsContact C-N 3.33Å; K344-S346 PolarHBondContact O-N 2.79Å; K344-Q347 PolarHBondContact O-N 2.86Å; K344-I348 WeakPolarHBondContact O-CG1 3.43Å; K344-I348 PolarHBondContact O-N 2.98Å |
| 345 | T | 83.9 | Confident | 77.4 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 12% | 0.117 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.6 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | S341 I342 Q347 I348 S349 L363 Q370 | S341-T345 PolarHBondContact O-N 3.23Å; S341-T345 PolarHBondContact O-OG1 2.9Å; I342-T345 WeakPolarHBondContact O-CB 3.4Å; I342-T345 PolarHBondContact O-N 3.42Å; T345-Q347 VanDerWaalsContact C-N 3.28Å; T345-Q347 PolarHBondContact O-N 3.32Å; T345-I348 PolarHBondContact O-N 3.48Å; T345-I348 VanDerWaalsContact O-N 3.1Å; T345-S349 PolarHBondContact O-N 3.1Å; T345-S349 PolarHBondContact O-OG 3.36Å; T345-S349 VanDerWaalsContact O-OG 3.12Å; T345-L363 HydrophobicContact CG2-CD2 3.54Å; T345-Q370 PolarHBondContact OG1-NE2 2.97Å; T345-Q370 VanDerWaalsContact OG1-NE2 3.12Å |
| 346 | S | 75.5 | Confident | 76.1 | Confident | 62 Ų | 62 | 70.8 Ų | 70.8 | 43% | 0.434 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.3 | -32.9 | 180 | -55 | 0 | 0 | 0 | 0 | 112.5 | I342 D343 K344 | I342-S346 PolarHBondContact O-N 3.25Å; I342-S346 PolarHBondContact O-OG 2.97Å; D343-S346 PolarHBondContact O-N 3.34Å; K344-S346 VanDerWaalsContact C-N 3.33Å; K344-S346 PolarHBondContact O-N 2.79Å |
| 347 | Q | 74.7 | Confident | 75 | Confident | 145 Ų | 145 | 72.7 Ų | 72.7 | 68% | 0.678 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -72.6 | -28.9 | 175 | -66.3 | 170.8 | 22.8 | 0 | 0 | 113.1 | D343 K344 T345 | D343-Q347 WeakPolarHBondContact O-CG 3.43Å; D343-Q347 PolarHBondContact O-N 3.17Å; K344-Q347 PolarHBondContact O-N 2.86Å; T345-Q347 VanDerWaalsContact C-N 3.28Å; T345-Q347 PolarHBondContact O-N 3.32Å |
| 348 | I | 71.3 | Confident | 73.9 | Confident | 43 Ų | 43 | 75.8 Ų | 75.8 | 22% | 0.221 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -76.6 | -26.7 | 178.6 | -62.7 | 161.6 | 0 | 0 | 0 | 111.1 | K344 T345 D350 K362 L363 | K344-I348 WeakPolarHBondContact O-CG1 3.43Å; K344-I348 PolarHBondContact O-N 2.98Å; T345-I348 PolarHBondContact O-N 3.48Å; T345-I348 VanDerWaalsContact O-N 3.1Å; I348-D350 PolarHBondContact O-N 3.24Å; I348-K362 HydrophobicContact CD1-CB 4.29Å; I348-L363 HydrophobicContact CB-CD2 3.99Å; I348-L363 HydrophobicContact CB-CG 4.46Å; I348-L363 HydrophobicContact CG2-CD1 4.38Å; I348-L363 HydrophobicContact CG2-CD2 3.9Å; I348-L363 HydrophobicContact CG2-CG 3.81Å |
| 349 | S | 63.4 | Low | 73 | Confident | 70 Ų | 70 | 76.9 Ų | 76.9 | 49% | 0.49 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -1.6 | -179 | -53.4 | 0 | 0 | 0 | 0 | 114.7 | T345 P351 | T345-S349 PolarHBondContact O-N 3.1Å; T345-S349 PolarHBondContact O-OG 3.36Å; T345-S349 VanDerWaalsContact O-OG 3.12Å; S349-P351 WeakPolarHBondContact O-CD 3.27Å |
| 350 | D | 60.5 | Low | 72.3 | Confident | 94 Ų | 94 | 77.5 Ų | 77.5 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | trans | -66.2 | 121.5 | -178.1 | -158.9 | -16.7 | 0 | 0 | 0 | 111.2 | I348 D352 | I348-D350 PolarHBondContact O-N 3.24Å; D350-D352 PolarHBondContact O-N 3.33Å | ||
| 351 | P | 56.9 | Low | 71.6 | Confident | 119 Ų | 119 | 85.8 Ų | 85.8 | 77% | 0.773 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -11.6 | -173.8 | 17.6 | -32.2 | 0 | 0 | 0 | 116.3 | S349 Q353 | S349-P351 WeakPolarHBondContact O-CD 3.27Å; P351-Q353 VanDerWaalsContact C-N 3.27Å; P351-Q353 PolarHBondContact O-N 3.13Å |
| 352 | D | 59.7 | Low | 71.1 | Confident | 144 Ų | 144 | 90.6 Ų | 90.6 | 77% | 0.77 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 3.3 | -176.9 | -73.6 | -19.2 | 0 | 0 | 0 | 114.8 | D350 P354 | D350-D352 PolarHBondContact O-N 3.33Å; D352-P354 WeakPolarHBondContact O-CD 3.46Å |
| 353 | Q | 56.7 | Low | 70.8 | Confident | 134 Ų | 134 | 91.3 Ų | 91.3 | 63% | 0.626 | 48% | 0.48 | S | S | * | . | trans | -96.4 | 113.2 | 178.7 | -77.3 | -90.9 | -19.8 | 0 | 0 | 113.2 | P351 S355 | P351-Q353 VanDerWaalsContact C-N 3.27Å; P351-Q353 PolarHBondContact O-N 3.13Å; Q353-S355 VanDerWaalsContact C-N 3.29Å; Q353-S355 PolarHBondContact O-N 3.42Å; Q353-S355 VanDerWaalsContact O-N 3.07Å | ||
| 354 | P | 53.1 | Low | 70.7 | Confident | 132 Ų | 132 | 90.5 Ų | 90.5 | 86% | 0.857 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -77.3 | 10.9 | -168.2 | 28.2 | -33.9 | 0 | 0 | 0 | 116.9 | D352 | D352-P354 WeakPolarHBondContact O-CD 3.46Š|
| 355 | S | 62.3 | Low | 70.8 | Confident | 54 Ų | 54 | 88.3 Ų | 88.3 | 38% | 0.378 | 47% | 0.474 | S | S | . | . | trans | -119.7 | 78.8 | -178.8 | 65 | 0 | 0 | 0 | 0 | 113.3 | Q353 N357 D358 S359 | Q353-S355 VanDerWaalsContact C-N 3.29Å; Q353-S355 PolarHBondContact O-N 3.42Å; Q353-S355 VanDerWaalsContact O-N 3.07Å; S355-N357 VanDerWaalsContact C-N 3.26Å; S355-N357 PolarHBondContact O-N 3.44Å; S355-N357 VanDerWaalsContact O-N 3.13Å; S355-D358 PolarHBondContact O-N 3.35Å; S355-S359 PolarHBondContact O-N 3.44Å; S355-S359 PolarHBondContact O-OG 3.33Å | ||
| 356 | F | 65.3 | Low | 71.1 | Confident | 152 Ų | 152 | 88 Ų | 88 | 67% | 0.667 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -51.8 | -34.5 | -176.5 | -171.8 | -99 | 0 | 0 | 0 | 115.4 | S359 N360 | F356-S359 PolarHBondContact O-OG 2.95Å; F356-N360 WeakPolarHBondContact CE1-ND2 3.39Å; F356-N360 WeakPolarHBondContact CZ-ND2 3.37Å; F356-N360 PolarHBondContact O-N 2.96Å; F356-N360 PolarHBondContact O-ND2 3.38Å; F356-N360 VanDerWaalsContact O-ND2 3.1Å |
| 357 | N | 70.8 | Confident | 71.7 | Confident | 136 Ų | 136 | 91.7 Ų | 91.7 | 73% | 0.727 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -77.9 | -34.9 | -177.8 | -71.8 | -14.1 | 0 | 0 | 0 | 113.3 | S355 R361 | S355-N357 VanDerWaalsContact C-N 3.26Å; S355-N357 PolarHBondContact O-N 3.44Å; S355-N357 VanDerWaalsContact O-N 3.13Å; N357-R361 PolarHBondContact O-N 3.27Å |
| 358 | D | 71.7 | Confident | 72.4 | Confident | 70 Ų | 70 | 89.3 Ų | 89.3 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -76.7 | -36.5 | -179.5 | -168.7 | 36.5 | 0 | 0 | 0 | 111.2 | S355 R361 K362 | S355-D358 PolarHBondContact O-N 3.35Å; D358-R361 PolarHBondContact O-N 3.16Å; D358-K362 WeakPolarHBondContact O-CG 3.29Å; D358-K362 PolarHBondContact O-N 2.86Å; D358-K362 IonicContact OD1-NZ 3.19Å; D358-K362 VanDerWaalsContact OD2-CE 3.25Å; D358-K362 WeakPolarHBondContact OD2-CE 3.42Å; D358-K362 IonicContact OD2-NZ 2.74Å; D358-K362 PolarHBondContact OD2-NZ 3.48Å |
| 359 | S | 72.5 | Confident | 73.5 | Confident | 23 Ų | 23 | 87.3 Ų | 87.3 | 16% | 0.161 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 173.6 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | S355 F356 R361 K362 L363 | S355-S359 PolarHBondContact O-N 3.44Å; S355-S359 PolarHBondContact O-OG 3.33Å; F356-S359 PolarHBondContact O-OG 2.95Å; S359-R361 VanDerWaalsContact C-N 3.33Å; S359-R361 PolarHBondContact O-N 2.82Å; S359-K362 PolarHBondContact O-N 3.25Å; S359-L363 WeakPolarHBondContact O-CB 3.14Å; S359-L363 WeakPolarHBondContact O-CG 3.49Å; S359-L363 PolarHBondContact O-N 3.39Å |
| 360 | N | 77 | Confident | 75 | Confident | 73 Ų | 73 | 84.9 Ų | 84.9 | 39% | 0.39 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 176.8 | -80.4 | -33.5 | 0 | 0 | 0 | 112.9 | F356 L363 S364 | F356-N360 WeakPolarHBondContact CE1-ND2 3.39Å; F356-N360 WeakPolarHBondContact CZ-ND2 3.37Å; F356-N360 PolarHBondContact O-N 2.96Å; F356-N360 PolarHBondContact O-ND2 3.38Å; F356-N360 VanDerWaalsContact O-ND2 3.1Å; N360-L363 PolarHBondContact O-N 3.35Å; N360-S364 WeakPolarHBondContact O-CB 3.44Å; N360-S364 PolarHBondContact O-N 3.48Å; N360-S364 PolarHBondContact O-OG 3.42Å |
| 361 | R | 77.6 | Confident | 76.5 | Confident | 195 Ų | 195 | 81.4 Ų | 81.4 | 74% | 0.736 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.3 | -45.7 | 176.4 | -171.6 | 177.9 | 178.7 | -174.8 | -1.4 | 111.5 | N357 D358 S359 S364 G365 | N357-R361 PolarHBondContact O-N 3.27Å; D358-R361 PolarHBondContact O-N 3.16Å; S359-R361 VanDerWaalsContact C-N 3.33Å; S359-R361 PolarHBondContact O-N 2.82Å; R361-S364 PolarHBondContact O-N 3.19Å; R361-S364 PolarHBondContact O-OG 2.98Å; R361-G365 PolarHBondContact O-N 3.13Å |
| 362 | K | 80.9 | Confident | 78.2 | Confident | 101 Ų | 101 | 76.5 Ų | 76.5 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 176.5 | -71.5 | 173.1 | -173.7 | 162.7 | 0 | 112 | I348 D358 S359 S364 G365 E366 | I348-K362 HydrophobicContact CD1-CB 4.29Å; D358-K362 WeakPolarHBondContact O-CG 3.29Å; D358-K362 PolarHBondContact O-N 2.86Å; D358-K362 IonicContact OD1-NZ 3.19Å; D358-K362 VanDerWaalsContact OD2-CE 3.25Å; D358-K362 WeakPolarHBondContact OD2-CE 3.42Å; D358-K362 IonicContact OD2-NZ 2.74Å; D358-K362 PolarHBondContact OD2-NZ 3.48Å; S359-K362 PolarHBondContact O-N 3.25Å; K362-S364 PolarHBondContact O-N 3.11Å; K362-G365 PolarHBondContact O-N 3.38Å; K362-E366 PolarHBondContact O-N 3.29Å |
| 363 | L | 82.9 | Confident | 80 | Confident | 21 Ų | 21 | 69.7 Ų | 69.7 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 175.7 | -70.9 | 167.2 | 0 | 0 | 0 | 111.6 | T345 I348 S359 N360 G365 E366 R367 | T345-L363 HydrophobicContact CG2-CD2 3.54Å; I348-L363 HydrophobicContact CB-CD2 3.99Å; I348-L363 HydrophobicContact CB-CG 4.46Å; I348-L363 HydrophobicContact CG2-CD1 4.38Å; I348-L363 HydrophobicContact CG2-CD2 3.9Å; I348-L363 HydrophobicContact CG2-CG 3.81Å; S359-L363 WeakPolarHBondContact O-CB 3.14Å; S359-L363 WeakPolarHBondContact O-CG 3.49Å; S359-L363 PolarHBondContact O-N 3.39Å; N360-L363 PolarHBondContact O-N 3.35Å; L363-G365 VanDerWaalsContact C-N 3.3Å; L363-G365 PolarHBondContact O-N 2.96Å; L363-E366 PolarHBondContact O-N 2.99Å; L363-R367 WeakPolarHBondContact O-CG 3.42Å; L363-R367 PolarHBondContact O-N 3.43Å |
| 364 | S | 83.8 | Confident | 81.8 | Confident | 54 Ų | 54 | 63.4 Ų | 63.4 | 38% | 0.378 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 177.5 | 74.2 | 0 | 0 | 0 | 0 | 112.5 | N360 R361 K362 Q368 | N360-S364 WeakPolarHBondContact O-CB 3.44Å; N360-S364 PolarHBondContact O-N 3.48Å; N360-S364 PolarHBondContact O-OG 3.42Å; R361-S364 PolarHBondContact O-N 3.19Å; R361-S364 PolarHBondContact O-OG 2.98Å; K362-S364 PolarHBondContact O-N 3.11Å; S364-Q368 WeakPolarHBondContact O-CG 3.33Å; S364-Q368 PolarHBondContact O-N 3.45Å; S364-Q368 VanDerWaalsContact O-N 3.12Å |
| 365 | G | 87.3 | Confident | 83.7 | Confident | 13 Ų | 13 | 59 Ų | 59 | 13% | 0.134 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.7 | -43.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L301 R361 K362 L363 R367 Q368 F369 | L301-G365 VanDerWaalsContact CD2-C 3.48Å; R361-G365 PolarHBondContact O-N 3.13Å; K362-G365 PolarHBondContact O-N 3.38Å; L363-G365 VanDerWaalsContact C-N 3.3Å; L363-G365 PolarHBondContact O-N 2.96Å; G365-R367 VanDerWaalsContact C-N 3.28Å; G365-R367 PolarHBondContact O-N 2.91Å; G365-Q368 PolarHBondContact O-N 2.71Å; G365-F369 PolarHBondContact O-N 2.86Å |
| 366 | E | 89.5 | Confident | 85.1 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 176.7 | -75.3 | -70.8 | 160.7 | 0 | 0 | 110.7 | L301 R304 S341 K362 L363 Q368 F369 Q370 | L301-E366 HydrophobicContact CD1-CG 4.38Å; L301-E366 HydrophobicContact CD2-CG 4.26Å; R304-E366 IonicContact CZ-OE1 3.28Å; R304-E366 IonicContact NH2-OE1 3.46Å; R304-E366 PolarHBondContact NH2-OE1 2.95Å; S341-E366 WeakPolarHBondContact CB-OE2 3.46Å; S341-E366 PolarHBondContact OG-OE2 2.99Å; K362-E366 PolarHBondContact O-N 3.29Å; L363-E366 PolarHBondContact O-N 2.99Å; E366-Q368 PolarHBondContact O-N 3.26Å; E366-F369 WeakPolarHBondContact O-CB 3.27Å; E366-F369 PolarHBondContact O-N 2.75Å; E366-Q370 WeakPolarHBondContact O-CG 3.13Å; E366-Q370 PolarHBondContact O-N 3.43Å |
| 367 | R | 88.3 | Confident | 86.4 | Confident | 140 Ų | 140 | 49.6 Ų | 49.6 | 53% | 0.528 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 172.6 | -71.5 | 179.9 | -174.4 | 179.3 | 0.7 | 112.8 | L363 G365 F369 Q370 E371 | L363-R367 WeakPolarHBondContact O-CG 3.42Å; L363-R367 PolarHBondContact O-N 3.43Å; G365-R367 VanDerWaalsContact C-N 3.28Å; G365-R367 PolarHBondContact O-N 2.91Å; R367-F369 VanDerWaalsContact C-N 3.31Å; R367-F369 PolarHBondContact O-N 3.17Å; R367-Q370 PolarHBondContact O-N 3.04Å; R367-E371 WeakPolarHBondContact O-CB 3.31Å; R367-E371 PolarHBondContact O-N 3.41Å |
| 368 | Q | 89.7 | Confident | 87.4 | Confident | 95 Ų | 95 | 43.4 Ų | 43.4 | 44% | 0.444 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.2 | -36.3 | 175.7 | -72.3 | 174.5 | 17.5 | 0 | 0 | 112.2 | S364 G365 E366 A372 | S364-Q368 WeakPolarHBondContact O-CG 3.33Å; S364-Q368 PolarHBondContact O-N 3.45Å; S364-Q368 VanDerWaalsContact O-N 3.12Å; G365-Q368 PolarHBondContact O-N 2.71Å; E366-Q368 PolarHBondContact O-N 3.26Å; Q368-A372 WeakPolarHBondContact O-CB 3.3Å; Q368-A372 PolarHBondContact O-N 2.93Å |
| 369 | F | 94 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -45.6 | 174.3 | 173.8 | -115.4 | 0 | 0 | 0 | 112 | L301 R304 V308 I337 G365 E366 R367 E371 A372 I373 | L301-F369 HydrophobicContact CD1-CB 3.52Å; L301-F369 HydrophobicContact CD1-CD1 4.22Å; L301-F369 HydrophobicContact CD1-CG 3.87Å; R304-F369 HydrophobicContact CB-CD2 4.16Å; R304-F369 HydrophobicContact CB-CE2 3.56Å; R304-F369 HydrophobicContact CB-CZ 3.92Å; V308-F369 HydrophobicContact CG2-CD2 4.34Å; V308-F369 HydrophobicContact CG2-CE2 3.63Å; V308-F369 HydrophobicContact CG2-CZ 4.44Å; I337-F369 HydrophobicContact CG2-CE1 4.04Å; I337-F369 HydrophobicContact CG2-CZ 3.76Å; G365-F369 PolarHBondContact O-N 2.86Å; E366-F369 WeakPolarHBondContact O-CB 3.27Å; E366-F369 PolarHBondContact O-N 2.75Å; R367-F369 VanDerWaalsContact C-N 3.31Å; R367-F369 PolarHBondContact O-N 3.17Å; F369-E371 VanDerWaalsContact C-N 3.32Å; F369-E371 PolarHBondContact O-N 3.42Å; F369-A372 WeakPolarHBondContact O-CB 3.21Å; F369-A372 PolarHBondContact O-N 3.33Å; F369-I373 HydrophobicContact CD1-CD1 4.17Å; F369-I373 HydrophobicContact CE1-CD1 3.65Å; F369-I373 HydrophobicContact CE2-CD1 4.03Å; F369-I373 HydrophobicContact CE2-CG1 4.34Å; F369-I373 HydrophobicContact CZ-CD1 3.59Å; F369-I373 HydrophobicContact CZ-CG1 4.37Å; F369-I373 WeakPolarHBondContact O-CG1 3.49Å; F369-I373 PolarHBondContact O-N 2.98Å |
| 370 | Q | 93.9 | Very high | 89.1 | Confident | 19 Ų | 19 | 41.3 Ų | 41.3 | 9% | 0.089 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.3 | -46.2 | 174.3 | -69.1 | 161.3 | 12.7 | 0 | 0 | 111 | L338 S341 T345 E366 R367 A372 I373 I374 | L338-Q370 HydrophobicContact CD1-CB 3.72Å; L338-Q370 HydrophobicContact CD1-CG 3.82Å; S341-Q370 WeakPolarHBondContact OG-CG 3.33Å; S341-Q370 PolarHBondContact OG-NE2 3.43Å; T345-Q370 PolarHBondContact OG1-NE2 2.97Å; T345-Q370 VanDerWaalsContact OG1-NE2 3.12Å; E366-Q370 WeakPolarHBondContact O-CG 3.13Å; E366-Q370 PolarHBondContact O-N 3.43Å; R367-Q370 PolarHBondContact O-N 3.04Å; Q370-A372 PolarHBondContact O-N 3.24Å; Q370-I373 WeakPolarHBondContact O-CB 3.49Å; Q370-I373 PolarHBondContact O-N 3.14Å; Q370-I374 VanDerWaalsContact O-CG1 3.31Å; Q370-I374 WeakPolarHBondContact O-CG1 3.41Å; Q370-I374 PolarHBondContact O-N 3.21Å |
| 371 | E | 92.5 | Very high | 89.8 | Confident | 21 Ų | 21 | 37.9 Ų | 37.9 | 10% | 0.098 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 176.9 | -171.4 | -174.2 | -176.1 | 0 | 0 | 112.5 | R367 F369 I373 I374 N375 R830 M833 | R367-E371 WeakPolarHBondContact O-CB 3.31Å; R367-E371 PolarHBondContact O-N 3.41Å; F369-E371 VanDerWaalsContact C-N 3.32Å; F369-E371 PolarHBondContact O-N 3.42Å; E371-I373 VanDerWaalsContact C-N 3.28Å; E371-I373 PolarHBondContact O-N 3.39Å; E371-I374 PolarHBondContact O-N 3.48Å; E371-N375 WeakPolarHBondContact O-CB 3.42Å; E371-N375 VanDerWaalsContact O-CG 3.31Å; E371-N375 PolarHBondContact O-N 2.96Å; E371-N375 PolarHBondContact O-ND2 3.43Å; E371-R830 WeakPolarHBondContact OE1-CA 3.42Å; E371-R830 WeakPolarHBondContact OE1-CG 3.49Å; E371-R830 PolarHBondContact OE1-N 3.27Å; E371-R830 WeakPolarHBondContact OE2-CD 3.4Å; E371-R830 WeakPolarHBondContact OE2-CG 3.31Å; E371-R830 IonicContact OE2-NE 3.66Å; E371-M833 HydrophobicContact CG-SD 3.96Å |
| 372 | A | 93.9 | Very high | 90.4 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 14% | 0.14 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -38.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T305 V308 Q368 F369 Q370 T376 | T305-A372 HydrophobicContact CG2-CB 4.44Å; V308-A372 HydrophobicContact CB-CB 4.49Å; V308-A372 VanDerWaalsContact CG1-C 3.47Å; V308-A372 HydrophobicContact CG1-CB 3.79Å; V308-A372 WeakPolarHBondContact CG1-O 3.48Å; Q368-A372 WeakPolarHBondContact O-CB 3.3Å; Q368-A372 PolarHBondContact O-N 2.93Å; F369-A372 WeakPolarHBondContact O-CB 3.21Å; F369-A372 PolarHBondContact O-N 3.33Å; Q370-A372 PolarHBondContact O-N 3.24Å; A372-T376 WeakPolarHBondContact O-CB 3.32Å; A372-T376 PolarHBondContact O-N 2.93Å; A372-T376 PolarHBondContact O-OG1 2.65Å |
| 373 | I | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.3 | -48.9 | 174.5 | -66.3 | 168.5 | 0 | 0 | 0 | 110.4 | V308 L334 I337 L338 F369 Q370 E371 N375 T376 I377 | V308-I373 HydrophobicContact CG1-CG1 4.13Å; V308-I373 HydrophobicContact CG2-CG1 3.89Å; L334-I373 HydrophobicContact CB-CG2 4.16Å; I337-I373 HydrophobicContact CG2-CD1 3.9Å; L338-I373 HydrophobicContact CB-CD1 4.48Å; L338-I373 HydrophobicContact CB-CG2 4.31Å; L338-I373 HydrophobicContact CD1-CB 4.28Å; L338-I373 HydrophobicContact CD1-CD1 4.26Å; L338-I373 HydrophobicContact CD1-CG2 4.34Å; F369-I373 HydrophobicContact CD1-CD1 4.17Å; F369-I373 HydrophobicContact CE1-CD1 3.65Å; F369-I373 HydrophobicContact CE2-CD1 4.03Å; F369-I373 HydrophobicContact CE2-CG1 4.34Å; F369-I373 HydrophobicContact CZ-CD1 3.59Å; F369-I373 HydrophobicContact CZ-CG1 4.37Å; F369-I373 WeakPolarHBondContact O-CG1 3.49Å; F369-I373 PolarHBondContact O-N 2.98Å; Q370-I373 WeakPolarHBondContact O-CB 3.49Å; Q370-I373 PolarHBondContact O-N 3.14Å; E371-I373 VanDerWaalsContact C-N 3.28Å; E371-I373 PolarHBondContact O-N 3.39Å; I373-N375 VanDerWaalsContact C-N 3.32Å; I373-N375 PolarHBondContact O-N 2.91Å; I373-T376 WeakPolarHBondContact O-CB 3.45Å; I373-T376 PolarHBondContact O-N 3.06Å; I373-T376 VanDerWaalsContact O-N 3.14Å; I373-I377 HydrophobicContact CG2-CD1 3.86Å; I373-I377 HydrophobicContact CG2-CG1 4.36Å; I373-I377 WeakPolarHBondContact O-CG1 3.25Å; I373-I377 PolarHBondContact O-N 3.38Å |
| 374 | I | 94.3 | Very high | 91 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.9 | -45.3 | 179.5 | -66.9 | 167.3 | 0 | 0 | 0 | 111 | L338 Q370 E371 T376 I377 A378 V419 T426 M833 | L338-I374 HydrophobicContact CD2-CG1 4.26Å; Q370-I374 VanDerWaalsContact O-CG1 3.31Å; Q370-I374 WeakPolarHBondContact O-CG1 3.41Å; Q370-I374 PolarHBondContact O-N 3.21Å; E371-I374 PolarHBondContact O-N 3.48Å; I374-T376 VanDerWaalsContact C-N 3.34Å; I374-T376 PolarHBondContact O-N 3.22Å; I374-I377 WeakPolarHBondContact O-CB 3.12Å; I374-I377 PolarHBondContact O-N 3.22Å; I374-A378 PolarHBondContact O-N 3.17Å; I374-V419 HydrophobicContact CD1-CG1 4.13Å; I374-T426 HydrophobicContact CG2-CG2 4.12Å; I374-T426 WeakPolarHBondContact CG2-OG1 3Å; I374-M833 HydrophobicContact CD1-CE 4.46Å |
| 375 | N | 92.8 | Very high | 91.2 | Very high | 39 Ų | 39 | 28.1 Ų | 28.1 | 21% | 0.209 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.8 | -38.3 | 177.7 | -72.6 | -25.9 | 0 | 0 | 0 | 112 | E371 I373 A378 E379 | E371-N375 WeakPolarHBondContact O-CB 3.42Å; E371-N375 VanDerWaalsContact O-CG 3.31Å; E371-N375 PolarHBondContact O-N 2.96Å; E371-N375 PolarHBondContact O-ND2 3.43Å; I373-N375 VanDerWaalsContact C-N 3.32Å; I373-N375 PolarHBondContact O-N 2.91Å; N375-A378 WeakPolarHBondContact O-CB 2.93Å; N375-A378 PolarHBondContact O-N 3.45Å; N375-E379 PolarHBondContact O-N 3.11Å |
| 376 | T | 93 | Very high | 91.3 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 5% | 0.049 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | V308 I311 A372 I373 I374 A378 E379 F380 | V308-T376 WeakPolarHBondContact CG1-OG1 3.44Å; I311-T376 HydrophobicContact CB-CG2 4.34Å; I311-T376 HydrophobicContact CG2-CG2 3.68Å; A372-T376 WeakPolarHBondContact O-CB 3.32Å; A372-T376 PolarHBondContact O-N 2.93Å; A372-T376 PolarHBondContact O-OG1 2.65Å; I373-T376 WeakPolarHBondContact O-CB 3.45Å; I373-T376 PolarHBondContact O-N 3.06Å; I373-T376 VanDerWaalsContact O-N 3.14Å; I374-T376 VanDerWaalsContact C-N 3.34Å; I374-T376 PolarHBondContact O-N 3.22Å; T376-A378 VanDerWaalsContact C-N 3.26Å; T376-A378 PolarHBondContact O-N 2.7Å; T376-E379 PolarHBondContact O-N 3.48Å; T376-F380 HydrophobicContact CG2-CD2 4.15Å; T376-F380 HydrophobicContact CG2-CE2 4.05Å; T376-F380 VanDerWaalsContact O-CD2 3.3Å; T376-F380 WeakPolarHBondContact O-CD2 3.35Å; T376-F380 PolarHBondContact O-N 3.45Å |
| 377 | I | 92.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.3 | -38.9 | 174.2 | -71 | 175.1 | 0 | 0 | 0 | 111 | F331 L334 L335 I373 I374 F380 A381 T423 V427 | F331-I377 HydrophobicContact CD1-CG2 3.89Å; F331-I377 HydrophobicContact CE1-CB 4.39Å; F331-I377 HydrophobicContact CE1-CG2 3.44Å; F331-I377 VanDerWaalsContact CE1-CG2 3.44Å; F331-I377 HydrophobicContact CZ-CG2 4.33Å; L334-I377 HydrophobicContact CB-CD1 4.1Å; L334-I377 HydrophobicContact CB-CG1 4.23Å; L334-I377 HydrophobicContact CD1-CG1 3.95Å; L335-I377 HydrophobicContact CD2-CD1 3.99Å; I373-I377 HydrophobicContact CG2-CD1 3.86Å; I373-I377 HydrophobicContact CG2-CG1 4.36Å; I373-I377 WeakPolarHBondContact O-CG1 3.25Å; I373-I377 PolarHBondContact O-N 3.38Å; I374-I377 WeakPolarHBondContact O-CB 3.12Å; I374-I377 PolarHBondContact O-N 3.22Å; I377-F380 WeakPolarHBondContact O-CB 3.31Å; I377-F380 PolarHBondContact O-N 3.27Å; I377-A381 PolarHBondContact O-N 2.89Å; I377-T423 HydrophobicContact CB-CG2 4.45Å; I377-T423 HydrophobicContact CD1-CG2 3.85Å; I377-T423 HydrophobicContact CG2-CG2 3.81Å; I377-V427 HydrophobicContact CG2-CG2 3.69Å |
| 378 | A | 91.5 | Very high | 91.1 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 5% | 0.05 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.2 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I374 N375 T376 F380 A381 K382 T426 | I374-A378 PolarHBondContact O-N 3.17Å; N375-A378 WeakPolarHBondContact O-CB 2.93Å; N375-A378 PolarHBondContact O-N 3.45Å; T376-A378 VanDerWaalsContact C-N 3.26Å; T376-A378 PolarHBondContact O-N 2.7Å; A378-F380 VanDerWaalsContact C-N 3.29Å; A378-F380 PolarHBondContact O-N 3.17Å; A378-A381 WeakPolarHBondContact O-CB 3.24Å; A378-A381 PolarHBondContact O-N 3.27Å; A378-A381 VanDerWaalsContact O-N 3.1Å; A378-K382 PolarHBondContact O-N 3.47Å; A378-T426 HydrophobicContact CB-CG2 3.42Å; A378-T426 VanDerWaalsContact CB-CG2 3.42Å |
| 379 | E | 90.5 | Very high | 91.2 | Very high | 50 Ų | 50 | 27.8 Ų | 27.8 | 23% | 0.234 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.5 | -34.2 | 175.2 | -72.3 | -62.6 | 151.8 | 0 | 0 | 112 | V315 I316 N375 T376 K382 | V315-E379 HydrophobicContact CG1-CB 4.14Å; I316-E379 HydrophobicContact CD1-CG 4.17Å; I316-E379 HydrophobicContact CG1-CB 4.12Å; I316-E379 HydrophobicContact CG1-CG 3.85Å; N375-E379 PolarHBondContact O-N 3.11Å; T376-E379 PolarHBondContact O-N 3.48Å; E379-K382 IonicContact OE1-NZ 3.78Å; E379-K382 PolarHBondContact OE1-NZ 3.28Å; E379-K382 WeakPolarHBondContact OE2-CD 3.39Å; E379-K382 IonicContact OE2-NZ 3.64Å; E379-K382 PolarHBondContact OE2-NZ 3.33Å |
| 380 | F | 89.9 | Confident | 90.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.5 | -53.5 | 167 | -89 | -82.6 | 0 | 0 | 0 | 111 | V285 I311 V315 I323 N330 F331 L334 T376 I377 A378 K382 N383 L384 | V285-F380 HydrophobicContact CG1-CE1 3.62Å; V285-F380 HydrophobicContact CG1-CE2 4.29Å; V285-F380 HydrophobicContact CG1-CZ 3.19Å; I311-F380 HydrophobicContact CG2-CE2 4.27Å; V315-F380 HydrophobicContact CB-CD2 4.48Å; V315-F380 HydrophobicContact CG1-CB 4.2Å; V315-F380 HydrophobicContact CG1-CD1 4.05Å; V315-F380 HydrophobicContact CG1-CD2 3.96Å; V315-F380 HydrophobicContact CG1-CE2 4.48Å; V315-F380 HydrophobicContact CG1-CG 3.75Å; V315-F380 HydrophobicContact CG2-CD1 4.1Å; V315-F380 HydrophobicContact CG2-CD2 3.77Å; V315-F380 HydrophobicContact CG2-CE1 3.82Å; V315-F380 HydrophobicContact CG2-CE2 3.44Å; V315-F380 VanDerWaalsContact CG2-CE2 3.44Å; V315-F380 HydrophobicContact CG2-CG 4.1Å; V315-F380 HydrophobicContact CG2-CZ 3.51Å; I323-F380 HydrophobicContact CD1-CD1 4.09Å; I323-F380 WeakPolarHBondContact CD1-O 3.37Å; I323-F380 HydrophobicContact CG2-CD1 3.71Å; I323-F380 HydrophobicContact CG2-CE1 3.83Å; N330-F380 HydrophobicContact CB-CZ 4.28Å; F331-F380 HydrophobicContact CE2-CB 3.43Å; F331-F380 VanDerWaalsContact CE2-CB 3.43Å; F331-F380 AromaticContact CE2-CD1 3.91Å; F331-F380 HydrophobicContact CE2-CD1 3.91Å; F331-F380 HydrophobicContact CE2-CD2 4.37Å; F331-F380 AromaticContact CE2-CG 3.72Å; F331-F380 HydrophobicContact CE2-CG 3.72Å; F331-F380 HydrophobicContact CZ-CB 3.37Å; F331-F380 HydrophobicContact CZ-CG 4.13Å; L334-F380 HydrophobicContact CD1-CD2 4.43Å; L334-F380 HydrophobicContact CD1-CE2 3.89Å; T376-F380 HydrophobicContact CG2-CD2 4.15Å; T376-F380 HydrophobicContact CG2-CE2 4.05Å; T376-F380 VanDerWaalsContact O-CD2 3.3Å; T376-F380 WeakPolarHBondContact O-CD2 3.35Å; T376-F380 PolarHBondContact O-N 3.45Å; I377-F380 WeakPolarHBondContact O-CB 3.31Å; I377-F380 PolarHBondContact O-N 3.27Å; A378-F380 VanDerWaalsContact C-N 3.29Å; A378-F380 PolarHBondContact O-N 3.17Å; F380-K382 VanDerWaalsContact C-N 3.26Å; F380-K382 PolarHBondContact O-N 3.46Å; F380-N383 PolarHBondContact O-N 3.46Å; F380-L384 WeakPolarHBondContact O-CG 3.4Å; F380-L384 PolarHBondContact O-N 3.12Å |
| 381 | A | 90.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.5 | -41.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I377 A378 N383 L384 K389 V427 Q430 | I377-A381 PolarHBondContact O-N 2.89Å; A378-A381 WeakPolarHBondContact O-CB 3.24Å; A378-A381 PolarHBondContact O-N 3.27Å; A378-A381 VanDerWaalsContact O-N 3.1Å; A381-N383 PolarHBondContact O-N 3.4Å; A381-L384 WeakPolarHBondContact O-CB 3.41Å; A381-L384 PolarHBondContact O-N 2.77Å; A381-K389 WeakPolarHBondContact O-CE 3Å; A381-V427 HydrophobicContact CB-CB 4.38Å; A381-V427 HydrophobicContact CB-CG1 3.87Å; A381-V427 HydrophobicContact CB-CG2 4.19Å; A381-Q430 HydrophobicContact CB-CB 4.28Å; A381-Q430 HydrophobicContact CB-CG 4.31Å |
| 382 | K | 90.4 | Very high | 90.5 | Very high | 89 Ų | 89 | 30.3 Ų | 30.3 | 39% | 0.387 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -56.7 | -31.9 | 176 | -179 | 179.8 | 168.8 | -166.5 | 0 | 114.1 | A378 E379 F380 Q430 | A378-K382 PolarHBondContact O-N 3.47Å; E379-K382 IonicContact OE1-NZ 3.78Å; E379-K382 PolarHBondContact OE1-NZ 3.28Å; E379-K382 WeakPolarHBondContact OE2-CD 3.39Å; E379-K382 IonicContact OE2-NZ 3.64Å; E379-K382 PolarHBondContact OE2-NZ 3.33Å; F380-K382 VanDerWaalsContact C-N 3.26Å; F380-K382 PolarHBondContact O-N 3.46Å; K382-Q430 HydrophobicContact CB-CB 4.43Å; K382-Q430 HydrophobicContact CB-CG 4.27Å |
| 383 | N | 87.6 | Confident | 90.4 | Very high | 12 Ų | 12 | 29.5 Ų | 29.5 | 6% | 0.064 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -2.3 | 178.3 | -80.7 | -22.3 | 0 | 0 | 0 | 113.6 | V315 L318 G321 I323 F380 A381 | V315-N383 PolarHBondContact O-ND2 3.4Å; L318-N383 PolarHBondContact O-ND2 3.23Å; G321-N383 WeakPolarHBondContact CA-O 3.49Å; G321-N383 PolarHBondContact N-O 2.95Å; I323-N383 HydrophobicContact CD1-CB 3.42Å; I323-N383 VanDerWaalsContact CD1-CB 3.42Å; I323-N383 HydrophobicContact CG1-CB 4.02Å; F380-N383 PolarHBondContact O-N 3.46Å; A381-N383 PolarHBondContact O-N 3.4Å |
| 384 | L | 88.3 | Confident | 90 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -93.8 | 154.2 | 179 | -62.7 | 172.4 | 0 | 0 | 0 | 113 | I323 V327 F331 F380 A381 Q388 K389 I392 | I323-L384 HydrophobicContact CB-CD2 3.91Å; I323-L384 HydrophobicContact CD1-CD1 4.47Å; I323-L384 HydrophobicContact CD1-CD2 3.28Å; I323-L384 HydrophobicContact CD1-CG 3.53Å; I323-L384 HydrophobicContact CG1-CD2 3.98Å; I323-L384 HydrophobicContact CG2-CD2 4.33Å; V327-L384 HydrophobicContact CG2-CD1 3.98Å; V327-L384 HydrophobicContact CG2-CD2 3.98Å; F331-L384 HydrophobicContact CE2-CD1 4.39Å; F331-L384 HydrophobicContact CZ-CD1 4.34Å; F380-L384 WeakPolarHBondContact O-CG 3.4Å; F380-L384 PolarHBondContact O-N 3.12Å; A381-L384 WeakPolarHBondContact O-CB 3.41Å; A381-L384 PolarHBondContact O-N 2.77Å; L384-Q388 HydrophobicContact CB-CB 4.25Å; L384-K389 HydrophobicContact CB-CG 4.27Å; L384-K389 WeakPolarHBondContact O-CE 3.04Å; L384-I392 HydrophobicContact CD1-CD1 3.05Å; L384-I392 HydrophobicContact CD1-CG1 4.48Å |
| 385 | P | 88.5 | Confident | 89.8 | Confident | 55 Ų | 55 | 33.7 Ų | 33.7 | 36% | 0.357 | 17% | 0.172 | S | C | . | . | trans | -58.1 | 148.5 | 162.6 | -20.2 | 32.5 | 0 | 0 | 0 | 111.7 | T387 Q388 K389 | P385-T387 VanDerWaalsContact C-N 3.25Å; P385-T387 PolarHBondContact O-N 2.88Å; P385-Q388 PolarHBondContact O-N 3.32Å; P385-K389 PolarHBondContact O-N 3.43Å; P385-K389 VanDerWaalsContact O-N 3.17Å | ||
| 386 | D | 88.7 | Confident | 89.6 | Confident | 58 Ų | 58 | 31.9 Ų | 31.9 | 31% | 0.31 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58.9 | -34 | -176.9 | -71.1 | -25.6 | 0 | 0 | 0 | 113.4 | Q388 K389 I390 Y431 | D386-Q388 VanDerWaalsContact C-N 3.34Å; D386-Q388 PolarHBondContact O-N 3.29Å; D386-K389 WeakPolarHBondContact O-CB 3.4Å; D386-K389 PolarHBondContact O-N 3.02Å; D386-K389 IonicContact OD1-NZ 3.83Å; D386-K389 PolarHBondContact OD1-NZ 2.79Å; D386-I390 PolarHBondContact O-N 3.28Å; D386-Y431 HydrophobicContact CB-CD2 3.96Å; D386-Y431 HydrophobicContact CB-CE2 3.62Å; D386-Y431 WeakPolarHBondContact O-CE2 3.39Å |
| 387 | T | 86 | Confident | 89.2 | Confident | 107 Ų | 107 | 31.5 Ų | 31.5 | 66% | 0.656 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -60.1 | -42.1 | 174.3 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | P385 I390 E391 | P385-T387 VanDerWaalsContact C-N 3.25Å; P385-T387 PolarHBondContact O-N 2.88Å; T387-I390 PolarHBondContact O-N 2.7Å; T387-E391 PolarHBondContact O-N 3.49Å |
| 388 | Q | 88.2 | Confident | 88.8 | Confident | 74 Ų | 74 | 35.7 Ų | 35.7 | 35% | 0.346 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -73.1 | -29.9 | 178.7 | -68.8 | -177.7 | -5.2 | 0 | 0 | 112.4 | L384 P385 D386 I390 E391 I392 | L384-Q388 HydrophobicContact CB-CB 4.25Å; P385-Q388 PolarHBondContact O-N 3.32Å; D386-Q388 VanDerWaalsContact C-N 3.34Å; D386-Q388 PolarHBondContact O-N 3.29Å; Q388-I390 VanDerWaalsContact C-N 3.33Å; Q388-I390 PolarHBondContact O-N 3.5Å; Q388-E391 PolarHBondContact O-N 3.3Å; Q388-I392 WeakPolarHBondContact O-CG1 3.48Å; Q388-I392 PolarHBondContact O-N 3.38Å |
| 389 | K | 90.8 | Very high | 88.5 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 7% | 0.065 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 172.6 | -63.9 | 176.3 | -171.4 | 157.1 | 0 | 111.2 | A381 L384 P385 D386 I392 L393 Q430 Y431 | A381-K389 WeakPolarHBondContact O-CE 3Å; L384-K389 HydrophobicContact CB-CG 4.27Å; L384-K389 WeakPolarHBondContact O-CE 3.04Å; P385-K389 PolarHBondContact O-N 3.43Å; P385-K389 VanDerWaalsContact O-N 3.17Å; D386-K389 WeakPolarHBondContact O-CB 3.4Å; D386-K389 PolarHBondContact O-N 3.02Å; D386-K389 IonicContact OD1-NZ 3.83Å; D386-K389 PolarHBondContact OD1-NZ 2.79Å; K389-I392 WeakPolarHBondContact O-CB 3.39Å; K389-I392 PolarHBondContact O-N 3.48Å; K389-L393 WeakPolarHBondContact O-CG 3.24Å; K389-L393 PolarHBondContact O-N 3.19Å; K389-Q430 WeakPolarHBondContact CE-O 3.43Å; K389-Q430 PolarHBondContact NZ-O 3.49Å; K389-Y431 HydrophobicContact CB-CD2 4.14Å; K389-Y431 HydrophobicContact CD-CD2 4.29Å |
| 390 | I | 89.4 | Confident | 87.7 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 176.3 | -60 | -52.7 | 0 | 0 | 0 | 111.5 | D386 T387 Q388 I392 L393 K394 Y431 A439 L471 | D386-I390 PolarHBondContact O-N 3.28Å; T387-I390 PolarHBondContact O-N 2.7Å; Q388-I390 VanDerWaalsContact C-N 3.33Å; Q388-I390 PolarHBondContact O-N 3.5Å; I390-I392 VanDerWaalsContact C-N 3.29Å; I390-I392 PolarHBondContact O-N 2.84Å; I390-L393 HydrophobicContact CD1-CD1 3.9Å; I390-L393 PolarHBondContact O-N 3.23Å; I390-K394 WeakPolarHBondContact O-CG 3.3Å; I390-K394 PolarHBondContact O-N 3.07Å; I390-Y431 HydrophobicContact CD1-CD1 4.46Å; I390-Y431 HydrophobicContact CD1-CD2 3.62Å; I390-Y431 HydrophobicContact CD1-CE1 4.33Å; I390-Y431 HydrophobicContact CD1-CE2 3.46Å; I390-Y431 VanDerWaalsContact CD1-CE2 3.46Å; I390-Y431 HydrophobicContact CD1-CG 4.13Å; I390-Y431 HydrophobicContact CG1-CD2 3.98Å; I390-Y431 HydrophobicContact CG1-CE2 3.47Å; I390-Y431 VanDerWaalsContact CG1-CE2 3.47Å; I390-A439 HydrophobicContact CD1-CB 4.17Å; I390-L471 HydrophobicContact CD1-CD2 4.44Å |
| 391 | E | 88.3 | Confident | 86.7 | Confident | 87 Ų | 87 | 41.4 Ų | 41.4 | 41% | 0.407 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.2 | -34.3 | 174.1 | -65.3 | -55.2 | 126.2 | 0 | 0 | 112.4 | F328 T387 Q388 K394 F395 | F328-E391 HydrophobicContact CE1-CB 4.17Å; F328-E391 HydrophobicContact CZ-CB 3.91Å; T387-E391 PolarHBondContact O-N 3.49Å; Q388-E391 PolarHBondContact O-N 3.3Å; E391-K394 PolarHBondContact O-N 3.28Å; E391-K394 IonicContact OE1-NZ 2.62Å; E391-K394 PolarHBondContact OE1-NZ 3.48Å; E391-F395 VanDerWaalsContact O-CB 3.27Å; E391-F395 WeakPolarHBondContact O-CB 3.5Å; E391-F395 PolarHBondContact O-N 2.94Å |
| 392 | I | 89.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.2 | -41.5 | 172.1 | -72.8 | 162.3 | 0 | 0 | 0 | 111.9 | F328 F331 L384 Q388 K389 I390 K394 F395 I396 V427 | F328-I392 HydrophobicContact CE1-CG1 4.02Å; F331-I392 HydrophobicContact CD1-CD1 4.28Å; F331-I392 HydrophobicContact CD1-CG1 4.35Å; F331-I392 HydrophobicContact CD1-CG2 3.74Å; F331-I392 HydrophobicContact CD2-CD1 4.47Å; F331-I392 HydrophobicContact CE1-CB 4.49Å; F331-I392 HydrophobicContact CE1-CD1 3.74Å; F331-I392 HydrophobicContact CE1-CG1 4.21Å; F331-I392 HydrophobicContact CE1-CG2 3.51Å; F331-I392 HydrophobicContact CE2-CD1 3.94Å; F331-I392 HydrophobicContact CZ-CD1 3.54Å; F331-I392 HydrophobicContact CZ-CG1 4.44Å; F331-I392 HydrophobicContact CZ-CG2 4.4Å; L384-I392 HydrophobicContact CD1-CD1 3.05Å; L384-I392 HydrophobicContact CD1-CG1 4.48Å; Q388-I392 WeakPolarHBondContact O-CG1 3.48Å; Q388-I392 PolarHBondContact O-N 3.38Å; K389-I392 WeakPolarHBondContact O-CB 3.39Å; K389-I392 PolarHBondContact O-N 3.48Å; I390-I392 VanDerWaalsContact C-N 3.29Å; I390-I392 PolarHBondContact O-N 2.84Å; I392-K394 VanDerWaalsContact C-N 3.31Å; I392-K394 PolarHBondContact O-N 3.24Å; I392-F395 WeakPolarHBondContact O-CA 3.39Å; I392-F395 WeakPolarHBondContact O-CB 3.36Å; I392-F395 PolarHBondContact O-N 3.41Å; I392-F395 VanDerWaalsContact O-N 3.1Å; I392-I396 HydrophobicContact CG2-CD1 3.98Å; I392-I396 HydrophobicContact CG2-CG1 4.43Å; I392-I396 WeakPolarHBondContact O-CG1 3.44Å; I392-I396 PolarHBondContact O-N 2.89Å; I392-V427 HydrophobicContact CG2-CG1 3.98Å; I392-V427 HydrophobicContact CG2-CG2 4.31Å |
| 393 | L | 91.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.8 | -44 | 175.4 | -66.8 | 175.8 | 0 | 0 | 0 | 111.1 | K389 I390 F395 I396 L397 M424 V427 A428 F444 L471 | K389-L393 WeakPolarHBondContact O-CG 3.24Å; K389-L393 PolarHBondContact O-N 3.19Å; I390-L393 HydrophobicContact CD1-CD1 3.9Å; I390-L393 PolarHBondContact O-N 3.23Å; L393-F395 VanDerWaalsContact C-N 3.33Å; L393-I396 PolarHBondContact O-N 2.97Å; L393-L397 PolarHBondContact O-N 3.02Å; L393-L397 VanDerWaalsContact O-N 3.16Å; L393-M424 HydrophobicContact CB-CE 4.25Å; L393-M424 HydrophobicContact CD2-CB 4.41Å; L393-M424 HydrophobicContact CD2-CE 4.42Å; L393-M424 HydrophobicContact CD2-CG 3.51Å; L393-M424 WeakPolarHBondContact CD2-O 3.4Å; L393-V427 HydrophobicContact CD2-CB 3.79Å; L393-V427 HydrophobicContact CD2-CG1 3.6Å; L393-V427 HydrophobicContact CG-CG1 4.02Å; L393-A428 HydrophobicContact CD1-CB 4.31Å; L393-A428 HydrophobicContact CD2-CB 4.16Å; L393-F444 HydrophobicContact CB-CE2 4Å; L393-F444 HydrophobicContact CB-CZ 3.73Å; L393-F444 HydrophobicContact CD1-CZ 4.19Å; L393-L471 HydrophobicContact CD1-CD1 4.27Å; L393-L471 HydrophobicContact CD1-CD2 4.05Å |
| 394 | K | 87.7 | Confident | 83.6 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 17% | 0.165 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.4 | -39.6 | 172 | -68.8 | 174.1 | -174.9 | 168.7 | 0 | 112 | I390 E391 I392 L397 N398 N441 F444 | I390-K394 WeakPolarHBondContact O-CG 3.3Å; I390-K394 PolarHBondContact O-N 3.07Å; E391-K394 PolarHBondContact O-N 3.28Å; E391-K394 IonicContact OE1-NZ 2.62Å; E391-K394 PolarHBondContact OE1-NZ 3.48Å; I392-K394 VanDerWaalsContact C-N 3.31Å; I392-K394 PolarHBondContact O-N 3.24Å; K394-L397 PolarHBondContact O-N 3.33Å; K394-N398 WeakPolarHBondContact O-CB 3.31Å; K394-N398 PolarHBondContact O-N 3.26Å; K394-N398 PolarHBondContact O-ND2 2.76Å; K394-N441 PolarHBondContact NZ-ND2 3.26Å; K394-N441 VanDerWaalsContact NZ-ND2 3.1Å; K394-F444 HydrophobicContact CG-CB 4.16Å; K394-F444 HydrophobicContact CG-CD2 3.77Å; K394-F444 HydrophobicContact CG-CE2 4.42Å; K394-F444 HydrophobicContact CG-CG 4.1Å |
| 395 | F | 88.9 | Confident | 82.5 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 24% | 0.237 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 178.1 | -178.6 | -99.2 | 0 | 0 | 0 | 112 | F328 K332 L335 E391 I392 L393 N398 F399 | F328-F395 HydrophobicContact CD1-CD2 4.5Å; F328-F395 HydrophobicContact CD1-CG 4.49Å; K332-F395 HydrophobicContact CB-CE1 4.12Å; K332-F395 HydrophobicContact CB-CZ 3.69Å; K332-F395 HydrophobicContact CD-CZ 4.25Å; K332-F395 HydrophobicContact CG-CZ 3.92Å; L335-F395 HydrophobicContact CD1-CD1 4.07Å; L335-F395 HydrophobicContact CD1-CE1 3.84Å; E391-F395 VanDerWaalsContact O-CB 3.27Å; E391-F395 WeakPolarHBondContact O-CB 3.5Å; E391-F395 PolarHBondContact O-N 2.94Å; I392-F395 WeakPolarHBondContact O-CA 3.39Å; I392-F395 WeakPolarHBondContact O-CB 3.36Å; I392-F395 PolarHBondContact O-N 3.41Å; I392-F395 VanDerWaalsContact O-N 3.1Å; L393-F395 VanDerWaalsContact C-N 3.33Å; F395-N398 CarbonylContact O-C 3.56Å; F395-N398 PolarHBondContact O-N 2.78Å; F395-F399 PolarHBondContact O-N 3.33Å; F395-F399 VanDerWaalsContact O-N 3.14Å |
| 396 | I | 89.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 176.6 | -64.9 | 163.6 | 0 | 0 | 0 | 110.9 | L335 I392 L393 N398 F399 L420 T423 M424 V427 | L335-I396 HydrophobicContact CD1-CG1 4.06Å; I392-I396 HydrophobicContact CG2-CD1 3.98Å; I392-I396 HydrophobicContact CG2-CG1 4.43Å; I392-I396 WeakPolarHBondContact O-CG1 3.44Å; I392-I396 PolarHBondContact O-N 2.89Å; L393-I396 PolarHBondContact O-N 2.97Å; I396-N398 PolarHBondContact O-N 3.42Å; I396-F399 WeakPolarHBondContact O-CB 3.45Å; I396-F399 PolarHBondContact O-N 3.27Å; I396-L420 HydrophobicContact CG2-CB 4.2Å; I396-L420 HydrophobicContact CG2-CD2 4.36Å; I396-L420 WeakPolarHBondContact CG2-O 3.42Å; I396-T423 HydrophobicContact CD1-CG2 4.08Å; I396-M424 HydrophobicContact CD1-CB 4.4Å; I396-M424 HydrophobicContact CG2-CB 4.08Å; I396-V427 HydrophobicContact CD1-CG2 4.13Å |
| 397 | L | 84 | Confident | 79.9 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.7 | -26.8 | 175.5 | -71.2 | -176.3 | 0 | 0 | 0 | 113 | L393 K394 F399 M402 M424 F444 L447 L448 | L393-L397 PolarHBondContact O-N 3.02Å; L393-L397 VanDerWaalsContact O-N 3.16Å; K394-L397 PolarHBondContact O-N 3.33Å; L397-F399 VanDerWaalsContact C-N 3.31Å; L397-M402 HydrophobicContact CD2-CE 3.44Å; L397-M402 VanDerWaalsContact CD2-CE 3.44Å; L397-M402 HydrophobicContact CD2-SD 4.21Å; L397-M402 CarbonylContact O-C 3.58Å; L397-M402 WeakPolarHBondContact O-CB 3.36Å; L397-M424 HydrophobicContact CD1-CE 3.84Å; L397-M424 HydrophobicContact CD1-SD 4.26Å; L397-M424 HydrophobicContact CD2-CE 4.17Å; L397-M424 HydrophobicContact CD2-SD 3.5Å; L397-M424 WeakPolarHBondContact CD2-SD 3.47Å; L397-M424 HydrophobicContact CG-CE 3.87Å; L397-M424 HydrophobicContact CG-SD 3.68Å; L397-F444 HydrophobicContact CD1-CD2 3.64Å; L397-F444 HydrophobicContact CD1-CE2 3.35Å; L397-F444 HydrophobicContact CD1-CZ 4.47Å; L397-F444 HydrophobicContact CG-CE2 4.23Å; L397-L447 HydrophobicContact CB-CD2 3.39Å; L397-L447 HydrophobicContact CB-CG 4.06Å; L397-L447 HydrophobicContact CD1-CB 4.26Å; L397-L447 HydrophobicContact CD1-CD2 3.82Å; L397-L447 HydrophobicContact CD1-CG 3.91Å; L397-L447 HydrophobicContact CG-CD2 4.25Å; L397-L448 HydrophobicContact CD1-CD1 4.46Å |
| 398 | N | 84.2 | Confident | 78.6 | Confident | 88 Ų | 88 | 45.4 Ų | 45.4 | 47% | 0.471 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 14 | 174.1 | -71.1 | -64.2 | 0 | 0 | 0 | 113.4 | K394 F395 I396 V403 | K394-N398 WeakPolarHBondContact O-CB 3.31Å; K394-N398 PolarHBondContact O-N 3.26Å; K394-N398 PolarHBondContact O-ND2 2.76Å; F395-N398 CarbonylContact O-C 3.56Å; F395-N398 PolarHBondContact O-N 2.78Å; I396-N398 PolarHBondContact O-N 3.42Å; N398-V403 VanDerWaalsContact CA-CG2 3.41Å; N398-V403 HydrophobicContact CB-CG2 4.05Å; N398-V403 WeakPolarHBondContact O-CG2 3.43Å |
| 399 | F | 85.3 | Confident | 76.8 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -86.5 | 130.6 | 175.7 | -169 | -96.8 | 0 | 0 | 0 | 110.4 | L335 Q336 K339 F395 I396 L397 M402 L420 | L335-F399 HydrophobicContact CB-CD2 4.02Å; L335-F399 HydrophobicContact CB-CE1 4.2Å; L335-F399 HydrophobicContact CB-CE2 3.59Å; L335-F399 HydrophobicContact CB-CG 4.49Å; L335-F399 HydrophobicContact CB-CZ 3.69Å; L335-F399 HydrophobicContact CD1-CB 4.48Å; L335-F399 HydrophobicContact CD1-CD2 3.85Å; L335-F399 HydrophobicContact CD1-CE2 4.28Å; L335-F399 HydrophobicContact CD1-CG 4.16Å; Q336-F399 HydrophobicContact CG-CE2 4.16Å; Q336-F399 HydrophobicContact CG-CZ 3.97Å; K339-F399 HydrophobicContact CB-CE1 4.37Å; K339-F399 HydrophobicContact CD-CE1 4.09Å; F395-F399 PolarHBondContact O-N 3.33Å; F395-F399 VanDerWaalsContact O-N 3.14Å; I396-F399 WeakPolarHBondContact O-CB 3.45Å; I396-F399 PolarHBondContact O-N 3.27Å; L397-F399 VanDerWaalsContact C-N 3.31Å; F399-M402 WeakPolarHBondContact O-CA 3.47Å; F399-M402 WeakPolarHBondContact O-CB 3.41Å; F399-M402 PolarHBondContact O-N 3.29Å; F399-L420 HydrophobicContact CD1-CD1 3.97Å; F399-L420 HydrophobicContact CD1-CD2 3.91Å; F399-L420 HydrophobicContact CE1-CD2 4.46Å |
| 400 | E | 73.1 | Confident | 75.2 | Confident | 124 Ų | 124 | 51.8 Ų | 51.8 | 58% | 0.579 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 126.3 | -179.5 | -72 | -176.2 | 172.7 | 0 | 0 | 112.1 | K339 | K339-E400 PolarHBondContact NZ-O 3.46Š|
| 401 | P | 69.1 | Low | 73.8 | Confident | 32 Ų | 32 | 59.5 Ų | 59.5 | 21% | 0.208 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -102.4 | 8 | 18.3 | 38.6 | -36.9 | 0 | 0 | 0 | 115.8 | V403 N404 Y405 P413 L416 | P401-V403 PolarHBondContact O-N 3.4Å; P401-N404 CarbonylContact O-C 3.47Å; P401-N404 PolarHBondContact O-N 3.47Å; P401-Y405 PolarHBondContact O-N 3.39Å; P401-P413 HydrophobicContact CG-CG 3.55Å; P401-L416 HydrophobicContact CG-CD2 4.07Å |
| 402 | M | 73 | Confident | 73 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -57.1 | -32.5 | -177.5 | -68.1 | -161.7 | 76.5 | 0 | 0 | 113.5 | L397 F399 N404 Y405 L420 L421 V452 | L397-M402 HydrophobicContact CD2-CE 3.44Å; L397-M402 VanDerWaalsContact CD2-CE 3.44Å; L397-M402 HydrophobicContact CD2-SD 4.21Å; L397-M402 CarbonylContact O-C 3.58Å; L397-M402 WeakPolarHBondContact O-CB 3.36Å; F399-M402 WeakPolarHBondContact O-CA 3.47Å; F399-M402 WeakPolarHBondContact O-CB 3.41Å; F399-M402 PolarHBondContact O-N 3.29Å; M402-N404 VanDerWaalsContact C-N 3.27Å; M402-N404 PolarHBondContact O-N 3.05Å; M402-Y405 WeakPolarHBondContact O-CB 3.32Å; M402-Y405 PolarHBondContact O-N 3.35Å; M402-L420 HydrophobicContact CG-CB 4.48Å; M402-L420 HydrophobicContact CG-CD1 3.69Å; M402-L420 HydrophobicContact SD-CB 3.65Å; M402-L420 HydrophobicContact SD-CD1 3.93Å; M402-L420 HydrophobicContact SD-CG 4.43Å; M402-L421 HydrophobicContact CE-CD2 3.8Å; M402-L421 HydrophobicContact CE-CG 4.13Å; M402-V452 HydrophobicContact CE-CG2 3.75Å |
| 403 | V | 67.7 | Low | 72.4 | Confident | 66 Ų | 66 | 61.3 Ų | 61.3 | 40% | 0.4 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -56.7 | -42.1 | 173.8 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | N398 P401 | N398-V403 VanDerWaalsContact CA-CG2 3.41Å; N398-V403 HydrophobicContact CB-CG2 4.05Å; N398-V403 WeakPolarHBondContact O-CG2 3.43Å; P401-V403 PolarHBondContact O-N 3.4Å |
| 404 | N | 64.3 | Low | 71.9 | Confident | 122 Ų | 122 | 63.8 Ų | 63.8 | 65% | 0.652 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -102.3 | 15.5 | -176.1 | -60.6 | -36.8 | 0 | 0 | 0 | 111.1 | P401 M402 H406 | P401-N404 CarbonylContact O-C 3.47Å; P401-N404 PolarHBondContact O-N 3.47Å; M402-N404 VanDerWaalsContact C-N 3.27Å; M402-N404 PolarHBondContact O-N 3.05Å; N404-H406 PolarHBondContact O-N 3.3Å; N404-H406 VanDerWaalsContact O-N 3.15Å |
| 405 | Y | 64.8 | Low | 71.8 | Confident | 29 Ų | 29 | 65 Ų | 65 | 11% | 0.114 | 34% | 0.341 | C | S | . | . | trans | -65.1 | 117.5 | 179.6 | 173.6 | -92.1 | 0 | 0 | 0 | 108.5 | P401 M402 P407 R412 I417 G451 V452 D455 | P401-Y405 PolarHBondContact O-N 3.39Å; M402-Y405 WeakPolarHBondContact O-CB 3.32Å; M402-Y405 PolarHBondContact O-N 3.35Å; Y405-P407 HydrophobicContact CE1-CB 4.05Å; Y405-P407 HydrophobicContact CE1-CG 4.34Å; Y405-P407 WeakPolarHBondContact OH-CA 3.45Å; Y405-R412 HydrophobicContact CE2-CG 4.3Å; Y405-I417 HydrophobicContact CD2-CD1 3.51Å; Y405-I417 HydrophobicContact CD2-CG1 4.3Å; Y405-I417 HydrophobicContact CE2-CD1 3.58Å; Y405-G451 VanDerWaalsContact CE1-O 3.24Å; Y405-G451 WeakPolarHBondContact CE1-O 3.38Å; Y405-V452 HydrophobicContact CD1-CG2 4.39Å; Y405-D455 VanDerWaalsContact CZ-OD2 3.29Å; Y405-D455 VanDerWaalsContact OH-CB 3.25Å; Y405-D455 WeakPolarHBondContact OH-CB 3.4Å; Y405-D455 PolarHBondContact OH-OD2 2.98Å | ||
| 406 | H | 62.7 | Low | 71.6 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | trans | -121 | 121.6 | 171.2 | -172.2 | -59.6 | 0 | 0 | 0 | 108.7 | N404 E408 Y409 Y679 | N404-H406 PolarHBondContact O-N 3.3Å; N404-H406 VanDerWaalsContact O-N 3.15Å; H406-E408 PolarHBondContact ND1-N 3.25Å; H406-E408 VanDerWaalsContact ND1-N 3.11Å; H406-E408 PolarHBondContact O-N 2.91Å; H406-Y409 VanDerWaalsContact CB-O 3.31Å; H406-Y409 WeakPolarHBondContact CB-O 3.46Å; H406-Y409 AromaticContact CE1-CD2 3.2Å; H406-Y409 WeakPolarHBondContact CE1-CD2 3.41Å; H406-Y409 AromaticContact CE1-CE2 3.76Å; H406-Y409 AromaticContact ND1-CD2 3.45Å; H406-Y409 WeakPolarHBondContact ND1-CD2 3.41Å; H406-Y409 AromaticContact ND1-CG 4Å; H406-Y409 PolarHBondContact ND1-N 3.26Å; H406-Y409 VanDerWaalsContact ND1-N 3.16Å; H406-Y409 AromaticContact NE2-CD2 3.68Å; H406-Y409 PolarHBondContact O-N 2.74Å; H406-Y409 VanDerWaalsContact O-O 3.05Å; H406-Y679 AromaticContact CE1-CD1 3.89Å; H406-Y679 AromaticContact NE2-CD1 3.74Å | ||
| 407 | P | 60.4 | Low | 71.5 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 12% | 0.117 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -62.4 | -29 | -172.9 | 17.5 | -26.5 | 0 | 0 | 0 | 113.4 | Y405 I454 Y679 | Y405-P407 HydrophobicContact CE1-CB 4.05Å; Y405-P407 HydrophobicContact CE1-CG 4.34Å; Y405-P407 WeakPolarHBondContact OH-CA 3.45Å; P407-I454 HydrophobicContact CG-CD1 3.79Å; P407-I454 HydrophobicContact CG-CG1 4.25Å; P407-Y679 HydrophobicContact CG-CE1 4.13Å |
| 408 | E | 57.6 | Low | 71.7 | Confident | 114 Ų | 114 | 63.4 Ų | 63.4 | 53% | 0.533 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -104.5 | -9.6 | -179.8 | -54.5 | -175.1 | 159.9 | 0 | 0 | 115.3 | H406 | H406-E408 PolarHBondContact ND1-N 3.25Å; H406-E408 VanDerWaalsContact ND1-N 3.11Å; H406-E408 PolarHBondContact O-N 2.91Å |
| 409 | Y | 51.3 | Low | 72 | Confident | 155 Ų | 155 | 59.7 Ų | 59.7 | 61% | 0.608 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -142.5 | 135.7 | -171.8 | -60.8 | -66 | 0 | 0 | 0 | 111.5 | H406 | H406-Y409 VanDerWaalsContact CB-O 3.31Å; H406-Y409 WeakPolarHBondContact CB-O 3.46Å; H406-Y409 AromaticContact CE1-CD2 3.2Å; H406-Y409 WeakPolarHBondContact CE1-CD2 3.41Å; H406-Y409 AromaticContact CE1-CE2 3.76Å; H406-Y409 AromaticContact ND1-CD2 3.45Å; H406-Y409 WeakPolarHBondContact ND1-CD2 3.41Å; H406-Y409 AromaticContact ND1-CG 4Å; H406-Y409 PolarHBondContact ND1-N 3.26Å; H406-Y409 VanDerWaalsContact ND1-N 3.16Å; H406-Y409 AromaticContact NE2-CD2 3.68Å; H406-Y409 PolarHBondContact O-N 2.74Å; H406-Y409 VanDerWaalsContact O-O 3.05Å |
| 410 | G | 55.8 | Low | 72.3 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 71% | 0.711 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 105.1 | 160.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R412 | G410-R412 PolarHBondContact O-N 3.2Š|
| 411 | D | 61.5 | Low | 73.2 | Confident | 167 Ų | 167 | 52.9 Ų | 52.9 | 89% | 0.893 | 28% | 0.283 | S | S | * | . | trans | -63.3 | 111.4 | 173.1 | -72.9 | -31.4 | 0 | 0 | 0 | 108.1 | P413 | D411-P413 WeakPolarHBondContact O-CD 3.4Š| ||
| 412 | R | 70 | Confident | 74.3 | Confident | 82 Ų | 82 | 52 Ų | 52 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | trans | -90.6 | 96.2 | 176.3 | -179 | 179.6 | 177.1 | -130.8 | -8.8 | 108.1 | Y405 G410 K414 I417 D455 D457 | Y405-R412 HydrophobicContact CE2-CG 4.3Å; G410-R412 PolarHBondContact O-N 3.2Å; R412-K414 PolarHBondContact O-N 2.82Å; R412-I417 HydrophobicContact CG-CD1 3.64Å; R412-D455 IonicContact CZ-OD1 2.9Å; R412-D455 IonicContact CZ-OD2 3.35Å; R412-D455 IonicContact NE-OD1 3.34Å; R412-D455 IonicContact NE-OD2 2.89Å; R412-D455 PolarHBondContact NE-OD2 2.91Å; R412-D455 IonicContact NH1-OD1 2.77Å; R412-D455 IonicContact NH2-OD1 2.66Å; R412-D455 PolarHBondContact NH2-OD1 3.24Å; R412-D455 IonicContact NH2-OD2 3.4Å; R412-D455 PolarHBondContact NH2-OD2 3.27Å; R412-D457 IonicContact NH2-OD2 3.31Å | ||
| 413 | P | 78.7 | Confident | 75.3 | Confident | 43 Ų | 43 | 51.7 Ų | 51.7 | 28% | 0.279 | 28% | 0.275 | S | S | . | . | trans | -74.8 | 76 | 171.3 | 31.7 | -33.9 | 0 | 0 | 0 | 108 | P401 D411 P415 L416 I417 | P401-P413 HydrophobicContact CG-CG 3.55Å; D411-P413 WeakPolarHBondContact O-CD 3.4Å; P413-P415 VanDerWaalsContact C-N 3.25Å; P413-P415 VanDerWaalsContact O-N 3.16Å; P413-L416 HydrophobicContact CB-CB 4Å; P413-L416 HydrophobicContact CG-CB 4.16Å; P413-L416 HydrophobicContact CG-CD2 4.22Å; P413-L416 WeakPolarHBondContact O-CA 3.34Å; P413-L416 WeakPolarHBondContact O-CB 3.35Å; P413-L416 PolarHBondContact O-N 3.12Å; P413-I417 PolarHBondContact O-N 3.49Å | ||
| 414 | K | 80.4 | Confident | 76.5 | Confident | 52 Ų | 52 | 48.5 Ų | 48.5 | 23% | 0.226 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -45.1 | -45.8 | -178.9 | 170.9 | 177.7 | 166.2 | 173.2 | 0 | 111.8 | R412 L416 I417 M418 D457 D844 | R412-K414 PolarHBondContact O-N 2.82Å; K414-L416 VanDerWaalsContact C-N 3.34Å; K414-L416 PolarHBondContact O-N 3.41Å; K414-I417 PolarHBondContact O-N 3.26Å; K414-M418 HydrophobicContact CD-SD 4.42Å; K414-M418 HydrophobicContact CG-CG 4.32Å; K414-M418 HydrophobicContact CG-SD 3.85Å; K414-M418 WeakPolarHBondContact O-CB 3.5Å; K414-M418 VanDerWaalsContact O-CG 3.28Å; K414-M418 WeakPolarHBondContact O-CG 3.44Å; K414-M418 PolarHBondContact O-N 2.58Å; K414-D457 WeakPolarHBondContact CD-OD2 3.4Å; K414-D457 WeakPolarHBondContact CE-OD2 3.49Å; K414-D457 IonicContact NZ-OD2 3.17Å; K414-D457 PolarHBondContact NZ-OD2 2.91Å; K414-D844 IonicContact NZ-OD1 3.35Å |
| 415 | P | 84.7 | Confident | 78 | Confident | 65 Ų | 65 | 44.3 Ų | 44.3 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.7 | -42.4 | 176.8 | -26.1 | 36.2 | 0 | 0 | 0 | 113.7 | I342 P413 V419 | I342-P415 HydrophobicContact CG2-CB 3.66Å; P413-P415 VanDerWaalsContact C-N 3.25Å; P413-P415 VanDerWaalsContact O-N 3.16Å; P415-V419 WeakPolarHBondContact O-CG2 3.39Å; P415-V419 PolarHBondContact O-N 3.12Å; P415-V419 VanDerWaalsContact O-N 3.07Å |
| 416 | L | 85.9 | Confident | 79.4 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.9 | -45.1 | 179.3 | 179.8 | 59.1 | 0 | 0 | 0 | 111.7 | K339 I342 P401 P413 K414 M418 V419 L420 | K339-L416 HydrophobicContact CB-CD1 3.93Å; K339-L416 HydrophobicContact CD-CD2 3.98Å; K339-L416 HydrophobicContact CG-CD1 3.99Å; K339-L416 HydrophobicContact CG-CD2 3.9Å; I342-L416 HydrophobicContact CD1-CD1 3.72Å; I342-L416 HydrophobicContact CG2-CB 4.31Å; P401-L416 HydrophobicContact CG-CD2 4.07Å; P413-L416 HydrophobicContact CB-CB 4Å; P413-L416 HydrophobicContact CG-CB 4.16Å; P413-L416 HydrophobicContact CG-CD2 4.22Å; P413-L416 WeakPolarHBondContact O-CA 3.34Å; P413-L416 WeakPolarHBondContact O-CB 3.35Å; P413-L416 PolarHBondContact O-N 3.12Å; K414-L416 VanDerWaalsContact C-N 3.34Å; K414-L416 PolarHBondContact O-N 3.41Å; L416-M418 VanDerWaalsContact C-N 3.33Å; L416-M418 PolarHBondContact O-N 2.9Å; L416-V419 PolarHBondContact O-N 3.29Å; L416-L420 HydrophobicContact CD1-CD1 4.05Å; L416-L420 HydrophobicContact CD1-CG 4.08Å; L416-L420 HydrophobicContact CG-CD1 3.99Å; L416-L420 HydrophobicContact CG-CG 4.43Å; L416-L420 WeakPolarHBondContact O-CB 3.36Å; L416-L420 VanDerWaalsContact O-CG 3.26Å; L416-L420 WeakPolarHBondContact O-CG 3.34Å; L416-L420 PolarHBondContact O-N 2.91Å |
| 417 | I | 86.7 | Confident | 80.8 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 178.5 | -62.7 | 160.1 | 0 | 0 | 0 | 110.2 | Y405 R412 P413 K414 V419 L420 L421 I460 | Y405-I417 HydrophobicContact CD2-CD1 3.51Å; Y405-I417 HydrophobicContact CD2-CG1 4.3Å; Y405-I417 HydrophobicContact CE2-CD1 3.58Å; R412-I417 HydrophobicContact CG-CD1 3.64Å; P413-I417 PolarHBondContact O-N 3.49Å; K414-I417 PolarHBondContact O-N 3.26Å; I417-V419 PolarHBondContact O-N 2.87Å; I417-L420 PolarHBondContact O-N 3Å; I417-L421 HydrophobicContact CG2-CD1 3.9Å; I417-L421 HydrophobicContact CG2-CG 4.38Å; I417-L421 WeakPolarHBondContact O-CB 2.93Å; I417-L421 VanDerWaalsContact O-CG 3.32Å; I417-L421 WeakPolarHBondContact O-CG 3.38Å; I417-L421 PolarHBondContact O-N 2.76Å; I417-I460 HydrophobicContact CB-CD1 4.26Å; I417-I460 HydrophobicContact CG2-CD1 3.7Å |
| 418 | M | 88.2 | Confident | 82.5 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 178.4 | -72.2 | -178.2 | 66 | 0 | 0 | 112 | K414 L416 L421 Q422 V459 I460 I840 | K414-M418 HydrophobicContact CD-SD 4.42Å; K414-M418 HydrophobicContact CG-CG 4.32Å; K414-M418 HydrophobicContact CG-SD 3.85Å; K414-M418 WeakPolarHBondContact O-CB 3.5Å; K414-M418 VanDerWaalsContact O-CG 3.28Å; K414-M418 WeakPolarHBondContact O-CG 3.44Å; K414-M418 PolarHBondContact O-N 2.58Å; L416-M418 VanDerWaalsContact C-N 3.33Å; L416-M418 PolarHBondContact O-N 2.9Å; M418-L421 PolarHBondContact O-N 2.86Å; M418-Q422 WeakPolarHBondContact O-CB 3.43Å; M418-Q422 VanDerWaalsContact O-CG 3.23Å; M418-Q422 WeakPolarHBondContact O-CG 3.47Å; M418-Q422 PolarHBondContact O-N 3.25Å; M418-V459 HydrophobicContact CE-CG1 3.72Å; M418-I460 HydrophobicContact CG-CD1 4.02Å; M418-I460 HydrophobicContact CG-CG1 4.17Å; M418-I840 HydrophobicContact CE-CD1 3.83Å; M418-I840 HydrophobicContact CE-CG2 3.65Å |
| 419 | V | 90.2 | Very high | 84.2 | Confident | 11 Ų | 11 | 38.6 Ų | 38.6 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.6 | -38 | 178.7 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | L338 I342 I374 P415 L416 I417 Q422 T423 | L338-V419 HydrophobicContact CD1-CG1 3.84Å; L338-V419 HydrophobicContact CD2-CG1 3.46Å; L338-V419 VanDerWaalsContact CD2-CG1 3.46Å; L338-V419 HydrophobicContact CG-CG1 3.63Å; I342-V419 HydrophobicContact CD1-CB 3.53Å; I342-V419 HydrophobicContact CD1-CG1 3.64Å; I342-V419 HydrophobicContact CD1-CG2 3.71Å; I342-V419 HydrophobicContact CG1-CG2 4.23Å; I374-V419 HydrophobicContact CD1-CG1 4.13Å; P415-V419 WeakPolarHBondContact O-CG2 3.39Å; P415-V419 PolarHBondContact O-N 3.12Å; P415-V419 VanDerWaalsContact O-N 3.07Å; L416-V419 PolarHBondContact O-N 3.29Å; I417-V419 PolarHBondContact O-N 2.87Å; V419-Q422 PolarHBondContact O-N 3.49Å; V419-T423 WeakPolarHBondContact O-CB 3.36Å; V419-T423 PolarHBondContact O-N 3.05Å; V419-T423 PolarHBondContact O-OG1 3.42Å |
| 420 | L | 91.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.2 | -42.7 | 175.2 | -69.8 | 173.3 | 0 | 0 | 0 | 111.6 | L335 I396 F399 M402 L416 I417 T423 M424 | L335-L420 HydrophobicContact CD2-CD2 3.98Å; I396-L420 HydrophobicContact CG2-CB 4.2Å; I396-L420 HydrophobicContact CG2-CD2 4.36Å; I396-L420 WeakPolarHBondContact CG2-O 3.42Å; F399-L420 HydrophobicContact CD1-CD1 3.97Å; F399-L420 HydrophobicContact CD1-CD2 3.91Å; F399-L420 HydrophobicContact CE1-CD2 4.46Å; M402-L420 HydrophobicContact CG-CB 4.48Å; M402-L420 HydrophobicContact CG-CD1 3.69Å; M402-L420 HydrophobicContact SD-CB 3.65Å; M402-L420 HydrophobicContact SD-CD1 3.93Å; M402-L420 HydrophobicContact SD-CG 4.43Å; L416-L420 HydrophobicContact CD1-CD1 4.05Å; L416-L420 HydrophobicContact CD1-CG 4.08Å; L416-L420 HydrophobicContact CG-CD1 3.99Å; L416-L420 HydrophobicContact CG-CG 4.43Å; L416-L420 WeakPolarHBondContact O-CB 3.36Å; L416-L420 VanDerWaalsContact O-CG 3.26Å; L416-L420 WeakPolarHBondContact O-CG 3.34Å; L416-L420 PolarHBondContact O-N 2.91Å; I417-L420 PolarHBondContact O-N 3Å; L420-T423 WeakPolarHBondContact O-CB 3.43Å; L420-T423 PolarHBondContact O-N 3.41Å; L420-M424 WeakPolarHBondContact O-CB 3.46Å; L420-M424 PolarHBondContact O-N 3.38Å |
| 421 | L | 91.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.5 | -37.2 | 174.9 | -71.8 | 171.4 | 0 | 0 | 0 | 112.6 | M402 I417 M418 M424 L425 V452 I460 I463 V464 I467 | M402-L421 HydrophobicContact CE-CD2 3.8Å; M402-L421 HydrophobicContact CE-CG 4.13Å; I417-L421 HydrophobicContact CG2-CD1 3.9Å; I417-L421 HydrophobicContact CG2-CG 4.38Å; I417-L421 WeakPolarHBondContact O-CB 2.93Å; I417-L421 VanDerWaalsContact O-CG 3.32Å; I417-L421 WeakPolarHBondContact O-CG 3.38Å; I417-L421 PolarHBondContact O-N 2.76Å; M418-L421 PolarHBondContact O-N 2.86Å; L421-M424 HydrophobicContact CD2-SD 4.41Å; L421-M424 WeakPolarHBondContact O-CB 3.21Å; L421-M424 PolarHBondContact O-N 3.46Å; L421-L425 WeakPolarHBondContact O-CB 3.25Å; L421-L425 PolarHBondContact O-N 3.46Å; L421-V452 HydrophobicContact CD1-CG1 3.79Å; L421-V452 HydrophobicContact CD2-CG1 4.13Å; L421-V452 HydrophobicContact CG-CG1 4.48Å; L421-I460 HydrophobicContact CD1-CG2 3.65Å; L421-I463 HydrophobicContact CB-CB 4.45Å; L421-I463 HydrophobicContact CB-CG2 3.68Å; L421-V464 HydrophobicContact CD2-CG2 4.26Å; L421-I467 HydrophobicContact CD2-CD1 4.14Å |
| 422 | Q | 92.7 | Very high | 89.2 | Confident | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.056 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 172.1 | -75.2 | 172.4 | -15.9 | 0 | 0 | 111 | M418 V419 M424 L425 T426 I463 | M418-Q422 WeakPolarHBondContact O-CB 3.43Å; M418-Q422 VanDerWaalsContact O-CG 3.23Å; M418-Q422 WeakPolarHBondContact O-CG 3.47Å; M418-Q422 PolarHBondContact O-N 3.25Å; V419-Q422 PolarHBondContact O-N 3.49Å; Q422-M424 VanDerWaalsContact C-N 3.27Å; Q422-M424 PolarHBondContact O-N 3.27Å; Q422-L425 PolarHBondContact O-N 3.12Å; Q422-T426 PolarHBondContact O-N 3.31Å; Q422-T426 PolarHBondContact O-OG1 3.41Å; Q422-I463 HydrophobicContact CG-CD1 4.38Å |
| 423 | T | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.2 | -45 | 174 | -53.2 | 0 | 0 | 0 | 0 | 110.7 | L335 I377 I396 V419 L420 T426 V427 | L335-T423 HydrophobicContact CD2-CG2 4.1Å; I377-T423 HydrophobicContact CB-CG2 4.45Å; I377-T423 HydrophobicContact CD1-CG2 3.85Å; I377-T423 HydrophobicContact CG2-CG2 3.81Å; I396-T423 HydrophobicContact CD1-CG2 4.08Å; V419-T423 WeakPolarHBondContact O-CB 3.36Å; V419-T423 PolarHBondContact O-N 3.05Å; V419-T423 PolarHBondContact O-OG1 3.42Å; L420-T423 WeakPolarHBondContact O-CB 3.43Å; L420-T423 PolarHBondContact O-N 3.41Å; T423-T426 PolarHBondContact O-N 2.86Å; T423-V427 WeakPolarHBondContact O-CG2 3.45Å; T423-V427 PolarHBondContact O-N 3.04Å |
| 424 | M | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.4 | -45 | 176.9 | -172.5 | -174.3 | 171.5 | 0 | 0 | 112.1 | L393 I396 L397 L420 L421 Q422 V427 A428 F444 L448 I467 | L393-M424 HydrophobicContact CB-CE 4.25Å; L393-M424 HydrophobicContact CD2-CB 4.41Å; L393-M424 HydrophobicContact CD2-CE 4.42Å; L393-M424 HydrophobicContact CD2-CG 3.51Å; L393-M424 WeakPolarHBondContact CD2-O 3.4Å; I396-M424 HydrophobicContact CD1-CB 4.4Å; I396-M424 HydrophobicContact CG2-CB 4.08Å; L397-M424 HydrophobicContact CD1-CE 3.84Å; L397-M424 HydrophobicContact CD1-SD 4.26Å; L397-M424 HydrophobicContact CD2-CE 4.17Å; L397-M424 HydrophobicContact CD2-SD 3.5Å; L397-M424 WeakPolarHBondContact CD2-SD 3.47Å; L397-M424 HydrophobicContact CG-CE 3.87Å; L397-M424 HydrophobicContact CG-SD 3.68Å; L420-M424 WeakPolarHBondContact O-CB 3.46Å; L420-M424 PolarHBondContact O-N 3.38Å; L421-M424 HydrophobicContact CD2-SD 4.41Å; L421-M424 WeakPolarHBondContact O-CB 3.21Å; L421-M424 PolarHBondContact O-N 3.46Å; Q422-M424 VanDerWaalsContact C-N 3.27Å; Q422-M424 PolarHBondContact O-N 3.27Å; M424-V427 PolarHBondContact O-N 3.35Å; M424-A428 WeakPolarHBondContact O-CB 3.22Å; M424-A428 PolarHBondContact O-N 2.97Å; M424-F444 HydrophobicContact CE-CE2 3.4Å; M424-F444 VanDerWaalsContact CE-CE2 3.4Å; M424-F444 HydrophobicContact CE-CZ 3.28Å; M424-L448 HydrophobicContact CE-CD1 4.19Å; M424-I467 HydrophobicContact CB-CD1 4.26Å; M424-I467 HydrophobicContact CE-CD1 4.35Å; M424-I467 HydrophobicContact CE-CG2 3.82Å; M424-I467 HydrophobicContact CG-CD1 4.08Å; M424-I467 HydrophobicContact SD-CD1 3.77Å |
| 425 | L | 95.3 | Very high | 91.1 | Very high | 33 Ų | 33 | 27.7 Ų | 27.7 | 17% | 0.173 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.1 | -47 | 175.1 | 178.1 | 59.7 | 0 | 0 | 0 | 111 | L421 Q422 V427 A428 T429 I463 K466 I467 | L421-L425 WeakPolarHBondContact O-CB 3.25Å; L421-L425 PolarHBondContact O-N 3.46Å; Q422-L425 PolarHBondContact O-N 3.12Å; L425-V427 VanDerWaalsContact C-N 3.31Å; L425-V427 PolarHBondContact O-N 3.43Å; L425-A428 WeakPolarHBondContact O-CB 3.17Å; L425-A428 PolarHBondContact O-N 3.34Å; L425-A428 VanDerWaalsContact O-N 3.08Å; L425-T429 WeakPolarHBondContact O-CG2 3.07Å; L425-T429 PolarHBondContact O-N 3.31Å; L425-I463 HydrophobicContact CD2-CG2 4.42Å; L425-K466 HydrophobicContact CD1-CB 3.85Å; L425-K466 HydrophobicContact CD2-CB 3.93Å; L425-K466 HydrophobicContact CD2-CD 4.05Å; L425-I467 HydrophobicContact CB-CD1 4.45Å; L425-I467 HydrophobicContact CB-CG1 3.85Å; L425-I467 HydrophobicContact CD1-CG1 3.94Å; L425-I467 HydrophobicContact CG-CG1 4.47Å |
| 426 | T | 94.3 | Very high | 91.4 | Very high | 26 Ų | 26 | 24.6 Ų | 24.6 | 16% | 0.16 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 178.1 | -46 | 0 | 0 | 0 | 0 | 111.4 | I374 A378 Q422 T423 T429 | I374-T426 HydrophobicContact CG2-CG2 4.12Å; I374-T426 WeakPolarHBondContact CG2-OG1 3Å; A378-T426 HydrophobicContact CB-CG2 3.42Å; A378-T426 VanDerWaalsContact CB-CG2 3.42Å; Q422-T426 PolarHBondContact O-N 3.31Å; Q422-T426 PolarHBondContact O-OG1 3.41Å; T423-T426 PolarHBondContact O-N 2.86Å; T426-T429 PolarHBondContact O-OG1 3.18Å |
| 427 | V | 93.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.5 | -42.3 | 172 | 172 | 0 | 0 | 0 | 0 | 111.7 | I377 A381 I392 L393 I396 T423 M424 L425 T429 Q430 | I377-V427 HydrophobicContact CG2-CG2 3.69Å; A381-V427 HydrophobicContact CB-CB 4.38Å; A381-V427 HydrophobicContact CB-CG1 3.87Å; A381-V427 HydrophobicContact CB-CG2 4.19Å; I392-V427 HydrophobicContact CG2-CG1 3.98Å; I392-V427 HydrophobicContact CG2-CG2 4.31Å; L393-V427 HydrophobicContact CD2-CB 3.79Å; L393-V427 HydrophobicContact CD2-CG1 3.6Å; L393-V427 HydrophobicContact CG-CG1 4.02Å; I396-V427 HydrophobicContact CD1-CG2 4.13Å; T423-V427 WeakPolarHBondContact O-CG2 3.45Å; T423-V427 PolarHBondContact O-N 3.04Å; M424-V427 PolarHBondContact O-N 3.35Å; L425-V427 VanDerWaalsContact C-N 3.31Å; L425-V427 PolarHBondContact O-N 3.43Å; V427-T429 VanDerWaalsContact C-N 3.3Å; V427-T429 PolarHBondContact O-N 2.97Å; V427-Q430 WeakPolarHBondContact O-CB 3.19Å; V427-Q430 PolarHBondContact O-N 3.41Å |
| 428 | A | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.3 | -36.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L393 M424 L425 Q430 Y431 T470 L471 | L393-A428 HydrophobicContact CD1-CB 4.31Å; L393-A428 HydrophobicContact CD2-CB 4.16Å; M424-A428 WeakPolarHBondContact O-CB 3.22Å; M424-A428 PolarHBondContact O-N 2.97Å; L425-A428 WeakPolarHBondContact O-CB 3.17Å; L425-A428 PolarHBondContact O-N 3.34Å; L425-A428 VanDerWaalsContact O-N 3.08Å; A428-Q430 PolarHBondContact O-N 3.49Å; A428-Q430 VanDerWaalsContact O-N 3.1Å; A428-Y431 VanDerWaalsContact O-CB 3.29Å; A428-Y431 WeakPolarHBondContact O-CB 3.44Å; A428-Y431 PolarHBondContact O-N 3.24Å; A428-T470 VanDerWaalsContact C-CG2 3.45Å; A428-T470 HydrophobicContact CB-CG2 4.03Å; A428-T470 WeakPolarHBondContact O-CG2 3.49Å; A428-L471 HydrophobicContact CB-CD2 4.11Å; A428-L471 HydrophobicContact CB-CG 4.38Å |
| 429 | T | 94.1 | Very high | 91.7 | Very high | 74 Ų | 74 | 30.4 Ų | 30.4 | 45% | 0.454 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18 | 176 | 64.5 | 0 | 0 | 0 | 0 | 114.1 | L425 T426 V427 T470 | L425-T429 WeakPolarHBondContact O-CG2 3.07Å; L425-T429 PolarHBondContact O-N 3.31Å; T426-T429 PolarHBondContact O-OG1 3.18Å; V427-T429 VanDerWaalsContact C-N 3.3Å; V427-T429 PolarHBondContact O-N 2.97Å; T429-T470 HydrophobicContact CG2-CG2 4.12Å |
| 430 | Q | 92.7 | Very high | 91.5 | Very high | 58 Ų | 58 | 29.9 Ų | 29.9 | 27% | 0.271 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -10 | 175.6 | -51.9 | -51.8 | -52.1 | 0 | 0 | 112.6 | A381 K382 K389 V427 A428 | A381-Q430 HydrophobicContact CB-CB 4.28Å; A381-Q430 HydrophobicContact CB-CG 4.31Å; K382-Q430 HydrophobicContact CB-CB 4.43Å; K382-Q430 HydrophobicContact CB-CG 4.27Å; K389-Q430 WeakPolarHBondContact CE-O 3.43Å; K389-Q430 PolarHBondContact NZ-O 3.49Å; V427-Q430 WeakPolarHBondContact O-CB 3.19Å; V427-Q430 PolarHBondContact O-N 3.41Å; A428-Q430 PolarHBondContact O-N 3.49Å; A428-Q430 VanDerWaalsContact O-N 3.1Å |
| 431 | Y | 92.2 | Very high | 91 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 8% | 0.082 | 17% | 0.171 | C | C | . | . | trans | -83.5 | 140.5 | 178.3 | -176.7 | -95.8 | 0 | 0 | 0 | 110.9 | D386 K389 I390 A428 T433 A439 L471 | D386-Y431 HydrophobicContact CB-CD2 3.96Å; D386-Y431 HydrophobicContact CB-CE2 3.62Å; D386-Y431 WeakPolarHBondContact O-CE2 3.39Å; K389-Y431 HydrophobicContact CB-CD2 4.14Å; K389-Y431 HydrophobicContact CD-CD2 4.29Å; I390-Y431 HydrophobicContact CD1-CD1 4.46Å; I390-Y431 HydrophobicContact CD1-CD2 3.62Å; I390-Y431 HydrophobicContact CD1-CE1 4.33Å; I390-Y431 HydrophobicContact CD1-CE2 3.46Å; I390-Y431 VanDerWaalsContact CD1-CE2 3.46Å; I390-Y431 HydrophobicContact CD1-CG 4.13Å; I390-Y431 HydrophobicContact CG1-CD2 3.98Å; I390-Y431 HydrophobicContact CG1-CE2 3.47Å; I390-Y431 VanDerWaalsContact CG1-CE2 3.47Å; A428-Y431 VanDerWaalsContact O-CB 3.29Å; A428-Y431 WeakPolarHBondContact O-CB 3.44Å; A428-Y431 PolarHBondContact O-N 3.24Å; Y431-T433 HydrophobicContact CE1-CG2 4.49Å; Y431-T433 WeakPolarHBondContact CE1-OG1 3.41Å; Y431-A439 HydrophobicContact CD1-CB 4.4Å; Y431-A439 HydrophobicContact CE1-CB 3.54Å; Y431-L471 HydrophobicContact CD1-CD2 3.89Å; Y431-L471 HydrophobicContact CG-CD2 4.25Å | ||
| 432 | K | 89.8 | Confident | 90.3 | Very high | 154 Ų | 154 | 34 Ų | 34 | 67% | 0.67 | 19% | 0.185 | S | C | * | . | trans | -112.3 | 112.4 | 172.6 | -175.2 | 177.4 | 179.9 | 176.5 | 0 | 109.8 | V434 | K432-V434 PolarHBondContact O-N 2.97Š| ||
| 433 | T | 90.5 | Very high | 89.6 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | trans | -71 | 119.4 | -179.9 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | Y431 I436 L471 R474 | Y431-T433 HydrophobicContact CE1-CG2 4.49Å; Y431-T433 WeakPolarHBondContact CE1-OG1 3.41Å; T433-I436 HydrophobicContact CG2-CG1 3.98Å; T433-L471 WeakPolarHBondContact CB-O 3.44Å; T433-L471 VanDerWaalsContact CG2-O 3.3Å; T433-L471 WeakPolarHBondContact CG2-O 3.29Å; T433-L471 PolarHBondContact OG1-O 3.39Å; T433-R474 HydrophobicContact CG2-CG 3.9Å | ||
| 434 | V | 88.2 | Confident | 89.1 | Confident | 89 Ų | 89 | 38.9 Ų | 38.9 | 54% | 0.539 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -100.7 | -49.1 | 167.8 | 179 | 0 | 0 | 0 | 0 | 109.6 | K432 R474 | K432-V434 PolarHBondContact O-N 2.97Å; V434-R474 PolarHBondContact O-NH1 2.91Å |
| 435 | A | 89.3 | Confident | 88.7 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | trans | -128.8 | 132.6 | 175 | 0 | 0 | 0 | 0 | 0 | 108.5 | S437 N438 Q504 | A435-S437 VanDerWaalsContact C-N 3.25Å; A435-S437 PolarHBondContact O-N 3.06Å; A435-N438 HydrophobicContact CB-CB 4.36Å; A435-N438 WeakPolarHBondContact O-CB 3.3Å; A435-N438 PolarHBondContact O-N 3.08Å; A435-N438 VanDerWaalsContact O-N 3.14Å; A435-Q504 HydrophobicContact CB-CG 4.24Å; A435-Q504 VanDerWaalsContact CB-NE2 3.27Å | ||
| 436 | I | 91.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.6 | -34.3 | -177.2 | -65.3 | 169.1 | 0 | 0 | 0 | 110.2 | T433 N438 A439 L440 I472 D505 F508 E547 M548 | T433-I436 HydrophobicContact CG2-CG1 3.98Å; I436-N438 PolarHBondContact O-N 3.27Å; I436-A439 PolarHBondContact O-N 3.26Å; I436-L440 HydrophobicContact CG2-CD1 4.14Å; I436-L440 PolarHBondContact O-N 2.93Å; I436-I472 HydrophobicContact CD1-CG2 4.15Å; I436-I472 HydrophobicContact CG2-CG1 4.43Å; I436-D505 HydrophobicContact CD1-CB 4.46Å; I436-D505 PolarHBondContact N-OD1 3.46Å; I436-F508 HydrophobicContact CG2-CD1 4.11Å; I436-F508 HydrophobicContact CG2-CE1 3.8Å; I436-F508 HydrophobicContact CG2-CZ 4.43Å; I436-E547 HydrophobicContact CD1-CB 4.09Å; I436-M548 HydrophobicContact CB-SD 4.45Å; I436-M548 HydrophobicContact CD1-CE 4.34Å; I436-M548 HydrophobicContact CD1-CG 3.42Å; I436-M548 VanDerWaalsContact CD1-CG 3.42Å; I436-M548 HydrophobicContact CD1-SD 3.54Å; I436-M548 VanDerWaalsContact CD1-SD 3.54Å; I436-M548 HydrophobicContact CG2-SD 3.99Å |
| 437 | S | 89 | Confident | 87.3 | Confident | 39 Ų | 39 | 40.3 Ų | 40.3 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.7 | -25.7 | 175.3 | 56.5 | 0 | 0 | 0 | 0 | 114.7 | A435 | A435-S437 VanDerWaalsContact C-N 3.25Å; A435-S437 PolarHBondContact O-N 3.06Å |
| 438 | N | 87.9 | Confident | 86.9 | Confident | 104 Ų | 104 | 40.2 Ų | 40.2 | 56% | 0.556 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -77.8 | -29.9 | 174.6 | -69.7 | -15.6 | 0 | 0 | 0 | 111.7 | A435 I436 | A435-N438 HydrophobicContact CB-CB 4.36Å; A435-N438 WeakPolarHBondContact O-CB 3.3Å; A435-N438 PolarHBondContact O-N 3.08Å; A435-N438 VanDerWaalsContact O-N 3.14Å; I436-N438 PolarHBondContact O-N 3.27Å |
| 439 | A | 88.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -83.2 | -42.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | I390 Y431 I436 F444 L471 | I390-A439 HydrophobicContact CD1-CB 4.17Å; Y431-A439 HydrophobicContact CD1-CB 4.4Å; Y431-A439 HydrophobicContact CE1-CB 3.54Å; I436-A439 PolarHBondContact O-N 3.26Å; A439-F444 VanDerWaalsContact O-CD1 3.26Å; A439-F444 WeakPolarHBondContact O-CD1 3.48Å; A439-F444 WeakPolarHBondContact O-CE1 3.24Å; A439-L471 HydrophobicContact CB-CB 4.39Å; A439-L471 HydrophobicContact CB-CD2 4.46Å |
| 440 | L | 87.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -121.6 | 79.2 | -173 | -64.1 | 175.4 | 0 | 0 | 0 | 110.3 | I436 F444 L445 L468 L471 I472 F508 F516 | I436-L440 HydrophobicContact CG2-CD1 4.14Å; I436-L440 PolarHBondContact O-N 2.93Å; L440-F444 HydrophobicContact CD2-CD1 3.73Å; L440-F444 HydrophobicContact CD2-CE1 3.64Å; L440-L445 HydrophobicContact CD1-CD1 4.44Å; L440-L468 HydrophobicContact CD1-CD2 4.25Å; L440-L468 HydrophobicContact CD2-CD2 4.5Å; L440-L471 HydrophobicContact CD2-CD1 3.75Å; L440-L471 HydrophobicContact CG-CB 4.46Å; L440-L471 HydrophobicContact CG-CD1 4.46Å; L440-I472 HydrophobicContact CD1-CD1 4.11Å; L440-I472 HydrophobicContact CD1-CG1 3.85Å; L440-F508 HydrophobicContact CB-CZ 4.09Å; L440-F508 WeakPolarHBondContact O-CE2 3.19Å; L440-F508 WeakPolarHBondContact O-CZ 3.5Å; L440-F516 HydrophobicContact CD1-CZ 4Å |
| 441 | N | 81 | Confident | 85 | Confident | 46 Ų | 46 | 36.3 Ų | 36.3 | 25% | 0.246 | 20% | 0.196 | C | C | . | . | trans | -72.4 | 166.5 | 169.9 | 78 | -3.5 | 0 | 0 | 0 | 111 | K394 D443 F444 L445 | K394-N441 PolarHBondContact NZ-ND2 3.26Å; K394-N441 VanDerWaalsContact NZ-ND2 3.1Å; N441-D443 VanDerWaalsContact C-N 3.26Å; N441-D443 PolarHBondContact O-N 2.96Å; N441-F444 PolarHBondContact O-N 3.16Å; N441-F444 WeakPolarHBondContact OD1-CB 3.29Å; N441-F444 PolarHBondContact OD1-N 2.96Å; N441-L445 VanDerWaalsContact O-CB 3.27Å; N441-L445 WeakPolarHBondContact O-CB 3.32Å; N441-L445 PolarHBondContact O-N 3.02Å | ||
| 442 | S | 76.7 | Confident | 84.6 | Confident | 41 Ų | 41 | 35.5 Ų | 35.5 | 29% | 0.287 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -54.8 | -41 | -176.2 | 47.6 | 0 | 0 | 0 | 0 | 113.1 | N446 | S442-N446 WeakPolarHBondContact O-CB 3.32Å; S442-N446 VanDerWaalsContact O-CG 3.3Å; S442-N446 PolarHBondContact O-N 2.71Å; S442-N446 PolarHBondContact O-ND2 2.9Å |
| 443 | D | 77.1 | Confident | 84.4 | Confident | 110 Ų | 110 | 28.1 Ų | 28.1 | 59% | 0.588 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -72.1 | -45.4 | -174 | -49.4 | -22 | 0 | 0 | 0 | 110.7 | N441 N446 L447 | N441-D443 VanDerWaalsContact C-N 3.26Å; N441-D443 PolarHBondContact O-N 2.96Å; D443-N446 PolarHBondContact O-N 3.46Å; D443-L447 PolarHBondContact O-N 2.91Å |
| 444 | F | 83.9 | Confident | 84.1 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.7 | -41.1 | 176.1 | -178.5 | -131.4 | 0 | 0 | 0 | 111.6 | L393 K394 L397 M424 A439 L440 N441 L447 L448 L471 | L393-F444 HydrophobicContact CB-CE2 4Å; L393-F444 HydrophobicContact CB-CZ 3.73Å; L393-F444 HydrophobicContact CD1-CZ 4.19Å; K394-F444 HydrophobicContact CG-CB 4.16Å; K394-F444 HydrophobicContact CG-CD2 3.77Å; K394-F444 HydrophobicContact CG-CE2 4.42Å; K394-F444 HydrophobicContact CG-CG 4.1Å; L397-F444 HydrophobicContact CD1-CD2 3.64Å; L397-F444 HydrophobicContact CD1-CE2 3.35Å; L397-F444 HydrophobicContact CD1-CZ 4.47Å; L397-F444 HydrophobicContact CG-CE2 4.23Å; M424-F444 HydrophobicContact CE-CE2 3.4Å; M424-F444 VanDerWaalsContact CE-CE2 3.4Å; M424-F444 HydrophobicContact CE-CZ 3.28Å; A439-F444 VanDerWaalsContact O-CD1 3.26Å; A439-F444 WeakPolarHBondContact O-CD1 3.48Å; A439-F444 WeakPolarHBondContact O-CE1 3.24Å; L440-F444 HydrophobicContact CD2-CD1 3.73Å; L440-F444 HydrophobicContact CD2-CE1 3.64Å; N441-F444 PolarHBondContact O-N 3.16Å; N441-F444 WeakPolarHBondContact OD1-CB 3.29Å; N441-F444 PolarHBondContact OD1-N 2.96Å; F444-L447 PolarHBondContact O-N 3.38Å; F444-L448 WeakPolarHBondContact O-CB 3.4Å; F444-L448 PolarHBondContact O-N 3.24Å; F444-L471 HydrophobicContact CE1-CD1 3.83Å; F444-L471 HydrophobicContact CZ-CD1 4.29Å |
| 445 | L | 84.7 | Confident | 84 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 176.5 | -172.3 | 69.8 | 0 | 0 | 0 | 111.7 | L440 N441 L448 L449 F508 T512 L515 F516 | L440-L445 HydrophobicContact CD1-CD1 4.44Å; N441-L445 VanDerWaalsContact O-CB 3.27Å; N441-L445 WeakPolarHBondContact O-CB 3.32Å; N441-L445 PolarHBondContact O-N 3.02Å; L445-L448 PolarHBondContact O-N 3.26Å; L445-L449 HydrophobicContact CD1-CD1 3.64Å; L445-L449 HydrophobicContact CD1-CD2 4.44Å; L445-L449 HydrophobicContact CD1-CG 3.8Å; L445-L449 HydrophobicContact CD2-CD1 4.26Å; L445-L449 HydrophobicContact CG-CD1 3.73Å; L445-L449 HydrophobicContact CG-CG 4.07Å; L445-L449 WeakPolarHBondContact O-CB 3.32Å; L445-L449 WeakPolarHBondContact O-CG 3.33Å; L445-L449 PolarHBondContact O-N 3.03Å; L445-F508 HydrophobicContact CD2-CZ 4.18Å; L445-T512 HydrophobicContact CD2-CG2 4.31Å; L445-L515 HydrophobicContact CD2-CB 4.42Å; L445-L515 HydrophobicContact CD2-CD1 4.21Å; L445-F516 HydrophobicContact CD1-CD2 4.5Å; L445-F516 HydrophobicContact CD1-CE1 4Å; L445-F516 HydrophobicContact CD1-CE2 3.69Å; L445-F516 HydrophobicContact CD1-CZ 3.4Å; L445-F516 VanDerWaalsContact CD1-CZ 3.4Å; L445-F516 HydrophobicContact CD2-CD2 3.94Å; L445-F516 HydrophobicContact CD2-CE2 3.49Å; L445-F516 VanDerWaalsContact CD2-CE2 3.49Å; L445-F516 HydrophobicContact CD2-CZ 4.14Å; L445-F516 HydrophobicContact CG-CE2 4.23Å; L445-F516 HydrophobicContact CG-CZ 4.42Å |
| 446 | N | 79.8 | Confident | 83.7 | Confident | 42 Ų | 42 | 28.2 Ų | 28.2 | 23% | 0.225 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 175.2 | -83 | -41.3 | 0 | 0 | 0 | 111.3 | S442 D443 L448 R450 L515 | S442-N446 WeakPolarHBondContact O-CB 3.32Å; S442-N446 VanDerWaalsContact O-CG 3.3Å; S442-N446 PolarHBondContact O-N 2.71Å; S442-N446 PolarHBondContact O-ND2 2.9Å; D443-N446 PolarHBondContact O-N 3.46Å; N446-L448 VanDerWaalsContact C-N 3.31Å; N446-L448 PolarHBondContact O-N 3.43Å; N446-R450 WeakPolarHBondContact O-CA 3.46Å; N446-R450 VanDerWaalsContact O-CB 3.29Å; N446-R450 WeakPolarHBondContact O-CB 3.48Å; N446-R450 PolarHBondContact O-N 2.89Å; N446-L515 WeakPolarHBondContact OD1-CD1 3.21Å |
| 447 | L | 80.4 | Confident | 83.3 | Confident | 47 Ų | 47 | 29.2 Ų | 29.2 | 25% | 0.246 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -61.8 | -40.2 | 179.2 | -171 | 58.6 | 0 | 0 | 0 | 111.9 | L397 D443 F444 G451 | L397-L447 HydrophobicContact CB-CD2 3.39Å; L397-L447 HydrophobicContact CB-CG 4.06Å; L397-L447 HydrophobicContact CD1-CB 4.26Å; L397-L447 HydrophobicContact CD1-CD2 3.82Å; L397-L447 HydrophobicContact CD1-CG 3.91Å; L397-L447 HydrophobicContact CG-CD2 4.25Å; D443-L447 PolarHBondContact O-N 2.91Å; F444-L447 PolarHBondContact O-N 3.38Å; L447-G451 WeakPolarHBondContact O-CA 3.41Å; L447-G451 PolarHBondContact O-N 2.73Å; L447-G451 VanDerWaalsContact O-N 3.09Å |
| 448 | L | 86.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -71.6 | -51.9 | 178.8 | -167.9 | 64.7 | 0 | 0 | 0 | 112.1 | L397 M424 F444 L445 N446 V452 A453 V464 I467 L468 | L397-L448 HydrophobicContact CD1-CD1 4.46Å; M424-L448 HydrophobicContact CE-CD1 4.19Å; F444-L448 WeakPolarHBondContact O-CB 3.4Å; F444-L448 PolarHBondContact O-N 3.24Å; L445-L448 PolarHBondContact O-N 3.26Å; N446-L448 VanDerWaalsContact C-N 3.31Å; N446-L448 PolarHBondContact O-N 3.43Å; L448-V452 PolarHBondContact O-N 3.02Å; L448-A453 WeakPolarHBondContact O-CB 3.25Å; L448-A453 PolarHBondContact O-N 3.15Å; L448-V464 HydrophobicContact CD1-CG1 3.7Å; L448-V464 HydrophobicContact CD1-CG2 4.28Å; L448-V464 HydrophobicContact CD2-CG1 4.31Å; L448-V464 HydrophobicContact CG-CG1 3.71Å; L448-I467 HydrophobicContact CD2-CG2 4.23Å; L448-L468 HydrophobicContact CD2-CD2 3.56Å; L448-L468 HydrophobicContact CD2-CG 3.89Å |
| 449 | L | 86.9 | Confident | 83.4 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -77.6 | -41.2 | -173 | -62.9 | -171.3 | 0 | 0 | 0 | 113.7 | L445 A453 L468 L515 F516 N519 | L445-L449 HydrophobicContact CD1-CD1 3.64Å; L445-L449 HydrophobicContact CD1-CD2 4.44Å; L445-L449 HydrophobicContact CD1-CG 3.8Å; L445-L449 HydrophobicContact CD2-CD1 4.26Å; L445-L449 HydrophobicContact CG-CD1 3.73Å; L445-L449 HydrophobicContact CG-CG 4.07Å; L445-L449 WeakPolarHBondContact O-CB 3.32Å; L445-L449 WeakPolarHBondContact O-CG 3.33Å; L445-L449 PolarHBondContact O-N 3.03Å; L449-A453 HydrophobicContact CD2-CB 4.36Å; L449-L468 HydrophobicContact CD2-CD1 3.82Å; L449-L468 HydrophobicContact CD2-CD2 4.38Å; L449-L515 HydrophobicContact CD1-CB 4.24Å; L449-F516 HydrophobicContact CD1-CD1 4.29Å; L449-F516 HydrophobicContact CD1-CG 4.42Å; L449-N519 HydrophobicContact CB-CB 4.44Å; L449-N519 HydrophobicContact CD1-CB 4.29Å; L449-N519 PolarHBondContact O-ND2 3.11Å |
| 450 | R | 77.7 | Confident | 83.5 | Confident | 33 Ų | 33 | 24.5 Ų | 24.5 | 13% | 0.125 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -92.7 | -22.6 | -179.6 | -65 | 178.9 | 170.1 | -166.9 | -2.8 | 112.7 | N446 L515 Y675 Y679 | N446-R450 WeakPolarHBondContact O-CA 3.46Å; N446-R450 VanDerWaalsContact O-CB 3.29Å; N446-R450 WeakPolarHBondContact O-CB 3.48Å; N446-R450 PolarHBondContact O-N 2.89Å; R450-L515 VanDerWaalsContact NH2-CD2 3.34Å; R450-Y675 HydrophobicContact CG-CD1 4.23Å; R450-Y675 HydrophobicContact CG-CE1 3.6Å; R450-Y679 PolarHBondContact O-OH 3.32Å |
| 451 | G | 76.3 | Confident | 83.7 | Confident | 16 Ų | 16 | 24.5 Ų | 24.5 | 17% | 0.165 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -80.2 | -69.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y405 L447 | Y405-G451 VanDerWaalsContact CE1-O 3.24Å; Y405-G451 WeakPolarHBondContact CE1-O 3.38Å; L447-G451 WeakPolarHBondContact O-CA 3.41Å; L447-G451 PolarHBondContact O-N 2.73Å; L447-G451 VanDerWaalsContact O-N 3.09Å |
| 452 | V | 82.4 | Confident | 84.3 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -107.9 | -27.8 | -160.9 | -165.3 | 0 | 0 | 0 | 0 | 113.8 | M402 Y405 L421 L448 I454 D455 I460 V464 | M402-V452 HydrophobicContact CE-CG2 3.75Å; Y405-V452 HydrophobicContact CD1-CG2 4.39Å; L421-V452 HydrophobicContact CD1-CG1 3.79Å; L421-V452 HydrophobicContact CD2-CG1 4.13Å; L421-V452 HydrophobicContact CG-CG1 4.48Å; L448-V452 PolarHBondContact O-N 3.02Å; V452-I454 PolarHBondContact O-N 3.31Å; V452-D455 WeakPolarHBondContact O-CB 3.31Å; V452-D455 PolarHBondContact O-N 3.2Å; V452-D455 VanDerWaalsContact O-N 3.08Å; V452-I460 HydrophobicContact CG1-CG2 3.57Å; V452-V464 HydrophobicContact CB-CG2 4.03Å; V452-V464 HydrophobicContact CG1-CG2 3.81Å |
| 453 | A | 86.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -13.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L448 L449 R461 V464 Q523 | L448-A453 WeakPolarHBondContact O-CB 3.25Å; L448-A453 PolarHBondContact O-N 3.15Å; L449-A453 HydrophobicContact CD2-CB 4.36Å; A453-R461 VanDerWaalsContact O-CD 3.28Å; A453-R461 WeakPolarHBondContact O-CD 3.37Å; A453-R461 WeakPolarHBondContact O-CG 3.46Å; A453-V464 HydrophobicContact CB-CB 4.46Å; A453-V464 HydrophobicContact CB-CG1 3.67Å; A453-Q523 PolarHBondContact O-NE2 3.27Å; A453-Q523 PolarHBondContact O-OE1 3.21Å |
| 454 | I | 84.2 | Confident | 85.9 | Confident | 38 Ų | 38 | 16.2 Ų | 16.2 | 20% | 0.195 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 16 | 178 | 62.9 | 145 | 0 | 0 | 0 | 112.7 | P407 V452 Y679 | P407-I454 HydrophobicContact CG-CD1 3.79Å; P407-I454 HydrophobicContact CG-CG1 4.25Å; V452-I454 PolarHBondContact O-N 3.31Å; I454-Y679 HydrophobicContact CD1-CE1 3.88Å; I454-Y679 HydrophobicContact CD1-CE2 3.55Å; I454-Y679 WeakPolarHBondContact CD1-OH 3.24Å |
| 455 | D | 85 | Confident | 86.5 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -55.2 | 137.1 | 175.2 | -175.7 | -57.9 | 0 | 0 | 0 | 110.1 | Y405 R412 V452 D457 I460 R461 | Y405-D455 VanDerWaalsContact CZ-OD2 3.29Å; Y405-D455 VanDerWaalsContact OH-CB 3.25Å; Y405-D455 WeakPolarHBondContact OH-CB 3.4Å; Y405-D455 PolarHBondContact OH-OD2 2.98Å; R412-D455 IonicContact CZ-OD1 2.9Å; R412-D455 IonicContact CZ-OD2 3.35Å; R412-D455 IonicContact NE-OD1 3.34Å; R412-D455 IonicContact NE-OD2 2.89Å; R412-D455 PolarHBondContact NE-OD2 2.91Å; R412-D455 IonicContact NH1-OD1 2.77Å; R412-D455 IonicContact NH2-OD1 2.66Å; R412-D455 PolarHBondContact NH2-OD1 3.24Å; R412-D455 IonicContact NH2-OD2 3.4Å; R412-D455 PolarHBondContact NH2-OD2 3.27Å; V452-D455 WeakPolarHBondContact O-CB 3.31Å; V452-D455 PolarHBondContact O-N 3.2Å; V452-D455 VanDerWaalsContact O-N 3.08Å; D455-D457 PolarHBondContact O-N 3.24Å; D455-D457 VanDerWaalsContact O-N 3.13Å; D455-D457 WeakPolarHBondContact OD1-CA 3.4Å; D455-D457 WeakPolarHBondContact OD1-CB 3.47Å; D455-D457 PolarHBondContact OD1-N 3.29Å; D455-I460 HydrophobicContact CB-CB 3.95Å; D455-I460 HydrophobicContact CB-CG2 3.55Å; D455-I460 WeakPolarHBondContact OD2-CD1 3.48Å; D455-R461 WeakPolarHBondContact O-CD 3.47Å; D455-R461 WeakPolarHBondContact O-CG 3.32Å; D455-R461 PolarHBondContact O-NH1 3.2Å | ||
| 456 | P | 82.9 | Confident | 87 | Confident | 70 Ų | 70 | 18.1 Ų | 18.1 | 46% | 0.455 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -57.3 | -25.4 | 178.6 | -26.3 | 34.6 | 0 | 0 | 0 | 114.8 | R461 | P456-R461 VanDerWaalsContact C-NH1 3.29Å; P456-R461 PolarHBondContact O-NH1 3.27Å |
| 457 | D | 85.2 | Confident | 87.7 | Confident | 20 Ų | 20 | 16.1 Ų | 16.1 | 11% | 0.107 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -84.2 | 117.2 | 178.6 | -168.2 | -26.5 | 0 | 0 | 0 | 111.6 | R412 K414 D455 V459 I460 R461 | R412-D457 IonicContact NH2-OD2 3.31Å; K414-D457 WeakPolarHBondContact CD-OD2 3.4Å; K414-D457 WeakPolarHBondContact CE-OD2 3.49Å; K414-D457 IonicContact NZ-OD2 3.17Å; K414-D457 PolarHBondContact NZ-OD2 2.91Å; D455-D457 PolarHBondContact O-N 3.24Å; D455-D457 VanDerWaalsContact O-N 3.13Å; D455-D457 WeakPolarHBondContact OD1-CA 3.4Å; D455-D457 WeakPolarHBondContact OD1-CB 3.47Å; D455-D457 PolarHBondContact OD1-N 3.29Å; D457-V459 PolarHBondContact O-N 3.17Å; D457-V459 VanDerWaalsContact O-N 3.17Å; D457-V459 WeakPolarHBondContact OD1-CB 3.19Å; D457-V459 PolarHBondContact OD1-N 3.31Å; D457-I460 HydrophobicContact CB-CG1 4.24Å; D457-I460 PolarHBondContact O-N 2.89Å; D457-I460 VanDerWaalsContact O-N 3.13Å; D457-R461 PolarHBondContact O-N 3.13Å |
| 458 | P | 88.6 | Confident | 88.4 | Confident | 28 Ų | 28 | 14 Ų | 14 | 18% | 0.182 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60 | -28.6 | -179.1 | 24.4 | -34.1 | 0 | 0 | 0 | 113.2 | I460 R461 I462 | P458-I460 VanDerWaalsContact C-N 3.32Å; P458-I460 PolarHBondContact O-N 2.91Å; P458-R461 PolarHBondContact O-N 3.49Å; P458-I462 VanDerWaalsContact O-CG1 3.3Å; P458-I462 WeakPolarHBondContact O-CG1 3.34Å; P458-I462 PolarHBondContact O-N 2.81Å |
| 459 | V | 89.5 | Confident | 88.9 | Confident | 17 Ų | 17 | 14.1 Ų | 14.1 | 10% | 0.103 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.8 | -41.8 | 178.5 | 172.4 | 0 | 0 | 0 | 0 | 111 | M418 D457 I462 I463 I840 | M418-V459 HydrophobicContact CE-CG1 3.72Å; D457-V459 PolarHBondContact O-N 3.17Å; D457-V459 VanDerWaalsContact O-N 3.17Å; D457-V459 WeakPolarHBondContact OD1-CB 3.19Å; D457-V459 PolarHBondContact OD1-N 3.31Å; V459-I462 PolarHBondContact O-N 2.98Å; V459-I463 HydrophobicContact CG1-CD1 4.37Å; V459-I463 WeakPolarHBondContact O-CG1 3.35Å; V459-I463 PolarHBondContact O-N 3.44Å; V459-I463 VanDerWaalsContact O-N 3.14Å; V459-I840 HydrophobicContact CG1-CB 4.47Å; V459-I840 HydrophobicContact CG1-CD1 3.62Å; V459-I840 HydrophobicContact CG1-CG1 3.52Å; V459-I840 HydrophobicContact CG1-CG2 4.24Å; V459-I840 HydrophobicContact CG2-CG1 4.26Å |
| 460 | I | 90 | Very high | 89.3 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.8 | -43.9 | 178.7 | -65.5 | -145.1 | 0 | 0 | 0 | 110 | I417 M418 L421 V452 D455 D457 P458 I462 I463 V464 | I417-I460 HydrophobicContact CB-CD1 4.26Å; I417-I460 HydrophobicContact CG2-CD1 3.7Å; M418-I460 HydrophobicContact CG-CD1 4.02Å; M418-I460 HydrophobicContact CG-CG1 4.17Å; L421-I460 HydrophobicContact CD1-CG2 3.65Å; V452-I460 HydrophobicContact CG1-CG2 3.57Å; D455-I460 HydrophobicContact CB-CB 3.95Å; D455-I460 HydrophobicContact CB-CG2 3.55Å; D455-I460 WeakPolarHBondContact OD2-CD1 3.48Å; D457-I460 HydrophobicContact CB-CG1 4.24Å; D457-I460 PolarHBondContact O-N 2.89Å; D457-I460 VanDerWaalsContact O-N 3.13Å; P458-I460 VanDerWaalsContact C-N 3.32Å; P458-I460 PolarHBondContact O-N 2.91Å; I460-I462 VanDerWaalsContact C-N 3.33Å; I460-I462 PolarHBondContact O-N 3.29Å; I460-I463 PolarHBondContact O-N 3.29Å; I460-V464 WeakPolarHBondContact O-CG2 3.36Å; I460-V464 PolarHBondContact O-N 2.91Å; I460-V464 VanDerWaalsContact O-N 3.08Å |
| 461 | R | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.9 | -43.9 | 175.6 | -58.6 | -163.4 | -62.5 | -92 | 9 | 111.6 | A453 D455 P456 D457 P458 I463 V464 Q465 D526 S528 N529 N533 | A453-R461 VanDerWaalsContact O-CD 3.28Å; A453-R461 WeakPolarHBondContact O-CD 3.37Å; A453-R461 WeakPolarHBondContact O-CG 3.46Å; D455-R461 WeakPolarHBondContact O-CD 3.47Å; D455-R461 WeakPolarHBondContact O-CG 3.32Å; D455-R461 PolarHBondContact O-NH1 3.2Å; P456-R461 VanDerWaalsContact C-NH1 3.29Å; P456-R461 PolarHBondContact O-NH1 3.27Å; D457-R461 PolarHBondContact O-N 3.13Å; P458-R461 PolarHBondContact O-N 3.49Å; R461-I463 VanDerWaalsContact C-N 3.35Å; R461-I463 PolarHBondContact O-N 2.93Å; R461-V464 WeakPolarHBondContact O-CB 3.05Å; R461-V464 PolarHBondContact O-N 3.42Å; R461-V464 VanDerWaalsContact O-N 3.13Å; R461-Q465 WeakPolarHBondContact O-CG 3.48Å; R461-Q465 PolarHBondContact O-N 2.76Å; R461-D526 IonicContact CZ-OD2 2.71Å; R461-D526 IonicContact NH1-OD2 3.48Å; R461-D526 IonicContact NH2-OD2 2.93Å; R461-S528 PolarHBondContact NH1-OG 2.85Å; R461-S528 PolarHBondContact NH2-OG 3.47Å; R461-N529 PolarHBondContact NH2-OD1 3.47Å; R461-N533 PolarHBondContact NE-ND2 3.11Å |
| 462 | I | 94.4 | Very high | 90.9 | Very high | 17 Ų | 17 | 13.8 Ų | 13.8 | 9% | 0.087 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.8 | -44.7 | 176.2 | -72.3 | 168.7 | 0 | 0 | 0 | 111.6 | P458 V459 I460 V464 Q465 K466 D532 N533 Y536 | P458-I462 VanDerWaalsContact O-CG1 3.3Å; P458-I462 WeakPolarHBondContact O-CG1 3.34Å; P458-I462 PolarHBondContact O-N 2.81Å; V459-I462 PolarHBondContact O-N 2.98Å; I460-I462 VanDerWaalsContact C-N 3.33Å; I460-I462 PolarHBondContact O-N 3.29Å; I462-V464 VanDerWaalsContact C-N 3.3Å; I462-V464 PolarHBondContact O-N 3.06Å; I462-Q465 PolarHBondContact O-N 3.18Å; I462-K466 HydrophobicContact CG2-CD 4.37Å; I462-K466 WeakPolarHBondContact O-CG 3.34Å; I462-K466 PolarHBondContact O-N 3.15Å; I462-D532 HydrophobicContact CD1-CB 4.36Å; I462-N533 HydrophobicContact CD1-CB 4.16Å; I462-N533 HydrophobicContact CG1-CB 3.96Å; I462-N533 WeakPolarHBondContact CG1-OD1 3.45Å; I462-Y536 HydrophobicContact CB-CD2 4.33Å; I462-Y536 HydrophobicContact CD1-CD2 4.43Å; I462-Y536 HydrophobicContact CG1-CD2 3.91Å; I462-Y536 HydrophobicContact CG1-CE2 4.36Å; I462-Y536 HydrophobicContact CG2-CD2 3.71Å; I462-Y536 HydrophobicContact CG2-CE1 4.37Å; I462-Y536 HydrophobicContact CG2-CE2 3.53Å; I462-Y536 HydrophobicContact CG2-CG 4.27Å |
| 463 | I | 94 | Very high | 91.5 | Very high | 5 Ų | 5 | 14.8 Ų | 14.8 | 3% | 0.026 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 178.3 | -60.3 | 164.9 | 0 | 0 | 0 | 110.5 | L421 Q422 L425 V459 I460 R461 Q465 K466 I467 | L421-I463 HydrophobicContact CB-CB 4.45Å; L421-I463 HydrophobicContact CB-CG2 3.68Å; Q422-I463 HydrophobicContact CG-CD1 4.38Å; L425-I463 HydrophobicContact CD2-CG2 4.42Å; V459-I463 HydrophobicContact CG1-CD1 4.37Å; V459-I463 WeakPolarHBondContact O-CG1 3.35Å; V459-I463 PolarHBondContact O-N 3.44Å; V459-I463 VanDerWaalsContact O-N 3.14Å; I460-I463 PolarHBondContact O-N 3.29Å; R461-I463 VanDerWaalsContact C-N 3.35Å; R461-I463 PolarHBondContact O-N 2.93Å; I463-Q465 VanDerWaalsContact C-N 3.35Å; I463-Q465 PolarHBondContact O-N 3.1Å; I463-K466 WeakPolarHBondContact O-CB 3.24Å; I463-K466 PolarHBondContact O-N 3.3Å; I463-I467 HydrophobicContact CG2-CD1 4.19Å; I463-I467 WeakPolarHBondContact O-CG1 3.3Å; I463-I467 PolarHBondContact O-N 3.35Å |
| 464 | V | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | 174.7 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | L421 L448 V452 A453 I460 R461 I462 K466 I467 L468 | L421-V464 HydrophobicContact CD2-CG2 4.26Å; L448-V464 HydrophobicContact CD1-CG1 3.7Å; L448-V464 HydrophobicContact CD1-CG2 4.28Å; L448-V464 HydrophobicContact CD2-CG1 4.31Å; L448-V464 HydrophobicContact CG-CG1 3.71Å; V452-V464 HydrophobicContact CB-CG2 4.03Å; V452-V464 HydrophobicContact CG1-CG2 3.81Å; A453-V464 HydrophobicContact CB-CB 4.46Å; A453-V464 HydrophobicContact CB-CG1 3.67Å; I460-V464 WeakPolarHBondContact O-CG2 3.36Å; I460-V464 PolarHBondContact O-N 2.91Å; I460-V464 VanDerWaalsContact O-N 3.08Å; R461-V464 WeakPolarHBondContact O-CB 3.05Å; R461-V464 PolarHBondContact O-N 3.42Å; R461-V464 VanDerWaalsContact O-N 3.13Å; I462-V464 VanDerWaalsContact C-N 3.3Å; I462-V464 PolarHBondContact O-N 3.06Å; V464-K466 PolarHBondContact O-N 3.3Å; V464-I467 WeakPolarHBondContact O-CB 3.22Å; V464-I467 PolarHBondContact O-N 3.23Å; V464-L468 HydrophobicContact CG1-CD1 4.47Å; V464-L468 WeakPolarHBondContact O-CG 3.41Å; V464-L468 PolarHBondContact O-N 3.24Å |
| 465 | Q | 95.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62 | -43 | 174.3 | -61.8 | -57 | -27.5 | 0 | 0 | 111.7 | R461 I462 I463 I467 L468 H469 Y536 T540 | R461-Q465 WeakPolarHBondContact O-CG 3.48Å; R461-Q465 PolarHBondContact O-N 2.76Å; I462-Q465 PolarHBondContact O-N 3.18Å; I463-Q465 VanDerWaalsContact C-N 3.35Å; I463-Q465 PolarHBondContact O-N 3.1Å; Q465-I467 VanDerWaalsContact C-N 3.3Å; Q465-I467 PolarHBondContact O-N 3.37Å; Q465-L468 WeakPolarHBondContact O-CB 3.27Å; Q465-L468 PolarHBondContact O-N 2.87Å; Q465-L468 VanDerWaalsContact O-N 3.15Å; Q465-H469 PolarHBondContact O-CD2 3.18Å; Q465-H469 PolarHBondContact O-N 2.93Å; Q465-Y536 HydrophobicContact CB-CD1 4.32Å; Q465-Y536 HydrophobicContact CB-CG 4.3Å; Q465-T540 PolarHBondContact OE1-OG1 3.25Å |
| 466 | K | 96.4 | Very high | 92.6 | Very high | 43 Ų | 43 | 19.9 Ų | 19.9 | 19% | 0.187 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.1 | -40.1 | 175.4 | -71.4 | 177.3 | 177.4 | -174.2 | 0 | 112.5 | L425 I462 I463 V464 H469 T470 Y536 | L425-K466 HydrophobicContact CD1-CB 3.85Å; L425-K466 HydrophobicContact CD2-CB 3.93Å; L425-K466 HydrophobicContact CD2-CD 4.05Å; I462-K466 HydrophobicContact CG2-CD 4.37Å; I462-K466 WeakPolarHBondContact O-CG 3.34Å; I462-K466 PolarHBondContact O-N 3.15Å; I463-K466 WeakPolarHBondContact O-CB 3.24Å; I463-K466 PolarHBondContact O-N 3.3Å; V464-K466 PolarHBondContact O-N 3.3Å; K466-H469 PolarHBondContact O-N 3.4Å; K466-T470 WeakPolarHBondContact O-CB 3.26Å; K466-T470 PolarHBondContact O-N 3.22Å; K466-T470 PolarHBondContact O-OG1 3.38Å; K466-Y536 HydrophobicContact CD-CE1 4.17Å; K466-Y536 VanDerWaalsContact CE-CE1 3.5Å; K466-Y536 WeakPolarHBondContact CE-OH 3.43Å; K466-Y536 HydrophobicContact CG-CD1 4.04Å; K466-Y536 HydrophobicContact CG-CE1 3.52Å; K466-Y536 PolarHBondContact NZ-OH 2.79Å |
| 467 | I | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.7 | -47.8 | 175.1 | -68.4 | 162.4 | 0 | 0 | 0 | 110 | L421 M424 L425 L448 I463 V464 Q465 H469 T470 L471 | L421-I467 HydrophobicContact CD2-CD1 4.14Å; M424-I467 HydrophobicContact CB-CD1 4.26Å; M424-I467 HydrophobicContact CE-CD1 4.35Å; M424-I467 HydrophobicContact CE-CG2 3.82Å; M424-I467 HydrophobicContact CG-CD1 4.08Å; M424-I467 HydrophobicContact SD-CD1 3.77Å; L425-I467 HydrophobicContact CB-CD1 4.45Å; L425-I467 HydrophobicContact CB-CG1 3.85Å; L425-I467 HydrophobicContact CD1-CG1 3.94Å; L425-I467 HydrophobicContact CG-CG1 4.47Å; L448-I467 HydrophobicContact CD2-CG2 4.23Å; I463-I467 HydrophobicContact CG2-CD1 4.19Å; I463-I467 WeakPolarHBondContact O-CG1 3.3Å; I463-I467 PolarHBondContact O-N 3.35Å; V464-I467 WeakPolarHBondContact O-CB 3.22Å; V464-I467 PolarHBondContact O-N 3.23Å; Q465-I467 VanDerWaalsContact C-N 3.3Å; Q465-I467 PolarHBondContact O-N 3.37Å; I467-H469 PolarHBondContact O-N 3.36Å; I467-T470 PolarHBondContact O-N 3.04Å; I467-L471 HydrophobicContact CG2-CD1 3.99Å; I467-L471 WeakPolarHBondContact O-CG 3.41Å; I467-L471 PolarHBondContact O-N 2.9Å; I467-L471 VanDerWaalsContact O-N 3.09Å |
| 468 | L | 94.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.6 | -46.9 | 176.9 | -73.4 | 171.8 | 0 | 0 | 0 | 111.6 | L440 L448 L449 V464 Q465 T470 L471 I472 F516 | L440-L468 HydrophobicContact CD1-CD2 4.25Å; L440-L468 HydrophobicContact CD2-CD2 4.5Å; L448-L468 HydrophobicContact CD2-CD2 3.56Å; L448-L468 HydrophobicContact CD2-CG 3.89Å; L449-L468 HydrophobicContact CD2-CD1 3.82Å; L449-L468 HydrophobicContact CD2-CD2 4.38Å; V464-L468 HydrophobicContact CG1-CD1 4.47Å; V464-L468 WeakPolarHBondContact O-CG 3.41Å; V464-L468 PolarHBondContact O-N 3.24Å; Q465-L468 WeakPolarHBondContact O-CB 3.27Å; Q465-L468 PolarHBondContact O-N 2.87Å; Q465-L468 VanDerWaalsContact O-N 3.15Å; L468-T470 VanDerWaalsContact C-N 3.33Å; L468-T470 PolarHBondContact O-N 3.48Å; L468-L471 PolarHBondContact O-N 3.49Å; L468-I472 HydrophobicContact CB-CD1 4.35Å; L468-I472 WeakPolarHBondContact O-CB 3.46Å; L468-I472 VanDerWaalsContact O-CG1 3.24Å; L468-I472 WeakPolarHBondContact O-CG1 3.5Å; L468-I472 PolarHBondContact O-N 3.19Å; L468-F516 HydrophobicContact CD2-CE1 4.2Å |
| 469 | H | 95.9 | Very high | 94 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 178.9 | -61.1 | 170.9 | 0 | 0 | 0 | 110.9 | Q465 K466 I467 L471 I472 D473 T478 Y536 C539 T540 L543 | Q465-H469 PolarHBondContact O-CD2 3.18Å; Q465-H469 PolarHBondContact O-N 2.93Å; K466-H469 PolarHBondContact O-N 3.4Å; I467-H469 PolarHBondContact O-N 3.36Å; H469-L471 VanDerWaalsContact C-N 3.27Å; H469-L471 PolarHBondContact O-N 2.74Å; H469-I472 PolarHBondContact O-N 3.34Å; H469-D473 WeakPolarHBondContact O-CB 3.31Å; H469-D473 PolarHBondContact O-N 3Å; H469-T478 HydrophobicContact CB-CG2 4.05Å; H469-Y536 AromaticContact CE1-CD1 3.67Å; H469-Y536 PolarHBondContact CE1-O 3.26Å; H469-Y536 VanDerWaalsContact CE1-O 3.24Å; H469-Y536 AromaticContact ND1-CD1 3.92Å; H469-Y536 PolarHBondContact NE2-O 2.95Å; H469-Y536 VanDerWaalsContact NE2-O 3.14Å; H469-C539 VanDerWaalsContact CE1-SG 3.5Å; H469-T540 PolarHBondContact CD2-OG1 2.88Å; H469-T540 PolarHBondContact NE2-N 2.95Å; H469-T540 PolarHBondContact NE2-OG1 3.36Å; H469-L543 HydrophobicContact CB-CD1 3.84Å |
| 470 | T | 95.1 | Very high | 94.3 | Very high | 41 Ų | 41 | 26.1 Ų | 26.1 | 25% | 0.252 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -59.7 | -36.3 | 178.9 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | A428 T429 K466 I467 L468 | A428-T470 VanDerWaalsContact C-CG2 3.45Å; A428-T470 HydrophobicContact CB-CG2 4.03Å; A428-T470 WeakPolarHBondContact O-CG2 3.49Å; T429-T470 HydrophobicContact CG2-CG2 4.12Å; K466-T470 WeakPolarHBondContact O-CB 3.26Å; K466-T470 PolarHBondContact O-N 3.22Å; K466-T470 PolarHBondContact O-OG1 3.38Å; I467-T470 PolarHBondContact O-N 3.04Å; L468-T470 VanDerWaalsContact C-N 3.33Å; L468-T470 PolarHBondContact O-N 3.48Å |
| 471 | L | 94.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -85.4 | -20.4 | -179.1 | -64.1 | 176 | 0 | 0 | 0 | 113.6 | I390 L393 A428 Y431 T433 A439 L440 F444 I467 L468 H469 | I390-L471 HydrophobicContact CD1-CD2 4.44Å; L393-L471 HydrophobicContact CD1-CD1 4.27Å; L393-L471 HydrophobicContact CD1-CD2 4.05Å; A428-L471 HydrophobicContact CB-CD2 4.11Å; A428-L471 HydrophobicContact CB-CG 4.38Å; Y431-L471 HydrophobicContact CD1-CD2 3.89Å; Y431-L471 HydrophobicContact CG-CD2 4.25Å; T433-L471 WeakPolarHBondContact CB-O 3.44Å; T433-L471 VanDerWaalsContact CG2-O 3.3Å; T433-L471 WeakPolarHBondContact CG2-O 3.29Å; T433-L471 PolarHBondContact OG1-O 3.39Å; A439-L471 HydrophobicContact CB-CB 4.39Å; A439-L471 HydrophobicContact CB-CD2 4.46Å; L440-L471 HydrophobicContact CD2-CD1 3.75Å; L440-L471 HydrophobicContact CG-CB 4.46Å; L440-L471 HydrophobicContact CG-CD1 4.46Å; F444-L471 HydrophobicContact CE1-CD1 3.83Å; F444-L471 HydrophobicContact CZ-CD1 4.29Å; I467-L471 HydrophobicContact CG2-CD1 3.99Å; I467-L471 WeakPolarHBondContact O-CG 3.41Å; I467-L471 PolarHBondContact O-N 2.9Å; I467-L471 VanDerWaalsContact O-N 3.09Å; L468-L471 PolarHBondContact O-N 3.49Å; H469-L471 VanDerWaalsContact C-N 3.27Å; H469-L471 PolarHBondContact O-N 2.74Å |
| 472 | I | 94.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -99.2 | -41.5 | -176.7 | -67.2 | 169.3 | 0 | 0 | 0 | 111.9 | I436 L440 L468 H469 R474 F516 L543 E547 M548 | I436-I472 HydrophobicContact CD1-CG2 4.15Å; I436-I472 HydrophobicContact CG2-CG1 4.43Å; L440-I472 HydrophobicContact CD1-CD1 4.11Å; L440-I472 HydrophobicContact CD1-CG1 3.85Å; L468-I472 HydrophobicContact CB-CD1 4.35Å; L468-I472 WeakPolarHBondContact O-CB 3.46Å; L468-I472 VanDerWaalsContact O-CG1 3.24Å; L468-I472 WeakPolarHBondContact O-CG1 3.5Å; L468-I472 PolarHBondContact O-N 3.19Å; H469-I472 PolarHBondContact O-N 3.34Å; I472-R474 PolarHBondContact O-N 3.27Å; I472-F516 HydrophobicContact CD1-CE1 3.99Å; I472-F516 HydrophobicContact CD1-CZ 4.2Å; I472-L543 HydrophobicContact CG2-CB 3.93Å; I472-E547 HydrophobicContact CG2-CB 4.14Å; I472-E547 HydrophobicContact CG2-CG 4.1Å; I472-M548 HydrophobicContact CD1-CE 4.29Å; I472-M548 HydrophobicContact CG2-CE 4.05Å |
| 473 | D | 94.8 | Very high | 94.8 | Very high | 25 Ų | 25 | 30.6 Ų | 30.6 | 13% | 0.134 | 17% | 0.166 | C | C | . | . | trans | -75.9 | 92.8 | -170.4 | -173.6 | 16.2 | 0 | 0 | 0 | 112.5 | H469 H475 G476 N477 T478 L543 | H469-D473 WeakPolarHBondContact O-CB 3.31Å; H469-D473 PolarHBondContact O-N 3Å; D473-H475 VanDerWaalsContact C-N 3.32Å; D473-H475 PolarHBondContact OD1-N 3.4Å; D473-G476 PolarHBondContact OD1-N 3.49Å; D473-G476 WeakPolarHBondContact OD2-CA 3.28Å; D473-G476 PolarHBondContact OD2-N 2.93Å; D473-N477 VanDerWaalsContact CG-N 3.27Å; D473-N477 PolarHBondContact OD1-N 2.74Å; D473-N477 PolarHBondContact OD2-N 3.47Å; D473-T478 WeakPolarHBondContact CB-OG1 3.27Å; D473-T478 VanDerWaalsContact OD2-CB 3.27Å; D473-T478 WeakPolarHBondContact OD2-CB 3.39Å; D473-T478 PolarHBondContact OD2-N 2.9Å; D473-T478 PolarHBondContact OD2-OG1 3.24Å; D473-L543 HydrophobicContact CB-CD1 4.08Å; D473-L543 HydrophobicContact CB-CD2 3.66Å | ||
| 474 | R | 92.8 | Very high | 94.9 | Very high | 56 Ų | 56 | 30.9 Ų | 30.9 | 21% | 0.211 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -75.7 | -25.6 | 178 | -70.2 | -178 | -66.9 | -154.4 | -12.1 | 112.5 | T433 V434 I472 E502 D505 E547 | T433-R474 HydrophobicContact CG2-CG 3.9Å; V434-R474 PolarHBondContact O-NH1 2.91Å; I472-R474 PolarHBondContact O-N 3.27Å; R474-E502 IonicContact NH1-OE2 3.49Å; R474-D505 IonicContact CZ-OD2 3.98Å; R474-D505 VanDerWaalsContact CZ-OD2 3.29Å; R474-D505 IonicContact NH1-OD2 2.97Å; R474-D505 PolarHBondContact NH1-OD2 3.43Å; R474-D505 IonicContact NH2-OD2 2.79Å; R474-D505 PolarHBondContact NH2-OD2 2.83Å; R474-D505 VanDerWaalsContact NH2-OD2 3.17Å; R474-E547 IonicContact CZ-OE2 3.29Å; R474-E547 PolarHBondContact N-OE1 2.83Å; R474-E547 IonicContact NE-OE2 3.29Å; R474-E547 PolarHBondContact NE-OE2 3.47Å; R474-E547 PolarHBondContact NH2-O 3.36Å; R474-E547 IonicContact NH2-OE2 3.25Å; R474-E547 PolarHBondContact NH2-OE2 3.04Å |
| 475 | H | 93.2 | Very high | 94.9 | Very high | 35 Ų | 35 | 34.3 Ų | 34.3 | 16% | 0.162 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -109.1 | 1.7 | -168.1 | -52.7 | 100.3 | 0 | 0 | 0 | 113.9 | D473 I497 E499 E547 | D473-H475 VanDerWaalsContact C-N 3.32Å; D473-H475 PolarHBondContact OD1-N 3.4Å; H475-I497 HydrophobicContact CB-CB 3.92Å; H475-I497 HydrophobicContact CB-CG2 3.88Å; H475-I497 WeakPolarHBondContact O-CD1 3.19Å; H475-E499 IonicContact CD2-OE1 2.69Å; H475-E499 WeakPolarHBondContact NE2-CG 3.34Å; H475-E499 IonicContact NE2-OE1 2.71Å; H475-E499 IonicContact NE2-OE2 3.17Å; H475-E499 PolarHBondContact NE2-OE2 2.98Å; H475-E547 IonicContact CE1-OE1 3.09Å; H475-E547 IonicContact CE1-OE2 2.65Å; H475-E547 PolarHBondContact CE1-OE2 3.11Å; H475-E547 IonicContact CG-OE1 3.84Å; H475-E547 VanDerWaalsContact ND1-CD 3.34Å; H475-E547 IonicContact ND1-OE1 2.72Å; H475-E547 PolarHBondContact ND1-OE1 2.92Å; H475-E547 IonicContact ND1-OE2 3.63Å; H475-E547 PolarHBondContact ND1-OE2 2.84Å |
| 476 | G | 93.4 | Very high | 94.9 | Very high | 53 Ų | 53 | 36.2 Ų | 36.2 | 55% | 0.546 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 72.7 | 31.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D473 T478 | D473-G476 PolarHBondContact OD1-N 3.49Å; D473-G476 WeakPolarHBondContact OD2-CA 3.28Å; D473-G476 PolarHBondContact OD2-N 2.93Å; G476-T478 VanDerWaalsContact C-N 3.33Å |
| 477 | N | 95.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | trans | -79.6 | -11.3 | 179.2 | -70.5 | -44.8 | 0 | 0 | 0 | 113.5 | D473 E479 Q480 L481 F496 I497 L543 L546 | D473-N477 VanDerWaalsContact CG-N 3.27Å; D473-N477 PolarHBondContact OD1-N 2.74Å; D473-N477 PolarHBondContact OD2-N 3.47Å; N477-E479 PolarHBondContact O-N 3.01Å; N477-Q480 PolarHBondContact O-N 3.17Å; N477-L481 HydrophobicContact CB-CD1 4.1Å; N477-L481 HydrophobicContact CB-CG 4.46Å; N477-L481 WeakPolarHBondContact O-CB 3.15Å; N477-L481 WeakPolarHBondContact O-CG 3.3Å; N477-L481 PolarHBondContact O-N 3.01Å; N477-F496 HydrophobicContact CB-CD1 4.04Å; N477-F496 WeakPolarHBondContact OD1-CA 3.4Å; N477-F496 WeakPolarHBondContact OD1-CB 3.4Å; N477-I497 PolarHBondContact ND2-O 3.33Å; N477-I497 VanDerWaalsContact ND2-O 3.1Å; N477-I497 PolarHBondContact OD1-N 3.44Å; N477-L543 HydrophobicContact CB-CD2 4.42Å; N477-L546 HydrophobicContact CB-CD1 4.3Å | ||
| 478 | T | 95.9 | Very high | 94.3 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 17% | 0.166 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53.9 | -49.6 | -174.4 | -63.6 | 0 | 0 | 0 | 0 | 112.7 | H469 D473 G476 Q480 L481 L482 | H469-T478 HydrophobicContact CB-CG2 4.05Å; D473-T478 WeakPolarHBondContact CB-OG1 3.27Å; D473-T478 VanDerWaalsContact OD2-CB 3.27Å; D473-T478 WeakPolarHBondContact OD2-CB 3.39Å; D473-T478 PolarHBondContact OD2-N 2.9Å; D473-T478 PolarHBondContact OD2-OG1 3.24Å; G476-T478 VanDerWaalsContact C-N 3.33Å; T478-Q480 VanDerWaalsContact C-N 3.26Å; T478-Q480 PolarHBondContact O-N 2.73Å; T478-L481 PolarHBondContact O-N 2.65Å; T478-L481 VanDerWaalsContact O-N 3.13Å; T478-L482 HydrophobicContact CG2-CD1 4.04Å; T478-L482 HydrophobicContact CG2-CG 4.28Å; T478-L482 WeakPolarHBondContact O-CG 3.37Å; T478-L482 PolarHBondContact O-N 2.97Å |
| 479 | E | 94 | Very high | 93.4 | Very high | 157 Ų | 157 | 42.2 Ų | 42.2 | 73% | 0.734 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -58.3 | -38.7 | -178.2 | -67.1 | -173.9 | 172 | 0 | 0 | 112.4 | N477 | N477-E479 PolarHBondContact O-N 3.01Å |
| 480 | Q | 94.5 | Very high | 92.3 | Very high | 78 Ų | 78 | 48.1 Ų | 48.1 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -75.8 | -36.3 | 178.8 | -63.2 | -60.6 | -32.2 | 0 | 0 | 112 | N477 T478 T483 F496 | N477-Q480 PolarHBondContact O-N 3.17Å; T478-Q480 VanDerWaalsContact C-N 3.26Å; T478-Q480 PolarHBondContact O-N 2.73Å; Q480-T483 PolarHBondContact O-N 2.84Å; Q480-F496 HydrophobicContact CB-CD1 4.13Å; Q480-F496 HydrophobicContact CB-CE1 3.67Å |
| 481 | L | 96.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.1 | -26.4 | 179.9 | -78.3 | 176.1 | 0 | 0 | 0 | 113.9 | N477 T478 T483 F496 C539 L543 L546 L593 | N477-L481 HydrophobicContact CB-CD1 4.1Å; N477-L481 HydrophobicContact CB-CG 4.46Å; N477-L481 WeakPolarHBondContact O-CB 3.15Å; N477-L481 WeakPolarHBondContact O-CG 3.3Å; N477-L481 PolarHBondContact O-N 3.01Å; T478-L481 PolarHBondContact O-N 2.65Å; T478-L481 VanDerWaalsContact O-N 3.13Å; L481-T483 PolarHBondContact O-N 3.27Å; L481-F496 HydrophobicContact CD2-CD1 4.48Å; L481-F496 HydrophobicContact CD2-CE1 3.58Å; L481-F496 HydrophobicContact CD2-CE2 4.39Å; L481-F496 HydrophobicContact CD2-CZ 3.51Å; L481-F496 HydrophobicContact CG-CD1 4.36Å; L481-F496 HydrophobicContact CG-CE1 3.63Å; L481-F496 HydrophobicContact CG-CZ 4.12Å; L481-C539 HydrophobicContact CB-CB 4.04Å; L481-C539 VanDerWaalsContact CB-SG 3.55Å; L481-L543 HydrophobicContact CD1-CB 4.45Å; L481-L543 HydrophobicContact CD1-CD2 3.55Å; L481-L543 HydrophobicContact CD1-CG 3.64Å; L481-L546 HydrophobicContact CD1-CD1 4.14Å; L481-L546 HydrophobicContact CD2-CD1 4.3Å; L481-L546 HydrophobicContact CG-CD1 4.5Å; L481-L593 HydrophobicContact CD2-CD2 4.46Å |
| 482 | L | 95.9 | Very high | 91.5 | Very high | 42 Ų | 42 | 47.8 Ų | 47.8 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -22.9 | 173.6 | -75 | 170 | 0 | 0 | 0 | 112.5 | T478 V484 E535 Y536 C539 | T478-L482 HydrophobicContact CG2-CD1 4.04Å; T478-L482 HydrophobicContact CG2-CG 4.28Å; T478-L482 WeakPolarHBondContact O-CG 3.37Å; T478-L482 PolarHBondContact O-N 2.97Å; L482-V484 PolarHBondContact O-N 3.49Å; L482-E535 WeakPolarHBondContact O-CB 3.09Å; L482-E535 WeakPolarHBondContact O-CG 3.45Å; L482-Y536 HydrophobicContact CD1-CE1 4.35Å; L482-Y536 HydrophobicContact CD2-CD1 3.54Å; L482-Y536 HydrophobicContact CD2-CD2 4.48Å; L482-Y536 HydrophobicContact CD2-CE1 3.63Å; L482-Y536 HydrophobicContact CD2-CG 3.96Å; L482-C539 HydrophobicContact CD2-CB 3.92Å; L482-C539 HydrophobicContact CG-CB 4.31Å |
| 483 | T | 94.4 | Very high | 91.2 | Very high | 65 Ų | 65 | 51.9 Ų | 51.9 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -88.3 | 99 | 174.7 | -50.2 | 0 | 0 | 0 | 0 | 111.2 | Q480 L481 R485 | Q480-T483 PolarHBondContact O-N 2.84Å; L481-T483 PolarHBondContact O-N 3.27Å; T483-R485 PolarHBondContact O-N 3.41Å; T483-R485 VanDerWaalsContact O-N 3.15Å; T483-R485 PolarHBondContact O-NE 2.98Å; T483-R485 PolarHBondContact OG1-NH2 3.37Å |
| 484 | V | 95.6 | Very high | 90.8 | Very high | 11 Ų | 11 | 56.1 Ų | 56.1 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | trans | -62.1 | 116.7 | 175.7 | -172 | 0 | 0 | 0 | 0 | 110.2 | L482 E535 P623 F627 | L482-V484 PolarHBondContact O-N 3.49Å; V484-E535 HydrophobicContact CG2-CG 4.14Å; V484-P623 HydrophobicContact CB-CB 4.46Å; V484-P623 HydrophobicContact CG1-CB 4.05Å; V484-P623 HydrophobicContact CG1-CG 3.96Å; V484-P623 WeakPolarHBondContact O-CB 3.3Å; V484-F627 HydrophobicContact CB-CD1 4.21Å; V484-F627 HydrophobicContact CB-CD2 4.08Å; V484-F627 HydrophobicContact CB-CE1 4.24Å; V484-F627 HydrophobicContact CB-CE2 4.1Å; V484-F627 HydrophobicContact CB-CG 4.14Å; V484-F627 HydrophobicContact CB-CZ 4.19Å; V484-F627 HydrophobicContact CG1-CD2 4.08Å; V484-F627 HydrophobicContact CG1-CE2 3.8Å; V484-F627 HydrophobicContact CG1-CZ 4.12Å; V484-F627 HydrophobicContact CG2-CD1 3.94Å; V484-F627 HydrophobicContact CG2-CD2 4.5Å; V484-F627 HydrophobicContact CG2-CE1 3.63Å; V484-F627 HydrophobicContact CG2-CE2 4.23Å; V484-F627 HydrophobicContact CG2-CG 4.37Å; V484-F627 HydrophobicContact CG2-CZ 3.79Å | ||
| 485 | R | 95 | Very high | 90.6 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 28% | 0.275 | 31% | 0.313 | S | S | . | . | trans | -148.9 | 159.8 | -175.8 | 66.3 | -177.1 | 71.3 | 178 | 2.8 | 112.1 | T483 Y487 S589 | T483-R485 PolarHBondContact O-N 3.41Å; T483-R485 VanDerWaalsContact O-N 3.15Å; T483-R485 PolarHBondContact O-NE 2.98Å; T483-R485 PolarHBondContact OG1-NH2 3.37Å; R485-Y487 HydrophobicContact CG-CD1 4.39Å; R485-Y487 HydrophobicContact CG-CE1 3.88Å; R485-S589 PolarHBondContact N-OG 3.18Å; R485-S589 WeakPolarHBondContact O-CA 3.21Å; R485-S589 WeakPolarHBondContact O-CB 3.46Å; R485-S589 PolarHBondContact O-OG 2.87Å | ||
| 486 | I | 95.5 | Very high | 90.7 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 120.7 | 170.7 | -59.4 | -54.2 | 0 | 0 | 0 | 108.5 | A588 T592 Y608 I611 L622 P623 | I486-A588 HydrophobicContact CD1-CB 3.63Å; I486-T592 HydrophobicContact CG2-CG2 4.19Å; I486-Y608 HydrophobicContact CG2-CE1 4.37Å; I486-I611 HydrophobicContact CD1-CD1 4.23Å; I486-I611 HydrophobicContact CG2-CD1 3.91Å; I486-I611 HydrophobicContact CG2-CG2 4.29Å; I486-L622 HydrophobicContact CD1-CD2 4.45Å; I486-P623 HydrophobicContact CD1-CG 4.03Å; I486-P623 HydrophobicContact CG1-CG 4.27Å |
| 487 | Y | 92.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 128.8 | 173.9 | -56.9 | -80.6 | 0 | 0 | 0 | 108.6 | R485 L492 Y495 F496 T592 L593 Q596 Y608 | R485-Y487 HydrophobicContact CG-CD1 4.39Å; R485-Y487 HydrophobicContact CG-CE1 3.88Å; Y487-L492 HydrophobicContact CD1-CD2 3.98Å; Y487-L492 HydrophobicContact CG-CD2 4Å; Y487-Y495 HydrophobicContact CD1-CD1 4.44Å; Y487-Y495 HydrophobicContact CD1-CD2 4.03Å; Y487-Y495 HydrophobicContact CD1-CE2 4.22Å; Y487-Y495 HydrophobicContact CD1-CG 4.13Å; Y487-Y495 HydrophobicContact CE1-CD1 4.42Å; Y487-Y495 HydrophobicContact CE1-CG 4.25Å; Y487-F496 HydrophobicContact CD1-CE2 4.18Å; Y487-F496 AromaticContact CE1-CE2 3.53Å; Y487-F496 HydrophobicContact CE1-CE2 3.53Å; Y487-F496 AromaticContact CE1-CZ 3.54Å; Y487-F496 HydrophobicContact CE1-CZ 3.54Å; Y487-F496 AromaticContact CZ-CE2 3.95Å; Y487-F496 AromaticContact CZ-CZ 3.76Å; Y487-F496 WeakPolarHBondContact OH-CZ 3.25Å; Y487-T592 PolarHBondContact N-OG1 3.38Å; Y487-L593 HydrophobicContact CD2-CB 3.82Å; Y487-L593 HydrophobicContact CE2-CB 3.8Å; Y487-L593 HydrophobicContact CE2-CD1 4.32Å; Y487-Q596 PolarHBondContact O-NE2 3.31Å; Y487-Y608 WeakPolarHBondContact O-CE1 3.46Å; Y487-Y608 PolarHBondContact O-OH 3.17Å |
| 488 | G | 84.6 | Confident | 90.4 | Very high | 24 Ų | 24 | 61 Ų | 61 | 25% | 0.247 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -96.4 | 169.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N490 Q596 | G488-N490 PolarHBondContact O-N 3.04Å; G488-Q596 PolarHBondContact O-NE2 3.11Å; G488-Q596 PolarHBondContact O-OE1 2.97Å |
| 489 | E | 75.9 | Confident | 90.1 | Very high | 142 Ų | 142 | 65.6 Ų | 65.6 | 66% | 0.664 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -4.7 | -172 | -61.6 | -178.9 | 171.2 | 0 | 0 | 116 | G491 Y608 | E489-G491 PolarHBondContact O-N 3.15Å; E489-Y608 HydrophobicContact CG-CE2 3.99Å |
| 490 | N | 74.5 | Confident | 89.8 | Confident | 127 Ų | 127 | 67.3 Ų | 67.3 | 68% | 0.679 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 8.8 | -177.2 | -64 | -17.8 | 0 | 0 | 0 | 114.7 | G488 N494 | G488-N490 PolarHBondContact O-N 3.04Å; N490-N494 PolarHBondContact O-ND2 3.4Å |
| 491 | G | 80.5 | Confident | 89.5 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 28% | 0.278 | 34% | 0.342 | S | S | . | . | trans | 79.6 | 141.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E489 S493 N494 | E489-G491 PolarHBondContact O-N 3.15Å; G491-S493 PolarHBondContact O-N 2.88Å; G491-N494 PolarHBondContact O-N 3.03Å | ||
| 492 | L | 91.1 | Very high | 89.2 | Confident | 7 Ų | 7 | 69.2 Ų | 69.2 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -67 | -19.9 | -178.2 | -70 | 178 | 0 | 0 | 0 | 114.2 | Y487 N494 Y495 F496 L498 L593 Q596 L597 | Y487-L492 HydrophobicContact CD1-CD2 3.98Å; Y487-L492 HydrophobicContact CG-CD2 4Å; L492-N494 PolarHBondContact O-N 3.33Å; L492-N494 VanDerWaalsContact O-N 3.13Å; L492-Y495 PolarHBondContact O-N 3.06Å; L492-F496 HydrophobicContact CB-CD2 4.36Å; L492-F496 HydrophobicContact CD2-CD2 4.31Å; L492-F496 HydrophobicContact CD2-CE2 4.17Å; L492-F496 PolarHBondContact O-N 3.37Å; L492-L498 HydrophobicContact CB-CD1 3.8Å; L492-L498 HydrophobicContact CB-CD2 4.42Å; L492-L593 HydrophobicContact CD1-CD1 3.84Å; L492-L593 HydrophobicContact CD2-CD1 3.71Å; L492-L593 HydrophobicContact CG-CD1 4.43Å; L492-Q596 HydrophobicContact CD1-CB 3.82Å; L492-Q596 HydrophobicContact CD2-CB 4.06Å; L492-Q596 VanDerWaalsContact CD2-OE1 3.23Å; L492-Q596 HydrophobicContact CG-CB 3.65Å; L492-L597 HydrophobicContact CD1-CB 3.79Å; L492-L597 HydrophobicContact CD1-CD1 4.18Å |
| 493 | S | 88.9 | Confident | 88.9 | Confident | 88 Ų | 88 | 77 Ų | 77 | 62% | 0.615 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -63.6 | -16.4 | 179.4 | 56 | 0 | 0 | 0 | 0 | 114 | G491 Y495 | G491-S493 PolarHBondContact O-N 2.88Å; S493-Y495 VanDerWaalsContact C-N 3.26Å |
| 494 | N | 87.1 | Confident | 88.7 | Confident | 114 Ų | 114 | 77.5 Ų | 77.5 | 61% | 0.61 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -77.9 | -14.4 | 172.8 | -67.9 | -28.1 | 0 | 0 | 0 | 112.9 | N490 G491 L492 | N490-N494 PolarHBondContact O-ND2 3.4Å; G491-N494 PolarHBondContact O-N 3.03Å; L492-N494 PolarHBondContact O-N 3.33Å; L492-N494 VanDerWaalsContact O-N 3.13Å |
| 495 | Y | 88.2 | Confident | 88.5 | Confident | 62 Ų | 62 | 77 Ų | 77 | 24% | 0.243 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -35.8 | -177 | -58.4 | -82.6 | 0 | 0 | 0 | 111.8 | Y487 L492 S493 | Y487-Y495 HydrophobicContact CD1-CD1 4.44Å; Y487-Y495 HydrophobicContact CD1-CD2 4.03Å; Y487-Y495 HydrophobicContact CD1-CE2 4.22Å; Y487-Y495 HydrophobicContact CD1-CG 4.13Å; Y487-Y495 HydrophobicContact CE1-CD1 4.42Å; Y487-Y495 HydrophobicContact CE1-CG 4.25Å; L492-Y495 PolarHBondContact O-N 3.06Å; S493-Y495 VanDerWaalsContact C-N 3.26Å |
| 496 | F | 94.3 | Very high | 88.1 | Confident | 9 Ų | 9 | 75.6 Ų | 75.6 | 4% | 0.039 | 38% | 0.38 | C | S | . | . | trans | -133.6 | 152.3 | -167.7 | -53.4 | -59.6 | 0 | 0 | 0 | 112.9 | N477 Q480 L481 Y487 L492 L498 L546 L593 | N477-F496 HydrophobicContact CB-CD1 4.04Å; N477-F496 WeakPolarHBondContact OD1-CA 3.4Å; N477-F496 WeakPolarHBondContact OD1-CB 3.4Å; Q480-F496 HydrophobicContact CB-CD1 4.13Å; Q480-F496 HydrophobicContact CB-CE1 3.67Å; L481-F496 HydrophobicContact CD2-CD1 4.48Å; L481-F496 HydrophobicContact CD2-CE1 3.58Å; L481-F496 HydrophobicContact CD2-CE2 4.39Å; L481-F496 HydrophobicContact CD2-CZ 3.51Å; L481-F496 HydrophobicContact CG-CD1 4.36Å; L481-F496 HydrophobicContact CG-CE1 3.63Å; L481-F496 HydrophobicContact CG-CZ 4.12Å; Y487-F496 HydrophobicContact CD1-CE2 4.18Å; Y487-F496 AromaticContact CE1-CE2 3.53Å; Y487-F496 HydrophobicContact CE1-CE2 3.53Å; Y487-F496 AromaticContact CE1-CZ 3.54Å; Y487-F496 HydrophobicContact CE1-CZ 3.54Å; Y487-F496 AromaticContact CZ-CE2 3.95Å; Y487-F496 AromaticContact CZ-CZ 3.76Å; Y487-F496 WeakPolarHBondContact OH-CZ 3.25Å; L492-F496 HydrophobicContact CB-CD2 4.36Å; L492-F496 HydrophobicContact CD2-CD2 4.31Å; L492-F496 HydrophobicContact CD2-CE2 4.17Å; L492-F496 PolarHBondContact O-N 3.37Å; F496-L498 HydrophobicContact CB-CD2 3.87Å; F496-L498 HydrophobicContact CB-CG 4.36Å; F496-L498 PolarHBondContact O-N 3.14Å; F496-L546 HydrophobicContact CB-CD1 4.02Å; F496-L546 HydrophobicContact CD1-CD1 3.9Å; F496-L546 HydrophobicContact CD2-CD1 3.96Å; F496-L546 HydrophobicContact CE1-CD1 4.39Å; F496-L546 HydrophobicContact CE2-CD1 4.44Å; F496-L546 HydrophobicContact CG-CD1 3.67Å; F496-L593 HydrophobicContact CD2-CD1 4.3Å; F496-L593 HydrophobicContact CE2-CD1 3.74Å | ||
| 497 | I | 92.9 | Very high | 87.8 | Confident | 98 Ų | 98 | 78.2 Ų | 78.2 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | trans | -82 | 111.2 | 163.1 | -64.8 | 168.9 | 0 | 0 | 0 | 106.9 | H475 N477 | H475-I497 HydrophobicContact CB-CB 3.92Å; H475-I497 HydrophobicContact CB-CG2 3.88Å; H475-I497 WeakPolarHBondContact O-CD1 3.19Å; N477-I497 PolarHBondContact ND2-O 3.33Å; N477-I497 VanDerWaalsContact ND2-O 3.1Å; N477-I497 PolarHBondContact OD1-N 3.44Å | ||
| 498 | L | 90.5 | Very high | 87.7 | Confident | 81 Ų | 81 | 78.8 Ų | 78.8 | 42% | 0.424 | 40% | 0.396 | S | S | . | . | trans | -102.4 | 111.9 | -175.9 | -58.5 | 174.5 | 0 | 0 | 0 | 110 | L492 F496 L546 L597 | L492-L498 HydrophobicContact CB-CD1 3.8Å; L492-L498 HydrophobicContact CB-CD2 4.42Å; F496-L498 HydrophobicContact CB-CD2 3.87Å; F496-L498 HydrophobicContact CB-CG 4.36Å; F496-L498 PolarHBondContact O-N 3.14Å; L498-L546 HydrophobicContact CD2-CD2 3.59Å; L498-L597 HydrophobicContact CD2-CD1 4.38Å | ||
| 499 | E | 89.6 | Confident | 88 | Confident | 124 Ų | 124 | 77.7 Ų | 77.7 | 58% | 0.579 | 38% | 0.384 | S | S | * | . | trans | -116.5 | 155.9 | 168.2 | -64.7 | -161.4 | -174.7 | 0 | 0 | 110.3 | H475 | H475-E499 IonicContact CD2-OE1 2.69Å; H475-E499 WeakPolarHBondContact NE2-CG 3.34Å; H475-E499 IonicContact NE2-OE1 2.71Å; H475-E499 IonicContact NE2-OE2 3.17Å; H475-E499 PolarHBondContact NE2-OE2 2.98Å | ||
| 500 | K | 87.4 | Confident | 88.5 | Confident | 193 Ų | 193 | 75.4 Ų | 75.4 | 84% | 0.839 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 132.4 | 177.8 | -73.9 | -175.9 | 176 | -178.3 | 0 | 109.3 | E502 | K500-E502 PolarHBondContact O-N 3.36Š|
| 501 | P | 89 | Confident | 89 | Confident | 35 Ų | 35 | 76 Ų | 76 | 23% | 0.227 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 133.6 | 175 | -28.1 | 35.3 | 0 | 0 | 0 | 112 | I506 | P501-I506 HydrophobicContact CB-CD1 4.31Å; P501-I506 HydrophobicContact CB-CG1 4.08Å |
| 502 | E | 89.5 | Confident | 89.2 | Confident | 86 Ų | 86 | 75 Ų | 75 | 40% | 0.402 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 146.6 | 179.5 | -62.7 | -166 | 155.7 | 0 | 0 | 111.4 | R474 K500 Q504 D505 I506 | R474-E502 IonicContact NH1-OE2 3.49Å; K500-E502 PolarHBondContact O-N 3.36Å; E502-Q504 HydrophobicContact CB-CG 4.17Å; E502-Q504 PolarHBondContact O-N 3.46Å; E502-Q504 PolarHBondContact OE2-NE2 2.91Å; E502-D505 PolarHBondContact O-N 3.4Å; E502-I506 WeakPolarHBondContact O-CG1 3.38Å; E502-I506 PolarHBondContact O-N 3.32Å; E502-I506 VanDerWaalsContact O-N 3.08Å |
| 503 | R | 89.8 | Confident | 88.9 | Confident | 205 Ų | 205 | 74.7 Ų | 74.7 | 77% | 0.774 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -52.7 | -36.3 | -178.3 | -179.9 | 176.5 | 174.8 | 155.5 | -0 | 113.2 | L507 | R503-L507 HydrophobicContact CG-CD1 4.28Å; R503-L507 VanDerWaalsContact O-CG 3.3Å; R503-L507 WeakPolarHBondContact O-CG 3.34Å; R503-L507 PolarHBondContact O-N 2.95Å |
| 504 | Q | 90 | Very high | 88.7 | Confident | 76 Ų | 76 | 71.2 Ų | 71.2 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.3 | -36.3 | 179.1 | 60.7 | -174.9 | -14.7 | 0 | 0 | 113 | A435 E502 L507 F508 | A435-Q504 HydrophobicContact CB-CG 4.24Å; A435-Q504 VanDerWaalsContact CB-NE2 3.27Å; E502-Q504 HydrophobicContact CB-CG 4.17Å; E502-Q504 PolarHBondContact O-N 3.46Å; E502-Q504 PolarHBondContact OE2-NE2 2.91Å; Q504-L507 PolarHBondContact O-N 3.23Å; Q504-F508 WeakPolarHBondContact O-CB 3.16Å; Q504-F508 PolarHBondContact O-N 3.42Å |
| 505 | D | 90.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -74.1 | -34.4 | 178 | -56.4 | -38.8 | 0 | 0 | 0 | 110.8 | I436 R474 E502 F508 M509 M548 | I436-D505 HydrophobicContact CD1-CB 4.46Å; I436-D505 PolarHBondContact N-OD1 3.46Å; R474-D505 IonicContact CZ-OD2 3.98Å; R474-D505 VanDerWaalsContact CZ-OD2 3.29Å; R474-D505 IonicContact NH1-OD2 2.97Å; R474-D505 PolarHBondContact NH1-OD2 3.43Å; R474-D505 IonicContact NH2-OD2 2.79Å; R474-D505 PolarHBondContact NH2-OD2 2.83Å; R474-D505 VanDerWaalsContact NH2-OD2 3.17Å; E502-D505 PolarHBondContact O-N 3.4Å; D505-F508 WeakPolarHBondContact O-CB 3.33Å; D505-F508 PolarHBondContact O-N 2.99Å; D505-M509 PolarHBondContact O-N 3.26Å; D505-M548 HydrophobicContact CB-CG 4.25Å |
| 506 | I | 88.1 | Confident | 88.4 | Confident | 45 Ų | 45 | 63.8 Ų | 63.8 | 23% | 0.231 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 170.5 | -59.2 | 177.9 | 0 | 0 | 0 | 110.5 | P501 E502 F508 M509 K510 A550 | P501-I506 HydrophobicContact CB-CD1 4.31Å; P501-I506 HydrophobicContact CB-CG1 4.08Å; E502-I506 WeakPolarHBondContact O-CG1 3.38Å; E502-I506 PolarHBondContact O-N 3.32Å; E502-I506 VanDerWaalsContact O-N 3.08Å; I506-F508 VanDerWaalsContact C-N 3.31Å; I506-F508 PolarHBondContact O-N 3.24Å; I506-M509 PolarHBondContact O-N 2.81Å; I506-K510 WeakPolarHBondContact O-CG 3.29Å; I506-K510 PolarHBondContact O-N 2.94Å; I506-A550 HydrophobicContact CB-CB 4.21Å; I506-A550 HydrophobicContact CD1-CB 4.02Å; I506-A550 HydrophobicContact CG1-CB 3.85Å; I506-A550 HydrophobicContact CG2-CB 3.52Å |
| 507 | L | 89.2 | Confident | 88.2 | Confident | 95 Ų | 95 | 63.4 Ų | 63.4 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | 177.2 | -71.9 | 172 | 0 | 0 | 0 | 112.1 | R503 Q504 K510 K511 | R503-L507 HydrophobicContact CG-CD1 4.28Å; R503-L507 VanDerWaalsContact O-CG 3.3Å; R503-L507 WeakPolarHBondContact O-CG 3.34Å; R503-L507 PolarHBondContact O-N 2.95Å; Q504-L507 PolarHBondContact O-N 3.23Å; L507-K510 WeakPolarHBondContact O-CB 3.29Å; L507-K510 PolarHBondContact O-N 2.85Å; L507-K511 PolarHBondContact O-N 2.97Å |
| 508 | F | 90.1 | Very high | 87.9 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.8 | -52.9 | 172.4 | 169.4 | -105.7 | 0 | 0 | 0 | 111 | I436 L440 L445 Q504 D505 I506 K510 K511 T512 F516 M548 | I436-F508 HydrophobicContact CG2-CD1 4.11Å; I436-F508 HydrophobicContact CG2-CE1 3.8Å; I436-F508 HydrophobicContact CG2-CZ 4.43Å; L440-F508 HydrophobicContact CB-CZ 4.09Å; L440-F508 WeakPolarHBondContact O-CE2 3.19Å; L440-F508 WeakPolarHBondContact O-CZ 3.5Å; L445-F508 HydrophobicContact CD2-CZ 4.18Å; Q504-F508 WeakPolarHBondContact O-CB 3.16Å; Q504-F508 PolarHBondContact O-N 3.42Å; D505-F508 WeakPolarHBondContact O-CB 3.33Å; D505-F508 PolarHBondContact O-N 2.99Å; I506-F508 VanDerWaalsContact C-N 3.31Å; I506-F508 PolarHBondContact O-N 3.24Å; F508-K510 PolarHBondContact O-N 3.26Å; F508-K511 WeakPolarHBondContact O-CA 3.28Å; F508-K511 PolarHBondContact O-N 2.71Å; F508-T512 HydrophobicContact CD2-CG2 4.16Å; F508-T512 WeakPolarHBondContact CD2-OG1 3.48Å; F508-T512 WeakPolarHBondContact CE1-OG1 3.32Å; F508-T512 HydrophobicContact CE2-CG2 3.73Å; F508-T512 WeakPolarHBondContact CE2-OG1 3.48Å; F508-T512 HydrophobicContact CZ-CG2 4.38Å; F508-T512 WeakPolarHBondContact CZ-OG1 3.49Å; F508-T512 PolarHBondContact O-N 3.41Å; F508-T512 PolarHBondContact O-OG1 2.94Å; F508-F516 AromaticContact CE1-CE2 3.7Å; F508-F516 HydrophobicContact CE1-CE2 3.7Å; F508-F516 HydrophobicContact CE1-CZ 4.4Å; F508-F516 AromaticContact CZ-CE2 3.82Å; F508-F516 HydrophobicContact CZ-CE2 3.82Å; F508-M548 HydrophobicContact CD1-SD 4.07Å; F508-M548 HydrophobicContact CE1-SD 4.17Å |
| 509 | M | 89.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61 | -30.1 | 176.5 | -77.2 | -57.9 | -70.2 | 0 | 0 | 113.2 | D505 I506 K511 G513 F516 V544 M548 V553 L760 | D505-M509 PolarHBondContact O-N 3.26Å; I506-M509 PolarHBondContact O-N 2.81Å; M509-K511 VanDerWaalsContact C-N 3.25Å; M509-K511 PolarHBondContact O-N 3.14Å; M509-G513 WeakPolarHBondContact O-CA 3.34Å; M509-G513 PolarHBondContact O-N 2.91Å; M509-F516 HydrophobicContact SD-CD2 4.04Å; M509-F516 HydrophobicContact SD-CE2 4.46Å; M509-V544 HydrophobicContact CE-CG1 3.9Å; M509-M548 HydrophobicContact CG-CB 3.63Å; M509-M548 HydrophobicContact CG-CG 4.21Å; M509-M548 HydrophobicContact CG-SD 3.76Å; M509-M548 HydrophobicContact SD-CB 4.49Å; M509-M548 HydrophobicContact SD-CE 4.1Å; M509-M548 HydrophobicContact SD-SD 3.81Å; M509-V553 HydrophobicContact CB-CG2 3.56Å; M509-V553 HydrophobicContact CE-CG1 3.89Å; M509-V553 HydrophobicContact CE-CG2 4.01Å; M509-V553 HydrophobicContact CG-CG2 3.99Å; M509-L760 WeakPolarHBondContact O-CD2 3.39Å |
| 510 | K | 86.5 | Confident | 88.1 | Confident | 94 Ų | 94 | 49.7 Ų | 49.7 | 41% | 0.409 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.4 | -35.3 | 170.8 | -74.2 | -171.5 | -179.2 | -161.1 | 0 | 113.5 | I506 L507 F508 L760 | I506-K510 WeakPolarHBondContact O-CG 3.29Å; I506-K510 PolarHBondContact O-N 2.94Å; L507-K510 WeakPolarHBondContact O-CB 3.29Å; L507-K510 PolarHBondContact O-N 2.85Å; F508-K510 PolarHBondContact O-N 3.26Å; K510-L760 VanDerWaalsContact CA-CD2 3.42Å; K510-L760 HydrophobicContact CB-CD2 4.36Å; K510-L760 HydrophobicContact CG-CD2 4.37Å |
| 511 | K | 85.6 | Confident | 88.4 | Confident | 141 Ų | 141 | 41.8 Ų | 41.8 | 61% | 0.613 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -87.4 | -43 | -177.9 | -170 | 178.6 | 180 | -176.4 | 0 | 112.6 | L507 F508 M509 | L507-K511 PolarHBondContact O-N 2.97Å; F508-K511 WeakPolarHBondContact O-CA 3.28Å; F508-K511 PolarHBondContact O-N 2.71Å; M509-K511 VanDerWaalsContact C-N 3.25Å; M509-K511 PolarHBondContact O-N 3.14Å |
| 512 | T | 84.9 | Confident | 88.4 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -115.2 | -6.3 | -169.5 | 58 | 0 | 0 | 0 | 0 | 114 | L445 F508 V514 L515 | L445-T512 HydrophobicContact CD2-CG2 4.31Å; F508-T512 HydrophobicContact CD2-CG2 4.16Å; F508-T512 WeakPolarHBondContact CD2-OG1 3.48Å; F508-T512 WeakPolarHBondContact CE1-OG1 3.32Å; F508-T512 HydrophobicContact CE2-CG2 3.73Å; F508-T512 WeakPolarHBondContact CE2-OG1 3.48Å; F508-T512 HydrophobicContact CZ-CG2 4.38Å; F508-T512 WeakPolarHBondContact CZ-OG1 3.49Å; F508-T512 PolarHBondContact O-N 3.41Å; F508-T512 PolarHBondContact O-OG1 2.94Å; T512-V514 PolarHBondContact O-N 3.26Å; T512-V514 VanDerWaalsContact O-N 3.16Å; T512-L515 VanDerWaalsContact O-CB 3.31Å; T512-L515 WeakPolarHBondContact O-CB 3.44Å; T512-L515 PolarHBondContact O-N 3.13Å |
| 513 | G | 84.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.2 | -32.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | M509 L515 F516 I517 | M509-G513 WeakPolarHBondContact O-CA 3.34Å; M509-G513 PolarHBondContact O-N 2.91Å; G513-L515 PolarHBondContact O-N 3.07Å; G513-F516 PolarHBondContact O-N 2.75Å; G513-F516 VanDerWaalsContact O-N 3.16Å; G513-I517 VanDerWaalsContact O-CG1 3.3Å; G513-I517 WeakPolarHBondContact O-CG1 3.15Å; G513-I517 PolarHBondContact O-N 3.48Å |
| 514 | V | 84.1 | Confident | 88.7 | Confident | 15 Ų | 15 | 28.5 Ų | 28.5 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.5 | -37.9 | 175.5 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | T512 F516 I517 E518 L760 L764 | T512-V514 PolarHBondContact O-N 3.26Å; T512-V514 VanDerWaalsContact O-N 3.16Å; V514-F516 VanDerWaalsContact C-N 3.35Å; V514-F516 PolarHBondContact O-N 3.04Å; V514-I517 PolarHBondContact O-N 2.95Å; V514-E518 VanDerWaalsContact CG1-CD 3.49Å; V514-E518 HydrophobicContact CG1-CG 3.79Å; V514-E518 WeakPolarHBondContact CG1-OE1 3.33Å; V514-E518 VanDerWaalsContact O-CB 3.27Å; V514-E518 WeakPolarHBondContact O-CB 3.39Å; V514-E518 WeakPolarHBondContact O-CG 3.4Å; V514-E518 PolarHBondContact O-N 3.02Å; V514-L760 HydrophobicContact CG2-CB 3.72Å; V514-L760 WeakPolarHBondContact CG2-O 3.28Å; V514-L764 HydrophobicContact CB-CD1 4.15Å; V514-L764 HydrophobicContact CB-CG 4.33Å; V514-L764 HydrophobicContact CG1-CD1 3.46Å; V514-L764 VanDerWaalsContact CG1-CD1 3.46Å; V514-L764 HydrophobicContact CG1-CG 4.17Å; V514-L764 HydrophobicContact CG2-CD1 4.37Å; V514-L764 HydrophobicContact CG2-CG 4.41Å |
| 515 | L | 83.4 | Confident | 88.8 | Confident | 17 Ų | 17 | 26 Ų | 26 | 9% | 0.089 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 178 | -62.6 | 169.8 | 0 | 0 | 0 | 111.6 | L445 N446 L449 R450 T512 G513 N519 Y675 | L445-L515 HydrophobicContact CD2-CB 4.42Å; L445-L515 HydrophobicContact CD2-CD1 4.21Å; N446-L515 WeakPolarHBondContact OD1-CD1 3.21Å; L449-L515 HydrophobicContact CD1-CB 4.24Å; R450-L515 VanDerWaalsContact NH2-CD2 3.34Å; T512-L515 VanDerWaalsContact O-CB 3.31Å; T512-L515 WeakPolarHBondContact O-CB 3.44Å; T512-L515 PolarHBondContact O-N 3.13Å; G513-L515 PolarHBondContact O-N 3.07Å; L515-N519 WeakPolarHBondContact O-CB 3.36Å; L515-N519 PolarHBondContact O-N 3.1Å; L515-N519 VanDerWaalsContact O-N 3.12Å; L515-Y675 WeakPolarHBondContact CA-OH 3.33Å; L515-Y675 PolarHBondContact O-OH 2.88Å |
| 516 | F | 86.2 | Confident | 88.7 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.4 | -52.9 | 175.6 | -84.2 | -79.1 | 0 | 0 | 0 | 111.3 | L440 L445 L449 L468 I472 F508 M509 G513 V514 N519 I520 | L440-F516 HydrophobicContact CD1-CZ 4Å; L445-F516 HydrophobicContact CD1-CD2 4.5Å; L445-F516 HydrophobicContact CD1-CE1 4Å; L445-F516 HydrophobicContact CD1-CE2 3.69Å; L445-F516 HydrophobicContact CD1-CZ 3.4Å; L445-F516 VanDerWaalsContact CD1-CZ 3.4Å; L445-F516 HydrophobicContact CD2-CD2 3.94Å; L445-F516 HydrophobicContact CD2-CE2 3.49Å; L445-F516 VanDerWaalsContact CD2-CE2 3.49Å; L445-F516 HydrophobicContact CD2-CZ 4.14Å; L445-F516 HydrophobicContact CG-CE2 4.23Å; L445-F516 HydrophobicContact CG-CZ 4.42Å; L449-F516 HydrophobicContact CD1-CD1 4.29Å; L449-F516 HydrophobicContact CD1-CG 4.42Å; L468-F516 HydrophobicContact CD2-CE1 4.2Å; I472-F516 HydrophobicContact CD1-CE1 3.99Å; I472-F516 HydrophobicContact CD1-CZ 4.2Å; F508-F516 AromaticContact CE1-CE2 3.7Å; F508-F516 HydrophobicContact CE1-CE2 3.7Å; F508-F516 HydrophobicContact CE1-CZ 4.4Å; F508-F516 AromaticContact CZ-CE2 3.82Å; F508-F516 HydrophobicContact CZ-CE2 3.82Å; M509-F516 HydrophobicContact SD-CD2 4.04Å; M509-F516 HydrophobicContact SD-CE2 4.46Å; G513-F516 PolarHBondContact O-N 2.75Å; G513-F516 VanDerWaalsContact O-N 3.16Å; V514-F516 VanDerWaalsContact C-N 3.35Å; V514-F516 PolarHBondContact O-N 3.04Å; F516-N519 PolarHBondContact O-N 2.97Å; F516-I520 WeakPolarHBondContact O-CB 3.36Å; F516-I520 WeakPolarHBondContact O-CD1 3.37Å; F516-I520 WeakPolarHBondContact O-CG1 3.19Å; F516-I520 PolarHBondContact O-N 3.4Å |
| 517 | I | 89.8 | Confident | 88.6 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.2 | -44.1 | -171.4 | -60 | -65.9 | 0 | 0 | 0 | 111.1 | G513 V514 I520 Y521 E556 L557 L560 Y671 | G513-I517 VanDerWaalsContact O-CG1 3.3Å; G513-I517 WeakPolarHBondContact O-CG1 3.15Å; G513-I517 PolarHBondContact O-N 3.48Å; V514-I517 PolarHBondContact O-N 2.95Å; I517-I520 PolarHBondContact O-N 3.35Å; I517-Y521 WeakPolarHBondContact O-CB 3.33Å; I517-Y521 PolarHBondContact O-N 2.77Å; I517-E556 HydrophobicContact CG1-CB 4.35Å; I517-L557 HydrophobicContact CD1-CD2 3.61Å; I517-L557 HydrophobicContact CD1-CG 4.35Å; I517-L560 HydrophobicContact CG2-CB 4.44Å; I517-Y671 HydrophobicContact CG2-CE1 3.54Å; I517-Y671 WeakPolarHBondContact CG2-OH 3.26Å |
| 518 | E | 87.6 | Confident | 88.6 | Confident | 11 Ų | 11 | 27.4 Ų | 27.4 | 5% | 0.051 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.3 | -41.8 | 175.5 | -73.8 | -175.3 | 169.2 | 0 | 0 | 111.6 | V514 I520 Y521 H522 Y671 Y675 | V514-E518 VanDerWaalsContact CG1-CD 3.49Å; V514-E518 HydrophobicContact CG1-CG 3.79Å; V514-E518 WeakPolarHBondContact CG1-OE1 3.33Å; V514-E518 VanDerWaalsContact O-CB 3.27Å; V514-E518 WeakPolarHBondContact O-CB 3.39Å; V514-E518 WeakPolarHBondContact O-CG 3.4Å; V514-E518 PolarHBondContact O-N 3.02Å; E518-I520 PolarHBondContact O-N 3.27Å; E518-Y521 WeakPolarHBondContact O-CB 3.43Å; E518-Y521 PolarHBondContact O-N 3.19Å; E518-H522 PolarHBondContact O-CD2 2.75Å; E518-H522 PolarHBondContact O-N 3.13Å; E518-Y671 HydrophobicContact CG-CD1 3.9Å; E518-Y675 HydrophobicContact CB-CD2 3.85Å; E518-Y675 HydrophobicContact CB-CE2 3.33Å; E518-Y675 HydrophobicContact CG-CE2 4.37Å; E518-Y675 VanDerWaalsContact OE2-CE2 3.31Å; E518-Y675 WeakPolarHBondContact OE2-CE2 3.47Å |
| 519 | N | 90.3 | Very high | 88.7 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 176.9 | -179.7 | -99.1 | 0 | 0 | 0 | 112.2 | L449 L515 F516 H522 Q523 Y675 | L449-N519 HydrophobicContact CB-CB 4.44Å; L449-N519 HydrophobicContact CD1-CB 4.29Å; L449-N519 PolarHBondContact O-ND2 3.11Å; L515-N519 WeakPolarHBondContact O-CB 3.36Å; L515-N519 PolarHBondContact O-N 3.1Å; L515-N519 VanDerWaalsContact O-N 3.12Å; F516-N519 PolarHBondContact O-N 2.97Å; N519-H522 PolarHBondContact O-N 3.24Å; N519-Q523 WeakPolarHBondContact O-CB 3.44Å; N519-Q523 WeakPolarHBondContact O-CG 3.44Å; N519-Q523 PolarHBondContact O-N 3.21Å; N519-Q523 PolarHBondContact OD1-NE2 2.76Å; N519-Y675 HydrophobicContact CB-CE1 4.08Å |
| 520 | I | 92.9 | Very high | 88.7 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 174.2 | -67.5 | 163.1 | 0 | 0 | 0 | 110.3 | F516 I517 E518 H522 Q523 L524 T540 V541 L560 | F516-I520 WeakPolarHBondContact O-CB 3.36Å; F516-I520 WeakPolarHBondContact O-CD1 3.37Å; F516-I520 WeakPolarHBondContact O-CG1 3.19Å; F516-I520 PolarHBondContact O-N 3.4Å; I517-I520 PolarHBondContact O-N 3.35Å; E518-I520 PolarHBondContact O-N 3.27Å; I520-H522 PolarHBondContact O-N 2.94Å; I520-Q523 PolarHBondContact O-N 3.12Å; I520-L524 HydrophobicContact CG2-CD1 3.72Å; I520-L524 HydrophobicContact CG2-CG 4.12Å; I520-L524 WeakPolarHBondContact O-CB 3.46Å; I520-L524 VanDerWaalsContact O-CG 3.26Å; I520-L524 WeakPolarHBondContact O-CG 3.32Å; I520-L524 PolarHBondContact O-N 2.97Å; I520-T540 HydrophobicContact CD1-CG2 4.04Å; I520-T540 HydrophobicContact CG1-CG2 4.33Å; I520-V541 HydrophobicContact CD1-CG2 4.27Å; I520-V541 HydrophobicContact CG2-CG2 3.63Å; I520-L560 HydrophobicContact CB-CD2 4.5Å; I520-L560 HydrophobicContact CG2-CD1 4.49Å; I520-L560 HydrophobicContact CG2-CD2 3.74Å |
| 521 | Y | 93.3 | Very high | 89 | Confident | 26 Ų | 26 | 30.2 Ų | 30.2 | 10% | 0.102 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.6 | -49.5 | 176.6 | 175.6 | -103.5 | 0 | 0 | 0 | 111.6 | I517 E518 L525 L560 A563 V564 Y671 | I517-Y521 WeakPolarHBondContact O-CB 3.33Å; I517-Y521 PolarHBondContact O-N 2.77Å; E518-Y521 WeakPolarHBondContact O-CB 3.43Å; E518-Y521 PolarHBondContact O-N 3.19Å; Y521-L525 HydrophobicContact CD1-CD1 4.15Å; Y521-L525 HydrophobicContact CD2-CD1 4.07Å; Y521-L525 HydrophobicContact CE1-CD1 3.65Å; Y521-L525 HydrophobicContact CE2-CD1 3.56Å; Y521-L525 HydrophobicContact CG-CD1 4.35Å; Y521-L525 WeakPolarHBondContact O-CG 3.25Å; Y521-L525 PolarHBondContact O-N 3.4Å; Y521-L560 HydrophobicContact CD2-CD1 4.06Å; Y521-L560 HydrophobicContact CG-CD1 4.36Å; Y521-A563 HydrophobicContact CD2-CB 4.25Å; Y521-A563 HydrophobicContact CE2-CB 3.79Å; Y521-V564 HydrophobicContact CD2-CG2 3.75Å; Y521-V564 HydrophobicContact CE2-CG2 4.1Å; Y521-Y671 HydrophobicContact CD1-CD2 4.16Å; Y521-Y671 HydrophobicContact CD1-CG 4.17Å; Y521-Y671 AromaticContact CD2-CD2 3.65Å; Y521-Y671 HydrophobicContact CD2-CD2 3.65Å; Y521-Y671 HydrophobicContact CD2-CE2 4.13Å; Y521-Y671 HydrophobicContact CD2-CG 4.44Å; Y521-Y671 HydrophobicContact CE1-CD2 4.42Å; Y521-Y671 AromaticContact CE2-CD2 3.94Å; Y521-Y671 HydrophobicContact CE2-CD2 3.94Å; Y521-Y671 AromaticContact CG-CD2 3.77Å; Y521-Y671 HydrophobicContact CG-CD2 3.77Å; Y521-Y671 HydrophobicContact CG-CE2 4.4Å; Y521-Y671 HydrophobicContact CG-CG 4.13Å |
| 522 | H | 88.9 | Confident | 89.4 | Confident | 42 Ų | 42 | 25.7 Ų | 25.7 | 19% | 0.194 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65 | -45.3 | 178.9 | -74 | -59.7 | 0 | 0 | 0 | 112.6 | E518 N519 I520 L525 D526 Y675 | E518-H522 PolarHBondContact O-CD2 2.75Å; E518-H522 PolarHBondContact O-N 3.13Å; N519-H522 PolarHBondContact O-N 3.24Å; I520-H522 PolarHBondContact O-N 2.94Å; H522-L525 PolarHBondContact O-N 3.09Å; H522-D526 PolarHBondContact O-N 3.05Å; H522-Y675 AromaticContact CD2-CD2 3.43Å; H522-Y675 VanDerWaalsContact CD2-CD2 3.43Å; H522-Y675 WeakPolarHBondContact CD2-CD2 3.34Å; H522-Y675 AromaticContact CD2-CG 3.55Å; H522-Y675 AromaticContact NE2-CD2 3.69Å; H522-Y675 AromaticContact NE2-CG 3.96Å |
| 523 | Q | 91.7 | Very high | 89.8 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.019 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 179.8 | -77 | -167.1 | 64.6 | 0 | 0 | 112.3 | A453 N519 I520 L525 D526 N529 L537 | A453-Q523 PolarHBondContact O-NE2 3.27Å; A453-Q523 PolarHBondContact O-OE1 3.21Å; N519-Q523 WeakPolarHBondContact O-CB 3.44Å; N519-Q523 WeakPolarHBondContact O-CG 3.44Å; N519-Q523 PolarHBondContact O-N 3.21Å; N519-Q523 PolarHBondContact OD1-NE2 2.76Å; I520-Q523 PolarHBondContact O-N 3.12Å; Q523-L525 PolarHBondContact O-N 2.72Å; Q523-D526 WeakPolarHBondContact O-CB 3.28Å; Q523-D526 PolarHBondContact O-N 3.43Å; Q523-N529 PolarHBondContact O-ND2 2.96Å; Q523-L537 HydrophobicContact CB-CD1 3.98Å; Q523-L537 HydrophobicContact CB-CD2 3.7Å; Q523-L537 HydrophobicContact CG-CD2 4.46Å |
| 524 | L | 94 | Very high | 90.3 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.4 | -38.6 | 177.7 | -75.8 | 171.7 | 0 | 0 | 0 | 111.9 | I520 D526 N529 L534 L537 V564 H579 L583 L586 | I520-L524 HydrophobicContact CG2-CD1 3.72Å; I520-L524 HydrophobicContact CG2-CG 4.12Å; I520-L524 WeakPolarHBondContact O-CB 3.46Å; I520-L524 VanDerWaalsContact O-CG 3.26Å; I520-L524 WeakPolarHBondContact O-CG 3.32Å; I520-L524 PolarHBondContact O-N 2.97Å; L524-D526 VanDerWaalsContact C-N 3.3Å; L524-D526 PolarHBondContact O-N 2.94Å; L524-N529 PolarHBondContact O-ND2 3.04Å; L524-L534 HydrophobicContact CD2-CD2 3.92Å; L524-L537 HydrophobicContact CD2-CB 3.88Å; L524-L537 HydrophobicContact CD2-CD1 4.02Å; L524-L537 HydrophobicContact CG-CD1 4.44Å; L524-V564 HydrophobicContact CD1-CG2 4.18Å; L524-H579 PolarHBondContact O-CE1 3.48Å; L524-H579 PolarHBondContact O-NE2 2.92Å; L524-L583 HydrophobicContact CB-CD2 4.1Å; L524-L583 HydrophobicContact CD2-CD2 4.02Å; L524-L586 HydrophobicContact CD2-CD1 3.71Å; L524-L586 HydrophobicContact CD2-CD2 4.31Å |
| 525 | L | 92 | Very high | 90.9 | Very high | 25 Ų | 25 | 26.1 Ų | 26.1 | 13% | 0.131 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -80.9 | -6.7 | -177.7 | -64.3 | 173.6 | 0 | 0 | 0 | 114.1 | Y521 H522 Q523 P527 V564 K567 M575 L583 | Y521-L525 HydrophobicContact CD1-CD1 4.15Å; Y521-L525 HydrophobicContact CD2-CD1 4.07Å; Y521-L525 HydrophobicContact CE1-CD1 3.65Å; Y521-L525 HydrophobicContact CE2-CD1 3.56Å; Y521-L525 HydrophobicContact CG-CD1 4.35Å; Y521-L525 WeakPolarHBondContact O-CG 3.25Å; Y521-L525 PolarHBondContact O-N 3.4Å; H522-L525 PolarHBondContact O-N 3.09Å; Q523-L525 PolarHBondContact O-N 2.72Å; L525-P527 WeakPolarHBondContact O-CD 3.42Å; L525-V564 HydrophobicContact CD2-CG1 4.28Å; L525-K567 HydrophobicContact CD1-CB 4.29Å; L525-K567 HydrophobicContact CD1-CG 3.73Å; L525-K567 HydrophobicContact CD2-CB 4.04Å; L525-K567 HydrophobicContact CD2-CG 3.78Å; L525-K567 HydrophobicContact CG-CG 4.39Å; L525-M575 HydrophobicContact CB-CE 4.48Å; L525-M575 HydrophobicContact CD2-CE 3.94Å; L525-L583 HydrophobicContact CD2-CD1 4.42Å |
| 526 | D | 89 | Confident | 91.6 | Very high | 42 Ų | 42 | 27.4 Ų | 27.4 | 23% | 0.225 | 14% | 0.143 | C | C | . | . | trans | -64.4 | 119.7 | 177.2 | -170.1 | -40.9 | 0 | 0 | 0 | 110.5 | R461 H522 Q523 L524 S528 N529 H579 | R461-D526 IonicContact CZ-OD2 2.71Å; R461-D526 IonicContact NH1-OD2 3.48Å; R461-D526 IonicContact NH2-OD2 2.93Å; H522-D526 PolarHBondContact O-N 3.05Å; Q523-D526 WeakPolarHBondContact O-CB 3.28Å; Q523-D526 PolarHBondContact O-N 3.43Å; L524-D526 VanDerWaalsContact C-N 3.3Å; L524-D526 PolarHBondContact O-N 2.94Å; D526-S528 VanDerWaalsContact CG-OG 3.27Å; D526-S528 PolarHBondContact O-N 3.38Å; D526-S528 VanDerWaalsContact OD1-CB 3.24Å; D526-S528 WeakPolarHBondContact OD1-CB 3.44Å; D526-S528 PolarHBondContact OD1-N 3.42Å; D526-S528 PolarHBondContact OD1-OG 3.45Å; D526-N529 WeakPolarHBondContact O-CB 3.36Å; D526-N529 VanDerWaalsContact O-CG 3.28Å; D526-N529 PolarHBondContact O-N 3.04Å; D526-N529 PolarHBondContact O-ND2 2.79Å; D526-H579 PolarHBondContact O-NE2 3.36Å; D526-H579 VanDerWaalsContact O-NE2 3.16Å | ||
| 527 | P | 87.3 | Confident | 92.1 | Very high | 78 Ų | 78 | 27.3 Ų | 27.3 | 51% | 0.506 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -12 | -176.5 | 30.3 | -36.2 | 0 | 0 | 0 | 113.7 | L525 N529 | L525-P527 WeakPolarHBondContact O-CD 3.42Å; P527-N529 PolarHBondContact O-N 2.84Å |
| 528 | S | 88.9 | Confident | 92.4 | Very high | 49 Ų | 49 | 27.6 Ų | 27.6 | 34% | 0.343 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -7.8 | 175.7 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | R461 D526 | R461-S528 PolarHBondContact NH1-OG 2.85Å; R461-S528 PolarHBondContact NH2-OG 3.47Å; D526-S528 VanDerWaalsContact CG-OG 3.27Å; D526-S528 PolarHBondContact O-N 3.38Å; D526-S528 VanDerWaalsContact OD1-CB 3.24Å; D526-S528 WeakPolarHBondContact OD1-CB 3.44Å; D526-S528 PolarHBondContact OD1-N 3.42Å; D526-S528 PolarHBondContact OD1-OG 3.45Å |
| 529 | N | 91.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 27 Ų | 27 | 7% | 0.07 | 14% | 0.142 | C | C | . | . | trans | -64.5 | 138.7 | 179.5 | -73.1 | -29.6 | 0 | 0 | 0 | 112.8 | R461 Q523 L524 D526 P527 N533 L534 H579 | R461-N529 PolarHBondContact NH2-OD1 3.47Å; Q523-N529 PolarHBondContact O-ND2 2.96Å; L524-N529 PolarHBondContact O-ND2 3.04Å; D526-N529 WeakPolarHBondContact O-CB 3.36Å; D526-N529 VanDerWaalsContact O-CG 3.28Å; D526-N529 PolarHBondContact O-N 3.04Å; D526-N529 PolarHBondContact O-ND2 2.79Å; P527-N529 PolarHBondContact O-N 2.84Å; N529-N533 PolarHBondContact OD1-ND2 2.97Å; N529-L534 HydrophobicContact CB-CD2 4.41Å; N529-L534 HydrophobicContact CB-CG 4.32Å; N529-H579 VanDerWaalsContact CB-CE1 3.47Å; N529-H579 WeakPolarHBondContact CB-CE1 3.26Å | ||
| 530 | K | 90.5 | Very high | 93.2 | Very high | 116 Ų | 116 | 27 Ų | 27 | 50% | 0.504 | 14% | 0.142 | S | C | . | . | trans | -106.3 | 170.8 | 163.3 | -71.1 | 178.3 | -174.4 | 176.5 | 0 | 109.1 | D532 N533 L534 | K530-D532 WeakPolarHBondContact CB-OD1 3.49Å; K530-D532 PolarHBondContact O-N 3.13Å; K530-N533 PolarHBondContact O-N 3.18Å; K530-L534 PolarHBondContact O-N 3.43Å; K530-L534 VanDerWaalsContact O-N 3.13Å | ||
| 531 | V | 92.8 | Very high | 93.3 | Very high | 41 Ų | 41 | 27 Ų | 27 | 25% | 0.248 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.9 | -32.2 | -176.3 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | L534 E535 A626 F627 | V531-L534 PolarHBondContact O-N 3.37Å; V531-E535 VanDerWaalsContact O-CG 3.28Å; V531-E535 WeakPolarHBondContact O-CG 2.91Å; V531-E535 PolarHBondContact O-N 3.12Å; V531-A626 WeakPolarHBondContact CG1-O 3.48Å; V531-F627 HydrophobicContact CB-CD1 3.99Å; V531-F627 HydrophobicContact CB-CE1 4.31Å; V531-F627 HydrophobicContact CG1-CD1 4.4Å |
| 532 | D | 93 | Very high | 93.5 | Very high | 45 Ų | 45 | 25.9 Ų | 25.9 | 24% | 0.241 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.2 | -51.6 | 173.5 | 56.1 | -11.5 | 0 | 0 | 0 | 111.7 | I462 K530 L534 E535 Y536 | I462-D532 HydrophobicContact CD1-CB 4.36Å; K530-D532 WeakPolarHBondContact CB-OD1 3.49Å; K530-D532 PolarHBondContact O-N 3.13Å; D532-L534 VanDerWaalsContact C-N 3.26Å; D532-L534 PolarHBondContact O-N 2.92Å; D532-E535 WeakPolarHBondContact O-CB 3.35Å; D532-E535 PolarHBondContact O-N 3.39Å; D532-E535 VanDerWaalsContact O-N 3.13Å; D532-Y536 WeakPolarHBondContact O-CD2 3.34Å; D532-Y536 PolarHBondContact O-N 3.23Å |
| 533 | N | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.7 | -34.4 | 177.2 | -164.8 | 38.2 | 0 | 0 | 0 | 111.9 | R461 I462 N529 K530 Y536 L537 | R461-N533 PolarHBondContact NE-ND2 3.11Å; I462-N533 HydrophobicContact CD1-CB 4.16Å; I462-N533 HydrophobicContact CG1-CB 3.96Å; I462-N533 WeakPolarHBondContact CG1-OD1 3.45Å; N529-N533 PolarHBondContact OD1-ND2 2.97Å; K530-N533 PolarHBondContact O-N 3.18Å; N533-Y536 PolarHBondContact O-N 3.03Å; N533-L537 WeakPolarHBondContact O-CG 3.43Å; N533-L537 PolarHBondContact O-N 3.34Å |
| 534 | L | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.2 | -34.8 | 174 | -70.9 | -179.9 | 0 | 0 | 0 | 113.2 | L524 N529 K530 V531 D532 Y536 L537 S538 A582 L583 L586 F627 | L524-L534 HydrophobicContact CD2-CD2 3.92Å; N529-L534 HydrophobicContact CB-CD2 4.41Å; N529-L534 HydrophobicContact CB-CG 4.32Å; K530-L534 PolarHBondContact O-N 3.43Å; K530-L534 VanDerWaalsContact O-N 3.13Å; V531-L534 PolarHBondContact O-N 3.37Å; D532-L534 VanDerWaalsContact C-N 3.26Å; D532-L534 PolarHBondContact O-N 2.92Å; L534-Y536 VanDerWaalsContact C-N 3.34Å; L534-L537 HydrophobicContact CD2-CD1 4.23Å; L534-L537 PolarHBondContact O-N 2.79Å; L534-S538 VanDerWaalsContact O-CB 3.28Å; L534-S538 WeakPolarHBondContact O-CB 3.38Å; L534-S538 PolarHBondContact O-N 2.97Å; L534-A582 HydrophobicContact CD1-CB 3.48Å; L534-A582 VanDerWaalsContact CD1-CB 3.48Å; L534-L583 HydrophobicContact CD2-CD2 3.81Å; L534-L586 HydrophobicContact CB-CD1 4.32Å; L534-L586 HydrophobicContact CD2-CD1 4.36Å; L534-L586 WeakPolarHBondContact O-CD1 3.3Å; L534-F627 HydrophobicContact CB-CE1 3.85Å; L534-F627 HydrophobicContact CB-CZ 4.02Å; L534-F627 HydrophobicContact CD1-CZ 4.49Å |
| 535 | E | 96.7 | Very high | 94 | Very high | 30 Ų | 30 | 23.7 Ų | 23.7 | 14% | 0.14 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 172 | -74.1 | 166.3 | 162 | 0 | 0 | 110.2 | L482 V484 V531 D532 S538 C539 F627 R629 | L482-E535 WeakPolarHBondContact O-CB 3.09Å; L482-E535 WeakPolarHBondContact O-CG 3.45Å; V484-E535 HydrophobicContact CG2-CG 4.14Å; V531-E535 VanDerWaalsContact O-CG 3.28Å; V531-E535 WeakPolarHBondContact O-CG 2.91Å; V531-E535 PolarHBondContact O-N 3.12Å; D532-E535 WeakPolarHBondContact O-CB 3.35Å; D532-E535 PolarHBondContact O-N 3.39Å; D532-E535 VanDerWaalsContact O-N 3.13Å; E535-S538 PolarHBondContact O-N 3.22Å; E535-C539 WeakPolarHBondContact O-CB 3.4Å; E535-C539 PolarHBondContact O-N 2.93Å; E535-F627 HydrophobicContact CG-CD1 3.69Å; E535-F627 HydrophobicContact CG-CE1 3.86Å; E535-R629 IonicContact OE2-NH2 4Å; E535-R629 PolarHBondContact OE2-NH2 2.99Å; E535-R629 VanDerWaalsContact OE2-NH2 3.16Å |
| 536 | Y | 97.2 | Very high | 94.1 | Very high | 43 Ų | 43 | 23 Ų | 23 | 17% | 0.169 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.5 | -41 | 176.6 | -73.3 | -81.5 | 0 | 0 | 0 | 112.9 | I462 Q465 K466 H469 L482 D532 N533 L534 C539 T540 | I462-Y536 HydrophobicContact CB-CD2 4.33Å; I462-Y536 HydrophobicContact CD1-CD2 4.43Å; I462-Y536 HydrophobicContact CG1-CD2 3.91Å; I462-Y536 HydrophobicContact CG1-CE2 4.36Å; I462-Y536 HydrophobicContact CG2-CD2 3.71Å; I462-Y536 HydrophobicContact CG2-CE1 4.37Å; I462-Y536 HydrophobicContact CG2-CE2 3.53Å; I462-Y536 HydrophobicContact CG2-CG 4.27Å; Q465-Y536 HydrophobicContact CB-CD1 4.32Å; Q465-Y536 HydrophobicContact CB-CG 4.3Å; K466-Y536 HydrophobicContact CD-CE1 4.17Å; K466-Y536 VanDerWaalsContact CE-CE1 3.5Å; K466-Y536 WeakPolarHBondContact CE-OH 3.43Å; K466-Y536 HydrophobicContact CG-CD1 4.04Å; K466-Y536 HydrophobicContact CG-CE1 3.52Å; K466-Y536 PolarHBondContact NZ-OH 2.79Å; H469-Y536 AromaticContact CE1-CD1 3.67Å; H469-Y536 PolarHBondContact CE1-O 3.26Å; H469-Y536 VanDerWaalsContact CE1-O 3.24Å; H469-Y536 AromaticContact ND1-CD1 3.92Å; H469-Y536 PolarHBondContact NE2-O 2.95Å; H469-Y536 VanDerWaalsContact NE2-O 3.14Å; L482-Y536 HydrophobicContact CD1-CE1 4.35Å; L482-Y536 HydrophobicContact CD2-CD1 3.54Å; L482-Y536 HydrophobicContact CD2-CD2 4.48Å; L482-Y536 HydrophobicContact CD2-CE1 3.63Å; L482-Y536 HydrophobicContact CD2-CG 3.96Å; D532-Y536 WeakPolarHBondContact O-CD2 3.34Å; D532-Y536 PolarHBondContact O-N 3.23Å; N533-Y536 PolarHBondContact O-N 3.03Å; L534-Y536 VanDerWaalsContact C-N 3.34Å; Y536-C539 WeakPolarHBondContact O-CB 3.23Å; Y536-C539 PolarHBondContact O-N 3.37Å; Y536-T540 PolarHBondContact O-N 3.46Å; Y536-T540 PolarHBondContact O-OG1 3.22Å; Y536-T540 VanDerWaalsContact O-OG1 3.09Å |
| 537 | L | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | 175.2 | -74.2 | 166.6 | 0 | 0 | 0 | 112 | Q523 L524 N533 L534 C539 T540 V541 | Q523-L537 HydrophobicContact CB-CD1 3.98Å; Q523-L537 HydrophobicContact CB-CD2 3.7Å; Q523-L537 HydrophobicContact CG-CD2 4.46Å; L524-L537 HydrophobicContact CD2-CB 3.88Å; L524-L537 HydrophobicContact CD2-CD1 4.02Å; L524-L537 HydrophobicContact CG-CD1 4.44Å; N533-L537 WeakPolarHBondContact O-CG 3.43Å; N533-L537 PolarHBondContact O-N 3.34Å; L534-L537 HydrophobicContact CD2-CD1 4.23Å; L534-L537 PolarHBondContact O-N 2.79Å; L537-C539 VanDerWaalsContact C-N 3.29Å; L537-C539 PolarHBondContact O-N 2.64Å; L537-T540 WeakPolarHBondContact O-CB 3.46Å; L537-T540 PolarHBondContact O-N 3.19Å; L537-V541 WeakPolarHBondContact O-CG2 3.43Å; L537-V541 PolarHBondContact O-N 3.42Å |
| 538 | S | 96.5 | Very high | 94.6 | Very high | 7 Ų | 7 | 17.4 Ų | 17.4 | 5% | 0.049 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.6 | -42.4 | 173.1 | -174.6 | 0 | 0 | 0 | 0 | 111 | L534 E535 V541 G542 | L534-S538 VanDerWaalsContact O-CB 3.28Å; L534-S538 WeakPolarHBondContact O-CB 3.38Å; L534-S538 PolarHBondContact O-N 2.97Å; E535-S538 PolarHBondContact O-N 3.22Å; S538-V541 PolarHBondContact O-N 3.16Å; S538-G542 PolarHBondContact O-N 3.44Å |
| 539 | C | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 175.2 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | H469 L481 L482 E535 Y536 L537 V541 G542 L543 | H469-C539 VanDerWaalsContact CE1-SG 3.5Å; L481-C539 HydrophobicContact CB-CB 4.04Å; L481-C539 VanDerWaalsContact CB-SG 3.55Å; L482-C539 HydrophobicContact CD2-CB 3.92Å; L482-C539 HydrophobicContact CG-CB 4.31Å; E535-C539 WeakPolarHBondContact O-CB 3.4Å; E535-C539 PolarHBondContact O-N 2.93Å; Y536-C539 WeakPolarHBondContact O-CB 3.23Å; Y536-C539 PolarHBondContact O-N 3.37Å; L537-C539 VanDerWaalsContact C-N 3.29Å; L537-C539 PolarHBondContact O-N 2.64Å; C539-V541 VanDerWaalsContact C-N 3.34Å; C539-V541 PolarHBondContact O-N 2.65Å; C539-G542 CarbonylContact O-C 3.56Å; C539-G542 WeakPolarHBondContact O-CA 3.33Å; C539-G542 PolarHBondContact O-N 2.85Å; C539-G542 VanDerWaalsContact O-N 3.1Å; C539-L543 WeakPolarHBondContact O-CG 3.36Å; C539-L543 PolarHBondContact O-N 2.92Å |
| 540 | T | 96.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.012 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.3 | -45.5 | 175.7 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | Q465 H469 I520 Y536 L537 G542 L543 V544 | Q465-T540 PolarHBondContact OE1-OG1 3.25Å; H469-T540 PolarHBondContact CD2-OG1 2.88Å; H469-T540 PolarHBondContact NE2-N 2.95Å; H469-T540 PolarHBondContact NE2-OG1 3.36Å; I520-T540 HydrophobicContact CD1-CG2 4.04Å; I520-T540 HydrophobicContact CG1-CG2 4.33Å; Y536-T540 PolarHBondContact O-N 3.46Å; Y536-T540 PolarHBondContact O-OG1 3.22Å; Y536-T540 VanDerWaalsContact O-OG1 3.09Å; L537-T540 WeakPolarHBondContact O-CB 3.46Å; L537-T540 PolarHBondContact O-N 3.19Å; T540-G542 VanDerWaalsContact C-N 3.32Å; T540-G542 PolarHBondContact O-N 3.37Å; T540-L543 PolarHBondContact O-N 2.92Å; T540-V544 VanDerWaalsContact O-CG2 3.27Å; T540-V544 WeakPolarHBondContact O-CG2 3.33Å; T540-V544 PolarHBondContact O-N 2.97Å |
| 541 | V | 96.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.012 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 175.1 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | I520 L537 S538 C539 V544 A545 L557 L560 T590 | I520-V541 HydrophobicContact CD1-CG2 4.27Å; I520-V541 HydrophobicContact CG2-CG2 3.63Å; L537-V541 WeakPolarHBondContact O-CG2 3.43Å; L537-V541 PolarHBondContact O-N 3.42Å; S538-V541 PolarHBondContact O-N 3.16Å; C539-V541 VanDerWaalsContact C-N 3.34Å; C539-V541 PolarHBondContact O-N 2.65Å; V541-V544 PolarHBondContact O-N 2.87Å; V541-A545 PolarHBondContact O-N 3.21Å; V541-L557 HydrophobicContact CG1-CD2 4.17Å; V541-L560 HydrophobicContact CG2-CD2 4.19Å; V541-T590 HydrophobicContact CG1-CG2 3.41Å; V541-T590 VanDerWaalsContact CG1-CG2 3.41Å |
| 542 | G | 96.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S538 C539 T540 A545 L546 | S538-G542 PolarHBondContact O-N 3.44Å; C539-G542 CarbonylContact O-C 3.56Å; C539-G542 WeakPolarHBondContact O-CA 3.33Å; C539-G542 PolarHBondContact O-N 2.85Å; C539-G542 VanDerWaalsContact O-N 3.1Å; T540-G542 VanDerWaalsContact C-N 3.32Å; T540-G542 PolarHBondContact O-N 3.37Å; G542-A545 WeakPolarHBondContact O-CB 3.47Å; G542-A545 PolarHBondContact O-N 3.4Å; G542-L546 WeakPolarHBondContact O-CB 3.36Å; G542-L546 VanDerWaalsContact O-CG 3.3Å; G542-L546 WeakPolarHBondContact O-CG 3.49Å; G542-L546 PolarHBondContact O-N 2.82Å |
| 543 | L | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.1 | -41.5 | 176.6 | -72.4 | 176.3 | 0 | 0 | 0 | 111.7 | H469 I472 D473 N477 L481 C539 T540 A545 L546 E547 | H469-L543 HydrophobicContact CB-CD1 3.84Å; I472-L543 HydrophobicContact CG2-CB 3.93Å; D473-L543 HydrophobicContact CB-CD1 4.08Å; D473-L543 HydrophobicContact CB-CD2 3.66Å; N477-L543 HydrophobicContact CB-CD2 4.42Å; L481-L543 HydrophobicContact CD1-CB 4.45Å; L481-L543 HydrophobicContact CD1-CD2 3.55Å; L481-L543 HydrophobicContact CD1-CG 3.64Å; C539-L543 WeakPolarHBondContact O-CG 3.36Å; C539-L543 PolarHBondContact O-N 2.92Å; T540-L543 PolarHBondContact O-N 2.92Å; L543-A545 VanDerWaalsContact C-N 3.27Å; L543-A545 PolarHBondContact O-N 3Å; L543-L546 PolarHBondContact O-N 3.4Å; L543-E547 VanDerWaalsContact O-CB 3.26Å; L543-E547 WeakPolarHBondContact O-CB 3.31Å; L543-E547 PolarHBondContact O-N 3.09Å |
| 544 | V | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.1 | -41.4 | 173.8 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | M509 T540 V541 M548 G549 V553 L557 | M509-V544 HydrophobicContact CE-CG1 3.9Å; T540-V544 VanDerWaalsContact O-CG2 3.27Å; T540-V544 WeakPolarHBondContact O-CG2 3.33Å; T540-V544 PolarHBondContact O-N 2.97Å; V541-V544 PolarHBondContact O-N 2.87Å; V544-M548 HydrophobicContact CB-CE 4.28Å; V544-M548 HydrophobicContact CG1-CE 4.48Å; V544-M548 HydrophobicContact CG2-CE 3.81Å; V544-M548 CarbonylContact O-C 3.53Å; V544-M548 VanDerWaalsContact O-C 3.28Å; V544-M548 WeakPolarHBondContact O-CA 3.44Å; V544-M548 PolarHBondContact O-N 3.08Å; V544-G549 PolarHBondContact O-N 3.29Å; V544-G549 VanDerWaalsContact O-N 3.11Å; V544-V553 HydrophobicContact CG1-CG1 3.72Å; V544-L557 HydrophobicContact CG1-CD1 4.39Å; V544-L557 HydrophobicContact CG1-CD2 4.39Å |
| 545 | A | 94.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 2% | 0.017 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.8 | -47.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V541 G542 L543 G549 L557 L593 L594 L597 | V541-A545 PolarHBondContact O-N 3.21Å; G542-A545 WeakPolarHBondContact O-CB 3.47Å; G542-A545 PolarHBondContact O-N 3.4Å; L543-A545 VanDerWaalsContact C-N 3.27Å; L543-A545 PolarHBondContact O-N 3Å; A545-G549 WeakPolarHBondContact O-CA 3.41Å; A545-G549 PolarHBondContact O-N 3.09Å; A545-L557 HydrophobicContact CB-CD1 3.75Å; A545-L593 HydrophobicContact CB-CD2 4.44Å; A545-L594 HydrophobicContact CB-CD2 3.91Å; A545-L597 HydrophobicContact CB-CD2 4.01Å; A545-L597 WeakPolarHBondContact O-CD2 3.46Å |
| 546 | L | 94.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 12.9 Ų | 12.9 | 6% | 0.058 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -76.6 | -40.3 | -173.7 | -65.6 | -176.2 | 0 | 0 | 0 | 113.3 | N477 L481 F496 L498 G542 L543 L593 L597 | N477-L546 HydrophobicContact CB-CD1 4.3Å; L481-L546 HydrophobicContact CD1-CD1 4.14Å; L481-L546 HydrophobicContact CD2-CD1 4.3Å; L481-L546 HydrophobicContact CG-CD1 4.5Å; F496-L546 HydrophobicContact CB-CD1 4.02Å; F496-L546 HydrophobicContact CD1-CD1 3.9Å; F496-L546 HydrophobicContact CD2-CD1 3.96Å; F496-L546 HydrophobicContact CE1-CD1 4.39Å; F496-L546 HydrophobicContact CE2-CD1 4.44Å; F496-L546 HydrophobicContact CG-CD1 3.67Å; L498-L546 HydrophobicContact CD2-CD2 3.59Å; G542-L546 WeakPolarHBondContact O-CB 3.36Å; G542-L546 VanDerWaalsContact O-CG 3.3Å; G542-L546 WeakPolarHBondContact O-CG 3.49Å; G542-L546 PolarHBondContact O-N 2.82Å; L543-L546 PolarHBondContact O-N 3.4Å; L546-L593 HydrophobicContact CD2-CD1 4.31Å; L546-L597 HydrophobicContact CD2-CD1 3.87Å; L546-L597 HydrophobicContact CD2-CD2 4.33Å |
| 547 | E | 93.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -91.6 | -29 | -174.4 | -65.7 | -70.8 | 169.3 | 0 | 0 | 113.3 | I436 I472 R474 H475 L543 | I436-E547 HydrophobicContact CD1-CB 4.09Å; I472-E547 HydrophobicContact CG2-CB 4.14Å; I472-E547 HydrophobicContact CG2-CG 4.1Å; R474-E547 IonicContact CZ-OE2 3.29Å; R474-E547 PolarHBondContact N-OE1 2.83Å; R474-E547 IonicContact NE-OE2 3.29Å; R474-E547 PolarHBondContact NE-OE2 3.47Å; R474-E547 PolarHBondContact NH2-O 3.36Å; R474-E547 IonicContact NH2-OE2 3.25Å; R474-E547 PolarHBondContact NH2-OE2 3.04Å; H475-E547 IonicContact CE1-OE1 3.09Å; H475-E547 IonicContact CE1-OE2 2.65Å; H475-E547 PolarHBondContact CE1-OE2 3.11Å; H475-E547 IonicContact CG-OE1 3.84Å; H475-E547 VanDerWaalsContact ND1-CD 3.34Å; H475-E547 IonicContact ND1-OE1 2.72Å; H475-E547 PolarHBondContact ND1-OE1 2.92Å; H475-E547 IonicContact ND1-OE2 3.63Å; H475-E547 PolarHBondContact ND1-OE2 2.84Å; L543-E547 VanDerWaalsContact O-CB 3.26Å; L543-E547 WeakPolarHBondContact O-CB 3.31Å; L543-E547 PolarHBondContact O-N 3.09Å |
| 548 | M | 92.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -132.5 | 9.5 | -170.1 | -55.3 | -178.2 | -79.3 | 0 | 0 | 113.9 | I436 I472 D505 F508 M509 V544 A550 | I436-M548 HydrophobicContact CB-SD 4.45Å; I436-M548 HydrophobicContact CD1-CE 4.34Å; I436-M548 HydrophobicContact CD1-CG 3.42Å; I436-M548 VanDerWaalsContact CD1-CG 3.42Å; I436-M548 HydrophobicContact CD1-SD 3.54Å; I436-M548 VanDerWaalsContact CD1-SD 3.54Å; I436-M548 HydrophobicContact CG2-SD 3.99Å; I472-M548 HydrophobicContact CD1-CE 4.29Å; I472-M548 HydrophobicContact CG2-CE 4.05Å; D505-M548 HydrophobicContact CB-CG 4.25Å; F508-M548 HydrophobicContact CD1-SD 4.07Å; F508-M548 HydrophobicContact CE1-SD 4.17Å; M509-M548 HydrophobicContact CG-CB 3.63Å; M509-M548 HydrophobicContact CG-CG 4.21Å; M509-M548 HydrophobicContact CG-SD 3.76Å; M509-M548 HydrophobicContact SD-CB 4.49Å; M509-M548 HydrophobicContact SD-CE 4.1Å; M509-M548 HydrophobicContact SD-SD 3.81Å; V544-M548 HydrophobicContact CB-CE 4.28Å; V544-M548 HydrophobicContact CG1-CE 4.48Å; V544-M548 HydrophobicContact CG2-CE 3.81Å; V544-M548 CarbonylContact O-C 3.53Å; V544-M548 VanDerWaalsContact O-C 3.28Å; V544-M548 WeakPolarHBondContact O-CA 3.44Å; V544-M548 PolarHBondContact O-N 3.08Å; M548-A550 PolarHBondContact O-N 3.21Å |
| 549 | G | 89 | Confident | 93.4 | Very high | 18 Ų | 18 | 11 Ų | 11 | 19% | 0.186 | 6% | 0.061 | C | C | . | . | trans | -70.4 | 80.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | V544 A545 | V544-G549 PolarHBondContact O-N 3.29Å; V544-G549 VanDerWaalsContact O-N 3.11Å; A545-G549 WeakPolarHBondContact O-CA 3.41Å; A545-G549 PolarHBondContact O-N 3.09Å | ||
| 550 | A | 87.8 | Confident | 93.3 | Very high | 17 Ų | 17 | 11.2 Ų | 11.2 | 14% | 0.14 | 6% | 0.062 | C | C | . | . | trans | -88.7 | 168 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I506 M548 Q552 V553 I554 | I506-A550 HydrophobicContact CB-CB 4.21Å; I506-A550 HydrophobicContact CD1-CB 4.02Å; I506-A550 HydrophobicContact CG1-CB 3.85Å; I506-A550 HydrophobicContact CG2-CB 3.52Å; M548-A550 PolarHBondContact O-N 3.21Å; A550-Q552 VanDerWaalsContact C-N 3.35Å; A550-Q552 PolarHBondContact O-N 3.25Å; A550-V553 WeakPolarHBondContact O-CA 3.35Å; A550-V553 WeakPolarHBondContact O-CB 3.03Å; A550-V553 PolarHBondContact O-N 3.48Å; A550-I554 WeakPolarHBondContact O-CG1 3.46Å; A550-I554 PolarHBondContact O-N 3.2Å | ||
| 551 | E | 88.5 | Confident | 93.3 | Very high | 99 Ų | 99 | 11.1 Ų | 11.1 | 46% | 0.463 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -44.6 | -53.3 | -177.6 | -164.2 | -171.8 | 144 | 0 | 0 | 113.8 | V553 I554 T555 Y662 | E551-V553 PolarHBondContact O-N 3.09Å; E551-I554 PolarHBondContact O-N 2.72Å; E551-T555 PolarHBondContact O-N 2.95Å; E551-T555 PolarHBondContact O-OG1 3.27Å; E551-Y662 HydrophobicContact CB-CD1 4.28Å; E551-Y662 HydrophobicContact CB-CE1 4.13Å; E551-Y662 HydrophobicContact CG-CD1 3.32Å; E551-Y662 HydrophobicContact CG-CE1 3.53Å; E551-Y662 HydrophobicContact CG-CG 3.88Å; E551-Y662 WeakPolarHBondContact OE1-CA 3.49Å |
| 552 | Q | 88 | Confident | 93.2 | Very high | 48 Ų | 48 | 11.6 Ų | 11.6 | 22% | 0.224 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 178.1 | -69 | 179.3 | -24.5 | 0 | 0 | 113.2 | A550 T555 E556 F758 | A550-Q552 VanDerWaalsContact C-N 3.35Å; A550-Q552 PolarHBondContact O-N 3.25Å; Q552-T555 PolarHBondContact O-N 3.26Å; Q552-E556 WeakPolarHBondContact O-CG 3.33Å; Q552-E556 PolarHBondContact O-N 3.16Å; Q552-F758 PolarHBondContact NE2-O 2.99Å |
| 553 | V | 91.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 2% | 0.024 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.5 | -42.5 | 179.1 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | M509 V544 A550 E551 E556 L557 | M509-V553 HydrophobicContact CB-CG2 3.56Å; M509-V553 HydrophobicContact CE-CG1 3.89Å; M509-V553 HydrophobicContact CE-CG2 4.01Å; M509-V553 HydrophobicContact CG-CG2 3.99Å; V544-V553 HydrophobicContact CG1-CG1 3.72Å; A550-V553 WeakPolarHBondContact O-CA 3.35Å; A550-V553 WeakPolarHBondContact O-CB 3.03Å; A550-V553 PolarHBondContact O-N 3.48Å; E551-V553 PolarHBondContact O-N 3.09Å; V553-E556 PolarHBondContact O-N 2.92Å; V553-L557 HydrophobicContact CG1-CD1 4.4Å; V553-L557 HydrophobicContact CG1-CG 4.5Å; V553-L557 WeakPolarHBondContact O-CG 3.4Å; V553-L557 PolarHBondContact O-N 3.38Å |
| 554 | I | 93.5 | Very high | 93 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 176.7 | -62.4 | -62.9 | 0 | 0 | 0 | 110.7 | A550 E551 E556 L557 F558 L594 L597 I598 Y662 | A550-I554 WeakPolarHBondContact O-CG1 3.46Å; A550-I554 PolarHBondContact O-N 3.2Å; E551-I554 PolarHBondContact O-N 2.72Å; I554-E556 VanDerWaalsContact C-N 3.31Å; I554-E556 PolarHBondContact O-N 3.39Å; I554-L557 PolarHBondContact O-N 3.39Å; I554-F558 HydrophobicContact CG2-CD2 3.9Å; I554-F558 HydrophobicContact CG2-CE2 3.69Å; I554-F558 VanDerWaalsContact O-CD2 3.28Å; I554-F558 WeakPolarHBondContact O-CD2 3.42Å; I554-F558 PolarHBondContact O-N 3.46Å; I554-L594 HydrophobicContact CD1-CD2 3.94Å; I554-L597 HydrophobicContact CD1-CD2 4.04Å; I554-I598 HydrophobicContact CD1-CG2 4.45Å; I554-I598 HydrophobicContact CG1-CG2 4.2Å; I554-I598 HydrophobicContact CG2-CD1 4.03Å; I554-I598 HydrophobicContact CG2-CG2 4.02Å; I554-Y662 HydrophobicContact CB-CE1 4.11Å; I554-Y662 HydrophobicContact CG2-CE1 4.08Å |
| 555 | T | 93.4 | Very high | 93 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 3% | 0.025 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.1 | -45.1 | 173.3 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | E551 Q552 L557 F558 R559 D663 V666 L667 | E551-T555 PolarHBondContact O-N 2.95Å; E551-T555 PolarHBondContact O-OG1 3.27Å; Q552-T555 PolarHBondContact O-N 3.26Å; T555-L557 VanDerWaalsContact C-N 3.31Å; T555-L557 PolarHBondContact O-N 3.48Å; T555-F558 PolarHBondContact O-N 3.02Å; T555-R559 PolarHBondContact O-N 3.27Å; T555-D663 WeakPolarHBondContact CG2-O 3.35Å; T555-D663 PolarHBondContact OG1-O 3.43Å; T555-V666 HydrophobicContact CG2-CG2 3.58Å; T555-L667 HydrophobicContact CG2-CD2 3.71Å; T555-L667 HydrophobicContact CG2-CG 4Å; T555-L667 WeakPolarHBondContact O-CD2 3.2Å |
| 556 | E | 92.8 | Very high | 92.9 | Very high | 9 Ų | 9 | 16 Ų | 16 | 4% | 0.042 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.5 | -31.2 | 178.7 | -73.5 | -75.4 | 160.9 | 0 | 0 | 112.6 | I517 Q552 V553 I554 R559 L560 V666 Y671 L760 | I517-E556 HydrophobicContact CG1-CB 4.35Å; Q552-E556 WeakPolarHBondContact O-CG 3.33Å; Q552-E556 PolarHBondContact O-N 3.16Å; V553-E556 PolarHBondContact O-N 2.92Å; I554-E556 VanDerWaalsContact C-N 3.31Å; I554-E556 PolarHBondContact O-N 3.39Å; E556-R559 WeakPolarHBondContact O-CB 3.47Å; E556-R559 PolarHBondContact O-N 2.94Å; E556-R559 IonicContact OE1-NH1 3.11Å; E556-R559 PolarHBondContact OE1-NH1 2.81Å; E556-R559 VanDerWaalsContact OE1-NH1 3.11Å; E556-R559 WeakPolarHBondContact OE2-CD 3.38Å; E556-R559 IonicContact OE2-NH1 3.45Å; E556-R559 PolarHBondContact OE2-NH1 3.09Å; E556-L560 WeakPolarHBondContact O-CB 3.48Å; E556-L560 PolarHBondContact O-N 2.99Å; E556-V666 WeakPolarHBondContact OE1-CG2 3.29Å; E556-Y671 PolarHBondContact O-OH 3.04Å; E556-Y671 PolarHBondContact OE2-OH 3.17Å; E556-L760 HydrophobicContact CB-CD1 4.48Å; E556-L760 HydrophobicContact CG-CD1 3.79Å; E556-L760 HydrophobicContact CG-CG 4.43Å |
| 557 | L | 94.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.4 | -36.5 | 171.2 | -67 | 177.3 | 0 | 0 | 0 | 112.4 | I517 V541 V544 A545 V553 I554 T555 L560 I561 L594 | I517-L557 HydrophobicContact CD1-CD2 3.61Å; I517-L557 HydrophobicContact CD1-CG 4.35Å; V541-L557 HydrophobicContact CG1-CD2 4.17Å; V544-L557 HydrophobicContact CG1-CD1 4.39Å; V544-L557 HydrophobicContact CG1-CD2 4.39Å; A545-L557 HydrophobicContact CB-CD1 3.75Å; V553-L557 HydrophobicContact CG1-CD1 4.4Å; V553-L557 HydrophobicContact CG1-CG 4.5Å; V553-L557 WeakPolarHBondContact O-CG 3.4Å; V553-L557 PolarHBondContact O-N 3.38Å; I554-L557 PolarHBondContact O-N 3.39Å; T555-L557 VanDerWaalsContact C-N 3.31Å; T555-L557 PolarHBondContact O-N 3.48Å; L557-L560 HydrophobicContact CD2-CD2 4.3Å; L557-L560 WeakPolarHBondContact O-CB 3.35Å; L557-L560 PolarHBondContact O-N 3.34Å; L557-I561 WeakPolarHBondContact O-CG1 3.32Å; L557-I561 PolarHBondContact O-N 3.14Å; L557-I561 VanDerWaalsContact O-N 3.08Å; L557-L594 HydrophobicContact CB-CD1 3.77Å; L557-L594 HydrophobicContact CB-CD2 4.2Å; L557-L594 HydrophobicContact CD1-CD2 3.81Å |
| 558 | F | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.3 | -41.3 | 169.4 | -80.7 | -73 | 0 | 0 | 0 | 111.9 | I554 T555 L560 I561 L562 I591 L594 V595 I598 L603 I653 L657 L667 | I554-F558 HydrophobicContact CG2-CD2 3.9Å; I554-F558 HydrophobicContact CG2-CE2 3.69Å; I554-F558 VanDerWaalsContact O-CD2 3.28Å; I554-F558 WeakPolarHBondContact O-CD2 3.42Å; I554-F558 PolarHBondContact O-N 3.46Å; T555-F558 PolarHBondContact O-N 3.02Å; F558-L560 VanDerWaalsContact C-N 3.33Å; F558-L560 PolarHBondContact O-N 3.39Å; F558-I561 HydrophobicContact CD1-CD1 4.42Å; F558-I561 PolarHBondContact O-N 3.38Å; F558-L562 WeakPolarHBondContact O-CG 3.25Å; F558-L562 PolarHBondContact O-N 3.11Å; F558-I591 HydrophobicContact CD1-CG1 4.34Å; F558-I591 HydrophobicContact CE1-CD1 4.33Å; F558-I591 HydrophobicContact CE1-CG1 3.81Å; F558-L594 HydrophobicContact CD1-CD1 4.34Å; F558-L594 HydrophobicContact CD2-CD1 4.21Å; F558-L594 HydrophobicContact CE1-CB 4.35Å; F558-L594 HydrophobicContact CE1-CD1 4.3Å; F558-L594 HydrophobicContact CE2-CB 4.05Å; F558-L594 HydrophobicContact CE2-CD1 4.16Å; F558-L594 HydrophobicContact CG-CD1 4.29Å; F558-L594 HydrophobicContact CZ-CB 3.75Å; F558-L594 HydrophobicContact CZ-CD1 4.21Å; F558-V595 HydrophobicContact CE1-CG2 4.24Å; F558-V595 HydrophobicContact CZ-CG2 3.98Å; F558-I598 HydrophobicContact CE2-CD1 3.84Å; F558-I598 HydrophobicContact CZ-CD1 4.28Å; F558-L603 HydrophobicContact CE1-CD2 3.96Å; F558-L603 HydrophobicContact CZ-CD2 4.21Å; F558-I653 HydrophobicContact CB-CG2 4.29Å; F558-I653 HydrophobicContact CD1-CG2 3.78Å; F558-I653 HydrophobicContact CE1-CG2 4.39Å; F558-I653 HydrophobicContact CG-CG2 4.17Å; F558-L657 HydrophobicContact CB-CD1 4.2Å; F558-L657 HydrophobicContact CD2-CD1 3.89Å; F558-L657 HydrophobicContact CD2-CD2 4.08Å; F558-L657 HydrophobicContact CE2-CD1 4.46Å; F558-L657 HydrophobicContact CE2-CD2 3.97Å; F558-L657 HydrophobicContact CG-CD1 4.03Å; F558-L667 HydrophobicContact CB-CD2 3.93Å |
| 559 | R | 94.9 | Very high | 92.5 | Very high | 8 Ų | 8 | 21.4 Ų | 21.4 | 3% | 0.03 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.7 | -43 | 172.9 | -174.9 | -171.3 | 175.6 | 179.6 | -6.7 | 111.5 | T555 E556 I561 L562 A563 V666 L667 I669 P670 Y671 | T555-R559 PolarHBondContact O-N 3.27Å; E556-R559 WeakPolarHBondContact O-CB 3.47Å; E556-R559 PolarHBondContact O-N 2.94Å; E556-R559 IonicContact OE1-NH1 3.11Å; E556-R559 PolarHBondContact OE1-NH1 2.81Å; E556-R559 VanDerWaalsContact OE1-NH1 3.11Å; E556-R559 WeakPolarHBondContact OE2-CD 3.38Å; E556-R559 IonicContact OE2-NH1 3.45Å; E556-R559 PolarHBondContact OE2-NH1 3.09Å; R559-I561 VanDerWaalsContact C-N 3.35Å; R559-I561 PolarHBondContact O-N 2.9Å; R559-L562 PolarHBondContact O-N 3Å; R559-A563 VanDerWaalsContact O-CB 3.27Å; R559-A563 WeakPolarHBondContact O-CB 3.49Å; R559-A563 PolarHBondContact O-N 3.19Å; R559-V666 WeakPolarHBondContact CD-O 3.46Å; R559-V666 PolarHBondContact NE-O 3.35Å; R559-V666 VanDerWaalsContact NE-O 3.13Å; R559-L667 HydrophobicContact CB-CD2 4.03Å; R559-I669 PolarHBondContact NE-O 3.44Å; R559-I669 VanDerWaalsContact NH2-CG2 3.31Å; R559-I669 PolarHBondContact NH2-O 2.89Å; R559-P670 PolarHBondContact NH2-O 3.47Å; R559-P670 VanDerWaalsContact NH2-O 3.09Å; R559-Y671 HydrophobicContact CG-CE2 4.24Å |
| 560 | L | 94.9 | Very high | 92.3 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56 | -48.1 | 174.2 | 179.1 | 67.9 | 0 | 0 | 0 | 111.2 | I517 I520 Y521 V541 E556 L557 F558 L562 A563 V564 Y671 | I517-L560 HydrophobicContact CG2-CB 4.44Å; I520-L560 HydrophobicContact CB-CD2 4.5Å; I520-L560 HydrophobicContact CG2-CD1 4.49Å; I520-L560 HydrophobicContact CG2-CD2 3.74Å; Y521-L560 HydrophobicContact CD2-CD1 4.06Å; Y521-L560 HydrophobicContact CG-CD1 4.36Å; V541-L560 HydrophobicContact CG2-CD2 4.19Å; E556-L560 WeakPolarHBondContact O-CB 3.48Å; E556-L560 PolarHBondContact O-N 2.99Å; L557-L560 HydrophobicContact CD2-CD2 4.3Å; L557-L560 WeakPolarHBondContact O-CB 3.35Å; L557-L560 PolarHBondContact O-N 3.34Å; F558-L560 VanDerWaalsContact C-N 3.33Å; F558-L560 PolarHBondContact O-N 3.39Å; L560-L562 PolarHBondContact O-N 3.42Å; L560-A563 PolarHBondContact O-N 3.43Å; L560-V564 HydrophobicContact CD1-CG2 4.12Å; L560-V564 WeakPolarHBondContact O-CB 3.24Å; L560-V564 VanDerWaalsContact O-CG2 3.29Å; L560-V564 WeakPolarHBondContact O-CG2 3.48Å; L560-V564 PolarHBondContact O-N 3.3Å; L560-Y671 HydrophobicContact CD1-CE2 4.37Å; L560-Y671 PolarHBondContact N-OH 3.18Å |
| 561 | I | 95.8 | Very high | 92 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.2 | -49.1 | 177.5 | -67.9 | 159.6 | 0 | 0 | 0 | 111.2 | L557 F558 R559 Q565 L587 T590 I591 L594 F648 | L557-I561 WeakPolarHBondContact O-CG1 3.32Å; L557-I561 PolarHBondContact O-N 3.14Å; L557-I561 VanDerWaalsContact O-N 3.08Å; F558-I561 HydrophobicContact CD1-CD1 4.42Å; F558-I561 PolarHBondContact O-N 3.38Å; R559-I561 VanDerWaalsContact C-N 3.35Å; R559-I561 PolarHBondContact O-N 2.9Å; I561-Q565 VanDerWaalsContact O-CB 3.31Å; I561-Q565 WeakPolarHBondContact O-CB 3.21Å; I561-Q565 PolarHBondContact O-N 3.07Å; I561-L587 HydrophobicContact CB-CD2 4.19Å; I561-L587 HydrophobicContact CG1-CD2 4.03Å; I561-L587 HydrophobicContact CG2-CB 4.35Å; I561-L587 HydrophobicContact CG2-CD1 4.45Å; I561-L587 HydrophobicContact CG2-CD2 4.15Å; I561-T590 HydrophobicContact CD1-CG2 3.91Å; I561-T590 HydrophobicContact CG1-CG2 4.21Å; I561-I591 HydrophobicContact CD1-CB 3.89Å; I561-I591 HydrophobicContact CD1-CG1 4.02Å; I561-L594 HydrophobicContact CD1-CD1 3.64Å; I561-F648 HydrophobicContact CG2-CD2 4.45Å |
| 562 | L | 95.2 | Very high | 91.2 | Very high | 11 Ų | 11 | 27.8 Ų | 27.8 | 6% | 0.058 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.3 | -41.7 | -179 | -69 | 175.4 | 0 | 0 | 0 | 112.2 | F558 R559 L560 Q565 T566 I653 | F558-L562 WeakPolarHBondContact O-CG 3.25Å; F558-L562 PolarHBondContact O-N 3.11Å; R559-L562 PolarHBondContact O-N 3Å; L560-L562 PolarHBondContact O-N 3.42Å; L562-Q565 PolarHBondContact O-N 3.23Å; L562-T566 WeakPolarHBondContact O-CB 3.46Å; L562-T566 PolarHBondContact O-N 2.8Å; L562-T566 PolarHBondContact O-OG1 2.93Å; L562-I653 HydrophobicContact CD2-CD1 3.8Å; L562-I653 HydrophobicContact CG-CD1 4.38Å |
| 563 | A | 93.8 | Very high | 90.4 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 13% | 0.132 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.6 | -41.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y521 R559 L560 K567 Y671 | Y521-A563 HydrophobicContact CD2-CB 4.25Å; Y521-A563 HydrophobicContact CE2-CB 3.79Å; R559-A563 VanDerWaalsContact O-CB 3.27Å; R559-A563 WeakPolarHBondContact O-CB 3.49Å; R559-A563 PolarHBondContact O-N 3.19Å; L560-A563 PolarHBondContact O-N 3.43Å; A563-K567 WeakPolarHBondContact O-CB 3.5Å; A563-K567 PolarHBondContact O-N 3.49Å; A563-Y671 HydrophobicContact CB-CD2 3.6Å; A563-Y671 HydrophobicContact CB-CE2 3.58Å |
| 564 | V | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.2 | -44.3 | 175.1 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | Y521 L524 L525 L560 T566 K567 I568 L583 L587 | Y521-V564 HydrophobicContact CD2-CG2 3.75Å; Y521-V564 HydrophobicContact CE2-CG2 4.1Å; L524-V564 HydrophobicContact CD1-CG2 4.18Å; L525-V564 HydrophobicContact CD2-CG1 4.28Å; L560-V564 HydrophobicContact CD1-CG2 4.12Å; L560-V564 WeakPolarHBondContact O-CB 3.24Å; L560-V564 VanDerWaalsContact O-CG2 3.29Å; L560-V564 WeakPolarHBondContact O-CG2 3.48Å; L560-V564 PolarHBondContact O-N 3.3Å; V564-T566 VanDerWaalsContact C-N 3.34Å; V564-T566 PolarHBondContact O-N 3.06Å; V564-K567 PolarHBondContact O-N 3.29Å; V564-I568 HydrophobicContact CG1-CD1 3.82Å; V564-I568 HydrophobicContact CG1-CG1 4.4Å; V564-I568 WeakPolarHBondContact O-CD1 3.28Å; V564-I568 VanDerWaalsContact O-CG1 3.26Å; V564-I568 WeakPolarHBondContact O-CG1 3.14Å; V564-I568 PolarHBondContact O-N 2.95Å; V564-L583 HydrophobicContact CG1-CD1 4.35Å; V564-L587 HydrophobicContact CB-CD1 4.28Å; V564-L587 HydrophobicContact CB-CD2 4.22Å; V564-L587 HydrophobicContact CG1-CD1 4.06Å; V564-L587 HydrophobicContact CG1-CD2 4.24Å; V564-L587 HydrophobicContact CG1-CG 4.42Å |
| 565 | Q | 94.5 | Very high | 89.3 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 5% | 0.051 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.9 | -46.2 | 176.4 | -173.9 | 177.2 | -96 | 0 | 0 | 111.6 | I561 L562 I568 I569 L587 L647 F648 | I561-Q565 VanDerWaalsContact O-CB 3.31Å; I561-Q565 WeakPolarHBondContact O-CB 3.21Å; I561-Q565 PolarHBondContact O-N 3.07Å; L562-Q565 PolarHBondContact O-N 3.23Å; Q565-I568 PolarHBondContact O-N 3.4Å; Q565-I569 HydrophobicContact CG-CD1 4.13Å; Q565-I569 WeakPolarHBondContact O-CD1 3.23Å; Q565-I569 VanDerWaalsContact O-CG1 3.28Å; Q565-I569 WeakPolarHBondContact O-CG1 3.04Å; Q565-I569 PolarHBondContact O-N 2.91Å; Q565-L587 HydrophobicContact CB-CD1 3.96Å; Q565-L647 HydrophobicContact CG-CD2 3.89Å; Q565-F648 PolarHBondContact NE2-O 3.34Å |
| 566 | T | 92.6 | Very high | 89 | Confident | 69 Ų | 69 | 43.1 Ų | 43.1 | 42% | 0.423 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 178.2 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | L562 V564 I568 I569 D570 | L562-T566 WeakPolarHBondContact O-CB 3.46Å; L562-T566 PolarHBondContact O-N 2.8Å; L562-T566 PolarHBondContact O-OG1 2.93Å; V564-T566 VanDerWaalsContact C-N 3.34Å; V564-T566 PolarHBondContact O-N 3.06Å; T566-I568 PolarHBondContact O-N 2.98Å; T566-I569 WeakPolarHBondContact O-CB 3.5Å; T566-I569 PolarHBondContact O-N 3.33Å; T566-I569 VanDerWaalsContact O-N 3.15Å; T566-D570 PolarHBondContact O-N 3.19Å |
| 567 | K | 90.7 | Very high | 88.8 | Confident | 60 Ų | 60 | 44.3 Ų | 44.3 | 26% | 0.261 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63 | -39.9 | 179.3 | -168.2 | 65.7 | 156.5 | 176.5 | 0 | 113.3 | L525 A563 V564 I569 D570 E571 | L525-K567 HydrophobicContact CD1-CB 4.29Å; L525-K567 HydrophobicContact CD1-CG 3.73Å; L525-K567 HydrophobicContact CD2-CB 4.04Å; L525-K567 HydrophobicContact CD2-CG 3.78Å; L525-K567 HydrophobicContact CG-CG 4.39Å; A563-K567 WeakPolarHBondContact O-CB 3.5Å; A563-K567 PolarHBondContact O-N 3.49Å; V564-K567 PolarHBondContact O-N 3.29Å; K567-I569 PolarHBondContact O-N 2.95Å; K567-D570 PolarHBondContact O-N 2.9Å; K567-E571 HydrophobicContact CD-CG 4.29Å; K567-E571 WeakPolarHBondContact CE-OE1 3.34Å; K567-E571 WeakPolarHBondContact CE-OE2 3.44Å; K567-E571 IonicContact NZ-OE1 2.78Å; K567-E571 PolarHBondContact NZ-OE1 3.44Å; K567-E571 IonicContact NZ-OE2 3.48Å; K567-E571 PolarHBondContact NZ-OE2 3.37Å; K567-E571 PolarHBondContact O-N 3.22Å |
| 568 | I | 91.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.3 | -36.3 | 176.3 | -67.3 | 161.2 | 0 | 0 | 0 | 111.3 | V564 Q565 T566 N572 R580 L583 H584 L587 | V564-I568 HydrophobicContact CG1-CD1 3.82Å; V564-I568 HydrophobicContact CG1-CG1 4.4Å; V564-I568 WeakPolarHBondContact O-CD1 3.28Å; V564-I568 VanDerWaalsContact O-CG1 3.26Å; V564-I568 WeakPolarHBondContact O-CG1 3.14Å; V564-I568 PolarHBondContact O-N 2.95Å; Q565-I568 PolarHBondContact O-N 3.4Å; T566-I568 PolarHBondContact O-N 2.98Å; I568-N572 PolarHBondContact O-N 3.48Å; I568-R580 HydrophobicContact CG2-CB 3.94Å; I568-R580 HydrophobicContact CG2-CG 3.89Å; I568-L583 HydrophobicContact CD1-CB 3.51Å; I568-L583 HydrophobicContact CD1-CD1 3.87Å; I568-L583 HydrophobicContact CD1-CG 4.36Å; I568-L583 HydrophobicContact CG1-CB 4.45Å; I568-L583 HydrophobicContact CG1-CD1 3.96Å; I568-H584 WeakPolarHBondContact CG2-NE2 3.39Å; I568-L587 HydrophobicContact CD1-CD1 4.48Å |
| 569 | I | 89 | Confident | 88.3 | Confident | 65 Ų | 65 | 48.1 Ų | 48.1 | 33% | 0.333 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -73.8 | -48.9 | 179.3 | -64.2 | 161.7 | 0 | 0 | 0 | 110.2 | Q565 T566 K567 L647 | Q565-I569 HydrophobicContact CG-CD1 4.13Å; Q565-I569 WeakPolarHBondContact O-CD1 3.23Å; Q565-I569 VanDerWaalsContact O-CG1 3.28Å; Q565-I569 WeakPolarHBondContact O-CG1 3.04Å; Q565-I569 PolarHBondContact O-N 2.91Å; T566-I569 WeakPolarHBondContact O-CB 3.5Å; T566-I569 PolarHBondContact O-N 3.33Å; T566-I569 VanDerWaalsContact O-N 3.15Å; K567-I569 PolarHBondContact O-N 2.95Å; I569-L647 HydrophobicContact CD1-CD1 3.46Å; I569-L647 VanDerWaalsContact CD1-CD1 3.46Å; I569-L647 HydrophobicContact CD1-CD2 3.92Å; I569-L647 HydrophobicContact CD1-CG 4.35Å; I569-L647 HydrophobicContact CG1-CD1 4.49Å |
| 570 | D | 86.1 | Confident | 88.2 | Confident | 114 Ų | 114 | 49.5 Ų | 49.5 | 61% | 0.61 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -67.4 | -38.6 | -176.2 | -69.8 | -14 | 0 | 0 | 0 | 112.8 | T566 K567 | T566-D570 PolarHBondContact O-N 3.19Å; K567-D570 PolarHBondContact O-N 2.9Å |
| 571 | E | 80 | Confident | 88.1 | Confident | 74 Ų | 74 | 49.3 Ų | 49.3 | 35% | 0.346 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 37.3 | -175.9 | -67.6 | -175.7 | 178.7 | 0 | 0 | 112.8 | K567 T573 Y574 | K567-E571 HydrophobicContact CD-CG 4.29Å; K567-E571 WeakPolarHBondContact CE-OE1 3.34Å; K567-E571 WeakPolarHBondContact CE-OE2 3.44Å; K567-E571 IonicContact NZ-OE1 2.78Å; K567-E571 PolarHBondContact NZ-OE1 3.44Å; K567-E571 IonicContact NZ-OE2 3.48Å; K567-E571 PolarHBondContact NZ-OE2 3.37Å; K567-E571 PolarHBondContact O-N 3.22Å; E571-T573 PolarHBondContact O-N 3.18Å; E571-Y574 HydrophobicContact CB-CD2 4.24Å; E571-Y574 HydrophobicContact CG-CD2 4.45Å; E571-Y574 PolarHBondContact O-N 3.33Å |
| 572 | N | 72.7 | Confident | 88.1 | Confident | 79 Ų | 79 | 49.4 Ų | 49.4 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -16.7 | -176.8 | 68.8 | 2.9 | 0 | 0 | 0 | 115 | I568 R580 | I568-N572 PolarHBondContact O-N 3.48Å; N572-R580 PolarHBondContact O-NH1 3.19Å; N572-R580 PolarHBondContact O-NH2 3.38Å |
| 573 | T | 71.1 | Confident | 88.1 | Confident | 111 Ų | 111 | 49 Ų | 49 | 68% | 0.681 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -26 | -177.6 | 43.2 | 0 | 0 | 0 | 0 | 114.4 | E571 | E571-T573 PolarHBondContact O-N 3.18Š|
| 574 | Y | 78.3 | Confident | 88.2 | Confident | 189 Ų | 189 | 48.2 Ų | 48.2 | 74% | 0.741 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -21.7 | -174.9 | -64.9 | -77.5 | 0 | 0 | 0 | 113 | E571 | E571-Y574 HydrophobicContact CB-CD2 4.24Å; E571-Y574 HydrophobicContact CG-CD2 4.45Å; E571-Y574 PolarHBondContact O-N 3.33Å |
| 575 | M | 82.8 | Confident | 88.3 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -102.7 | 129.7 | -172.8 | -168.8 | 176.1 | -73 | 0 | 0 | 111.8 | L525 L577 H579 R580 L583 | L525-M575 HydrophobicContact CB-CE 4.48Å; L525-M575 HydrophobicContact CD2-CE 3.94Å; M575-L577 PolarHBondContact O-N 3.48Å; M575-H579 HydrophobicContact CG-CB 4.05Å; M575-H579 VanDerWaalsContact CG-CD2 3.47Å; M575-H579 WeakPolarHBondContact CG-CD2 3.42Å; M575-H579 HydrophobicContact SD-CB 4.5Å; M575-H579 PolarHBondContact SD-CD2 3.38Å; M575-R580 HydrophobicContact CB-CG 3.87Å; M575-R580 HydrophobicContact CG-CG 3.72Å; M575-R580 PolarHBondContact O-NE 2.89Å; M575-R580 HydrophobicContact SD-CG 3.64Å; M575-L583 HydrophobicContact CE-CD1 4.09Å; M575-L583 HydrophobicContact SD-CD1 3.64Å |
| 576 | P | 87.2 | Confident | 88.5 | Confident | 60 Ų | 60 | 47.8 Ų | 47.8 | 39% | 0.39 | 25% | 0.246 | S | C | . | . | trans | -51.4 | 139.4 | 175.4 | -26.4 | 34.2 | 0 | 0 | 0 | 111.9 | T578 H579 R580 | P576-T578 VanDerWaalsContact C-N 3.29Å; P576-T578 PolarHBondContact O-N 3.19Å; P576-H579 HydrophobicContact CB-CB 4.2Å; P576-H579 WeakPolarHBondContact O-CB 3.27Å; P576-H579 PolarHBondContact O-N 3.32Å; P576-H579 VanDerWaalsContact O-N 3.08Å; P576-R580 PolarHBondContact O-N 3.22Å | ||
| 577 | L | 88.8 | Confident | 88.7 | Confident | 35 Ų | 35 | 44.7 Ų | 44.7 | 18% | 0.183 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57 | -43.6 | -178.2 | 177.4 | 66.1 | 0 | 0 | 0 | 112.2 | M575 H579 R580 C581 P637 | M575-L577 PolarHBondContact O-N 3.48Å; L577-H579 VanDerWaalsContact C-N 3.28Å; L577-H579 PolarHBondContact O-N 3.41Å; L577-R580 WeakPolarHBondContact O-CB 3.31Å; L577-R580 PolarHBondContact O-N 2.83Å; L577-C581 PolarHBondContact O-N 3.26Å; L577-C581 PolarHBondContact O-SG 3.25Å; L577-P637 HydrophobicContact CD2-CG 4.19Å; L577-P637 WeakPolarHBondContact CD2-O 3.41Å |
| 578 | T | 90.1 | Very high | 89 | Confident | 72 Ų | 72 | 41.8 Ų | 41.8 | 44% | 0.442 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.4 | -40.5 | 177.3 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | P576 C581 A582 Y636 | P576-T578 VanDerWaalsContact C-N 3.29Å; P576-T578 PolarHBondContact O-N 3.19Å; T578-C581 PolarHBondContact O-N 3.44Å; T578-A582 WeakPolarHBondContact O-CB 3.43Å; T578-A582 PolarHBondContact O-N 3.04Å; T578-Y636 HydrophobicContact CG2-CD1 4.36Å; T578-Y636 HydrophobicContact CG2-CD2 3.87Å; T578-Y636 HydrophobicContact CG2-CE1 4.36Å; T578-Y636 HydrophobicContact CG2-CE2 3.86Å; T578-Y636 HydrophobicContact CG2-CG 4.13Å |
| 579 | H | 91.6 | Very high | 89.3 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 175.5 | -167.9 | 48.9 | 0 | 0 | 0 | 111.4 | L524 D526 N529 M575 P576 L577 C581 A582 L583 | L524-H579 PolarHBondContact O-CE1 3.48Å; L524-H579 PolarHBondContact O-NE2 2.92Å; D526-H579 PolarHBondContact O-NE2 3.36Å; D526-H579 VanDerWaalsContact O-NE2 3.16Å; N529-H579 VanDerWaalsContact CB-CE1 3.47Å; N529-H579 WeakPolarHBondContact CB-CE1 3.26Å; M575-H579 HydrophobicContact CG-CB 4.05Å; M575-H579 VanDerWaalsContact CG-CD2 3.47Å; M575-H579 WeakPolarHBondContact CG-CD2 3.42Å; M575-H579 HydrophobicContact SD-CB 4.5Å; M575-H579 PolarHBondContact SD-CD2 3.38Å; P576-H579 HydrophobicContact CB-CB 4.2Å; P576-H579 WeakPolarHBondContact O-CB 3.27Å; P576-H579 PolarHBondContact O-N 3.32Å; P576-H579 VanDerWaalsContact O-N 3.08Å; L577-H579 VanDerWaalsContact C-N 3.28Å; L577-H579 PolarHBondContact O-N 3.41Å; H579-C581 VanDerWaalsContact C-N 3.33Å; H579-C581 PolarHBondContact O-N 3.35Å; H579-A582 PolarHBondContact O-N 3.44Å; H579-L583 WeakPolarHBondContact O-CG 3.5Å; H579-L583 PolarHBondContact O-N 2.64Å |
| 580 | R | 92.2 | Very high | 89.6 | Confident | 38 Ų | 38 | 39 Ų | 39 | 14% | 0.143 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.6 | -44.9 | 174.7 | -66.8 | -175.8 | -76.5 | 162.3 | -3.4 | 112 | I568 N572 M575 P576 L577 L583 H584 | I568-R580 HydrophobicContact CG2-CB 3.94Å; I568-R580 HydrophobicContact CG2-CG 3.89Å; N572-R580 PolarHBondContact O-NH1 3.19Å; N572-R580 PolarHBondContact O-NH2 3.38Å; M575-R580 HydrophobicContact CB-CG 3.87Å; M575-R580 HydrophobicContact CG-CG 3.72Å; M575-R580 PolarHBondContact O-NE 2.89Å; M575-R580 HydrophobicContact SD-CG 3.64Å; P576-R580 PolarHBondContact O-N 3.22Å; L577-R580 WeakPolarHBondContact O-CB 3.31Å; L577-R580 PolarHBondContact O-N 2.83Å; R580-L583 PolarHBondContact O-N 3.14Å; R580-H584 PolarHBondContact O-CD2 2.88Å; R580-H584 VanDerWaalsContact O-CD2 3.25Å; R580-H584 PolarHBondContact O-N 3.4Å |
| 581 | C | 93.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 176.2 | -67.7 | 0 | 0 | 0 | 0 | 112.2 | L577 T578 H579 H584 A585 W620 L621 Y636 | L577-C581 PolarHBondContact O-N 3.26Å; L577-C581 PolarHBondContact O-SG 3.25Å; T578-C581 PolarHBondContact O-N 3.44Å; H579-C581 VanDerWaalsContact C-N 3.33Å; H579-C581 PolarHBondContact O-N 3.35Å; C581-H584 PolarHBondContact O-N 3.35Å; C581-A585 WeakPolarHBondContact O-CB 3.47Å; C581-A585 PolarHBondContact O-N 3.4Å; C581-W620 WeakPolarHBondContact CB-O 3.39Å; C581-L621 HydrophobicContact CB-CD2 4.4Å; C581-Y636 HydrophobicContact CB-CD1 4.12Å; C581-Y636 HydrophobicContact CB-CE1 3.9Å |
| 582 | A | 94.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L534 T578 H579 A585 L586 A626 F627 | L534-A582 HydrophobicContact CD1-CB 3.48Å; L534-A582 VanDerWaalsContact CD1-CB 3.48Å; T578-A582 WeakPolarHBondContact O-CB 3.43Å; T578-A582 PolarHBondContact O-N 3.04Å; H579-A582 PolarHBondContact O-N 3.44Å; A582-A585 WeakPolarHBondContact O-CB 3.06Å; A582-A585 PolarHBondContact O-N 3.19Å; A582-L586 WeakPolarHBondContact O-CB 3.36Å; A582-L586 PolarHBondContact O-N 2.94Å; A582-A626 HydrophobicContact CB-CB 4.38Å; A582-F627 HydrophobicContact CB-CE2 4.3Å; A582-F627 HydrophobicContact CB-CZ 4.36Å; A582-F627 WeakPolarHBondContact O-CE2 3.25Å |
| 583 | L | 95.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 173.9 | -68.2 | 179.4 | 0 | 0 | 0 | 111.7 | L524 L525 L534 V564 I568 M575 H579 R580 A585 L586 L587 | L524-L583 HydrophobicContact CB-CD2 4.1Å; L524-L583 HydrophobicContact CD2-CD2 4.02Å; L525-L583 HydrophobicContact CD2-CD1 4.42Å; L534-L583 HydrophobicContact CD2-CD2 3.81Å; V564-L583 HydrophobicContact CG1-CD1 4.35Å; I568-L583 HydrophobicContact CD1-CB 3.51Å; I568-L583 HydrophobicContact CD1-CD1 3.87Å; I568-L583 HydrophobicContact CD1-CG 4.36Å; I568-L583 HydrophobicContact CG1-CB 4.45Å; I568-L583 HydrophobicContact CG1-CD1 3.96Å; M575-L583 HydrophobicContact CE-CD1 4.09Å; M575-L583 HydrophobicContact SD-CD1 3.64Å; H579-L583 WeakPolarHBondContact O-CG 3.5Å; H579-L583 PolarHBondContact O-N 2.64Å; R580-L583 PolarHBondContact O-N 3.14Å; L583-A585 VanDerWaalsContact C-N 3.27Å; L583-A585 PolarHBondContact O-N 2.69Å; L583-L586 PolarHBondContact O-N 3.5Å; L583-L587 WeakPolarHBondContact O-CB 3.37Å; L583-L587 VanDerWaalsContact O-CG 3.25Å; L583-L587 WeakPolarHBondContact O-CG 3.35Å; L583-L587 PolarHBondContact O-N 3.05Å |
| 584 | H | 95.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.4 | -37.7 | 175.3 | -83.5 | -70.2 | 0 | 0 | 0 | 113.2 | I568 R580 C581 A588 R614 L621 I642 | I568-H584 WeakPolarHBondContact CG2-NE2 3.39Å; R580-H584 PolarHBondContact O-CD2 2.88Å; R580-H584 VanDerWaalsContact O-CD2 3.25Å; R580-H584 PolarHBondContact O-N 3.4Å; C581-H584 PolarHBondContact O-N 3.35Å; H584-A588 PolarHBondContact O-N 3.46Å; H584-R614 PolarHBondContact O-NH1 3.17Å; H584-L621 HydrophobicContact CB-CB 4.2Å; H584-L621 HydrophobicContact CB-CD2 3.94Å; H584-I642 WeakPolarHBondContact NE2-CD1 3.49Å |
| 585 | A | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.3 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | C581 A582 L583 A588 S589 L621 P623 A626 F627 | C581-A585 WeakPolarHBondContact O-CB 3.47Å; C581-A585 PolarHBondContact O-N 3.4Å; A582-A585 WeakPolarHBondContact O-CB 3.06Å; A582-A585 PolarHBondContact O-N 3.19Å; L583-A585 VanDerWaalsContact C-N 3.27Å; L583-A585 PolarHBondContact O-N 2.69Å; A585-A588 PolarHBondContact O-N 3.41Å; A585-S589 PolarHBondContact O-N 3.25Å; A585-L621 WeakPolarHBondContact CA-O 3.48Å; A585-L621 PolarHBondContact N-O 3.11Å; A585-P623 HydrophobicContact CB-CG 4.12Å; A585-A626 HydrophobicContact CB-CB 3.65Å; A585-F627 HydrophobicContact CB-CD2 4.17Å; A585-F627 HydrophobicContact CB-CE2 3.91Å |
| 586 | L | 97.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.6 | -48.7 | 174.3 | -174.3 | 158.2 | 0 | 0 | 0 | 110.6 | L524 L534 A582 L583 A588 S589 T590 F627 | L524-L586 HydrophobicContact CD2-CD1 3.71Å; L524-L586 HydrophobicContact CD2-CD2 4.31Å; L534-L586 HydrophobicContact CB-CD1 4.32Å; L534-L586 HydrophobicContact CD2-CD1 4.36Å; L534-L586 WeakPolarHBondContact O-CD1 3.3Å; A582-L586 WeakPolarHBondContact O-CB 3.36Å; A582-L586 PolarHBondContact O-N 2.94Å; L583-L586 PolarHBondContact O-N 3.5Å; L586-A588 VanDerWaalsContact C-N 3.26Å; L586-A588 PolarHBondContact O-N 2.94Å; L586-S589 CarbonylContact O-C 3.28Å; L586-S589 WeakPolarHBondContact O-CA 3.47Å; L586-S589 VanDerWaalsContact O-CB 3.31Å; L586-S589 WeakPolarHBondContact O-CB 3.45Å; L586-S589 PolarHBondContact O-N 3.02Å; L586-T590 PolarHBondContact O-N 3.33Å; L586-T590 PolarHBondContact O-OG1 2.71Å; L586-T590 VanDerWaalsContact O-OG1 3.1Å; L586-F627 HydrophobicContact CB-CE2 4.49Å; L586-F627 HydrophobicContact CB-CZ 4.29Å |
| 587 | L | 97.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 12.9 Ų | 12.9 | 2% | 0.016 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.3 | -37.5 | 177 | -67.2 | -173.8 | 0 | 0 | 0 | 112.3 | I561 V564 Q565 I568 L583 I591 F648 | I561-L587 HydrophobicContact CB-CD2 4.19Å; I561-L587 HydrophobicContact CG1-CD2 4.03Å; I561-L587 HydrophobicContact CG2-CB 4.35Å; I561-L587 HydrophobicContact CG2-CD1 4.45Å; I561-L587 HydrophobicContact CG2-CD2 4.15Å; V564-L587 HydrophobicContact CB-CD1 4.28Å; V564-L587 HydrophobicContact CB-CD2 4.22Å; V564-L587 HydrophobicContact CG1-CD1 4.06Å; V564-L587 HydrophobicContact CG1-CD2 4.24Å; V564-L587 HydrophobicContact CG1-CG 4.42Å; Q565-L587 HydrophobicContact CB-CD1 3.96Å; I568-L587 HydrophobicContact CD1-CD1 4.48Å; L583-L587 WeakPolarHBondContact O-CB 3.37Å; L583-L587 VanDerWaalsContact O-CG 3.25Å; L583-L587 WeakPolarHBondContact O-CG 3.35Å; L583-L587 PolarHBondContact O-N 3.05Å; L587-I591 WeakPolarHBondContact O-CB 3.34Å; L587-I591 WeakPolarHBondContact O-CG2 3.45Å; L587-I591 PolarHBondContact O-N 2.93Å; L587-F648 HydrophobicContact CB-CE2 4.45Å |
| 588 | A | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.2 | -37.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I486 H584 A585 L586 T592 F648 | I486-A588 HydrophobicContact CD1-CB 3.63Å; H584-A588 PolarHBondContact O-N 3.46Å; A585-A588 PolarHBondContact O-N 3.41Å; L586-A588 VanDerWaalsContact C-N 3.26Å; L586-A588 PolarHBondContact O-N 2.94Å; A588-T592 WeakPolarHBondContact O-CG2 3.41Å; A588-T592 PolarHBondContact O-N 3.32Å; A588-T592 PolarHBondContact O-OG1 3.27Å; A588-F648 HydrophobicContact CB-CE2 4.35Å; A588-F648 HydrophobicContact CB-CZ 3.93Å |
| 589 | S | 96.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.014 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.7 | -50.1 | 172.8 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | R485 A585 L586 I591 T592 L593 | R485-S589 PolarHBondContact N-OG 3.18Å; R485-S589 WeakPolarHBondContact O-CA 3.21Å; R485-S589 WeakPolarHBondContact O-CB 3.46Å; R485-S589 PolarHBondContact O-OG 2.87Å; A585-S589 PolarHBondContact O-N 3.25Å; L586-S589 CarbonylContact O-C 3.28Å; L586-S589 WeakPolarHBondContact O-CA 3.47Å; L586-S589 VanDerWaalsContact O-CB 3.31Å; L586-S589 WeakPolarHBondContact O-CB 3.45Å; L586-S589 PolarHBondContact O-N 3.02Å; S589-I591 PolarHBondContact O-N 3.36Å; S589-T592 PolarHBondContact O-N 3.03Å; S589-T592 PolarHBondContact O-OG1 3.3Å; S589-L593 PolarHBondContact O-N 2.82Å |
| 590 | T | 96.4 | Very high | 94.3 | Very high | 7 Ų | 7 | 15.3 Ų | 15.3 | 4% | 0.043 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.2 | -47 | 179.8 | -52.1 | 0 | 0 | 0 | 0 | 112.1 | V541 I561 L586 T592 L593 L594 | V541-T590 HydrophobicContact CG1-CG2 3.41Å; V541-T590 VanDerWaalsContact CG1-CG2 3.41Å; I561-T590 HydrophobicContact CD1-CG2 3.91Å; I561-T590 HydrophobicContact CG1-CG2 4.21Å; L586-T590 PolarHBondContact O-N 3.33Å; L586-T590 PolarHBondContact O-OG1 2.71Å; L586-T590 VanDerWaalsContact O-OG1 3.1Å; T590-T592 VanDerWaalsContact C-N 3.31Å; T590-T592 PolarHBondContact O-N 3.26Å; T590-L593 WeakPolarHBondContact O-CB 3.46Å; T590-L593 PolarHBondContact O-N 3.13Å; T590-L594 HydrophobicContact CG2-CD1 4.18Å; T590-L594 HydrophobicContact CG2-CG 4.33Å; T590-L594 WeakPolarHBondContact O-CG 3.32Å; T590-L594 PolarHBondContact O-N 3.21Å |
| 591 | I | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68 | -32.8 | -176.6 | -153.9 | 177 | 0 | 0 | 0 | 112.1 | F558 I561 L587 S589 L594 V595 I607 F648 I653 | F558-I591 HydrophobicContact CD1-CG1 4.34Å; F558-I591 HydrophobicContact CE1-CD1 4.33Å; F558-I591 HydrophobicContact CE1-CG1 3.81Å; I561-I591 HydrophobicContact CD1-CB 3.89Å; I561-I591 HydrophobicContact CD1-CG1 4.02Å; L587-I591 WeakPolarHBondContact O-CB 3.34Å; L587-I591 WeakPolarHBondContact O-CG2 3.45Å; L587-I591 PolarHBondContact O-N 2.93Å; S589-I591 PolarHBondContact O-N 3.36Å; I591-L594 PolarHBondContact O-N 3.17Å; I591-V595 WeakPolarHBondContact O-CB 3.38Å; I591-V595 WeakPolarHBondContact O-CG2 3.37Å; I591-V595 PolarHBondContact O-N 3.26Å; I591-I607 HydrophobicContact CB-CD1 4.43Å; I591-I607 HydrophobicContact CD1-CD1 3.76Å; I591-I607 HydrophobicContact CD1-CG1 3.97Å; I591-I607 HydrophobicContact CG1-CD1 3.64Å; I591-I607 HydrophobicContact CG1-CG1 4.32Å; I591-I607 HydrophobicContact CG2-CD1 4.16Å; I591-I607 HydrophobicContact CG2-CG1 4.33Å; I591-I607 HydrophobicContact CG2-CG2 3.85Å; I591-F648 HydrophobicContact CD1-CB 4.04Å; I591-F648 HydrophobicContact CD1-CD1 3.94Å; I591-F648 HydrophobicContact CD1-CD2 4.15Å; I591-F648 HydrophobicContact CD1-CE1 4.48Å; I591-F648 HydrophobicContact CD1-CG 3.77Å; I591-F648 HydrophobicContact CG2-CD1 4.31Å; I591-F648 HydrophobicContact CG2-CD2 4.41Å; I591-F648 HydrophobicContact CG2-CE1 3.81Å; I591-F648 HydrophobicContact CG2-CE2 3.9Å; I591-F648 HydrophobicContact CG2-CZ 3.58Å; I591-I653 HydrophobicContact CD1-CD1 3.92Å; I591-I653 HydrophobicContact CD1-CG1 4.47Å |
| 592 | T | 95.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71 | -36.1 | 173.8 | 51 | 0 | 0 | 0 | 0 | 112.2 | I486 Y487 A588 S589 T590 Q596 I607 Y608 I611 | I486-T592 HydrophobicContact CG2-CG2 4.19Å; Y487-T592 PolarHBondContact N-OG1 3.38Å; A588-T592 WeakPolarHBondContact O-CG2 3.41Å; A588-T592 PolarHBondContact O-N 3.32Å; A588-T592 PolarHBondContact O-OG1 3.27Å; S589-T592 PolarHBondContact O-N 3.03Å; S589-T592 PolarHBondContact O-OG1 3.3Å; T590-T592 VanDerWaalsContact C-N 3.31Å; T590-T592 PolarHBondContact O-N 3.26Å; T592-Q596 VanDerWaalsContact O-CG 3.29Å; T592-Q596 WeakPolarHBondContact O-CG 3.37Å; T592-Q596 PolarHBondContact O-N 2.79Å; T592-I607 HydrophobicContact CG2-CG2 3.62Å; T592-Y608 HydrophobicContact CG2-CE1 4.2Å; T592-I611 HydrophobicContact CG2-CD1 3.33Å |
| 593 | L | 95.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.5 | -52.9 | 169.8 | 177.5 | 65.5 | 0 | 0 | 0 | 110.8 | L481 Y487 L492 F496 A545 L546 S589 T590 Q596 L597 | L481-L593 HydrophobicContact CD2-CD2 4.46Å; Y487-L593 HydrophobicContact CD2-CB 3.82Å; Y487-L593 HydrophobicContact CE2-CB 3.8Å; Y487-L593 HydrophobicContact CE2-CD1 4.32Å; L492-L593 HydrophobicContact CD1-CD1 3.84Å; L492-L593 HydrophobicContact CD2-CD1 3.71Å; L492-L593 HydrophobicContact CG-CD1 4.43Å; F496-L593 HydrophobicContact CD2-CD1 4.3Å; F496-L593 HydrophobicContact CE2-CD1 3.74Å; A545-L593 HydrophobicContact CB-CD2 4.44Å; L546-L593 HydrophobicContact CD2-CD1 4.31Å; S589-L593 PolarHBondContact O-N 2.82Å; T590-L593 WeakPolarHBondContact O-CB 3.46Å; T590-L593 PolarHBondContact O-N 3.13Å; L593-Q596 PolarHBondContact O-N 2.8Å; L593-L597 VanDerWaalsContact O-CB 3.28Å; L593-L597 WeakPolarHBondContact O-CB 3.35Å; L593-L597 PolarHBondContact O-N 3.13Å |
| 594 | L | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.9 | -50.5 | -177.1 | -67.1 | 178 | 0 | 0 | 0 | 111.7 | A545 I554 L557 F558 I561 T590 I591 Q596 L597 I598 | A545-L594 HydrophobicContact CB-CD2 3.91Å; I554-L594 HydrophobicContact CD1-CD2 3.94Å; L557-L594 HydrophobicContact CB-CD1 3.77Å; L557-L594 HydrophobicContact CB-CD2 4.2Å; L557-L594 HydrophobicContact CD1-CD2 3.81Å; F558-L594 HydrophobicContact CD1-CD1 4.34Å; F558-L594 HydrophobicContact CD2-CD1 4.21Å; F558-L594 HydrophobicContact CE1-CB 4.35Å; F558-L594 HydrophobicContact CE1-CD1 4.3Å; F558-L594 HydrophobicContact CE2-CB 4.05Å; F558-L594 HydrophobicContact CE2-CD1 4.16Å; F558-L594 HydrophobicContact CG-CD1 4.29Å; F558-L594 HydrophobicContact CZ-CB 3.75Å; F558-L594 HydrophobicContact CZ-CD1 4.21Å; I561-L594 HydrophobicContact CD1-CD1 3.64Å; T590-L594 HydrophobicContact CG2-CD1 4.18Å; T590-L594 HydrophobicContact CG2-CG 4.33Å; T590-L594 WeakPolarHBondContact O-CG 3.32Å; T590-L594 PolarHBondContact O-N 3.21Å; I591-L594 PolarHBondContact O-N 3.17Å; L594-Q596 VanDerWaalsContact C-N 3.26Å; L594-Q596 PolarHBondContact O-N 3.42Å; L594-L597 WeakPolarHBondContact O-CB 3.31Å; L594-L597 PolarHBondContact O-N 3.13Å; L594-I598 WeakPolarHBondContact O-CG1 3.36Å; L594-I598 PolarHBondContact O-N 2.92Å |
| 595 | V | 94 | Very high | 93.1 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.03 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.6 | -33.5 | -177 | 163 | 0 | 0 | 0 | 0 | 113.1 | F558 I591 N599 L600 L603 I607 | F558-V595 HydrophobicContact CE1-CG2 4.24Å; F558-V595 HydrophobicContact CZ-CG2 3.98Å; I591-V595 WeakPolarHBondContact O-CB 3.38Å; I591-V595 WeakPolarHBondContact O-CG2 3.37Å; I591-V595 PolarHBondContact O-N 3.26Å; V595-N599 WeakPolarHBondContact O-CA 3.35Å; V595-N599 PolarHBondContact O-N 3.3Å; V595-L600 HydrophobicContact CG1-CB 4.21Å; V595-L600 WeakPolarHBondContact CG1-O 3.39Å; V595-L600 PolarHBondContact O-N 2.98Å; V595-L603 HydrophobicContact CG2-CB 4.22Å; V595-L603 HydrophobicContact CG2-CD2 3.58Å; V595-L603 HydrophobicContact CG2-CG 3.87Å; V595-I607 HydrophobicContact CB-CD1 3.9Å; V595-I607 HydrophobicContact CG1-CD1 4.28Å; V595-I607 HydrophobicContact CG2-CD1 3.21Å |
| 596 | Q | 92.4 | Very high | 92.9 | Very high | 33 Ų | 33 | 29.8 Ų | 29.8 | 15% | 0.154 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -74.6 | -37.3 | 172.1 | -67.4 | -174.2 | 17.8 | 0 | 0 | 112.9 | Y487 G488 L492 T592 L593 L594 I598 N599 Y608 | Y487-Q596 PolarHBondContact O-NE2 3.31Å; G488-Q596 PolarHBondContact O-NE2 3.11Å; G488-Q596 PolarHBondContact O-OE1 2.97Å; L492-Q596 HydrophobicContact CD1-CB 3.82Å; L492-Q596 HydrophobicContact CD2-CB 4.06Å; L492-Q596 VanDerWaalsContact CD2-OE1 3.23Å; L492-Q596 HydrophobicContact CG-CB 3.65Å; T592-Q596 VanDerWaalsContact O-CG 3.29Å; T592-Q596 WeakPolarHBondContact O-CG 3.37Å; T592-Q596 PolarHBondContact O-N 2.79Å; L593-Q596 PolarHBondContact O-N 2.8Å; L594-Q596 VanDerWaalsContact C-N 3.26Å; L594-Q596 PolarHBondContact O-N 3.42Å; Q596-I598 VanDerWaalsContact C-N 3.34Å; Q596-I598 PolarHBondContact O-N 3.08Å; Q596-N599 PolarHBondContact O-N 3.2Å; Q596-Y608 PolarHBondContact NE2-OH 3.46Å |
| 597 | L | 91.8 | Very high | 92.8 | Very high | 53 Ų | 53 | 29.7 Ų | 29.7 | 28% | 0.277 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.4 | -41.3 | -180 | -175.7 | 64.6 | 0 | 0 | 0 | 111.7 | L492 L498 A545 L546 I554 L593 L594 | L492-L597 HydrophobicContact CD1-CB 3.79Å; L492-L597 HydrophobicContact CD1-CD1 4.18Å; L498-L597 HydrophobicContact CD2-CD1 4.38Å; A545-L597 HydrophobicContact CB-CD2 4.01Å; A545-L597 WeakPolarHBondContact O-CD2 3.46Å; L546-L597 HydrophobicContact CD2-CD1 3.87Å; L546-L597 HydrophobicContact CD2-CD2 4.33Å; I554-L597 HydrophobicContact CD1-CD2 4.04Å; L593-L597 VanDerWaalsContact O-CB 3.28Å; L593-L597 WeakPolarHBondContact O-CB 3.35Å; L593-L597 PolarHBondContact O-N 3.13Å; L594-L597 WeakPolarHBondContact O-CB 3.31Å; L594-L597 PolarHBondContact O-N 3.13Å |
| 598 | I | 90.8 | Very high | 92.7 | Very high | 34 Ų | 34 | 31.8 Ų | 31.8 | 17% | 0.174 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 2.7 | 178 | 58.5 | 160.4 | 0 | 0 | 0 | 114.2 | I554 F558 L594 Q596 L600 L657 Y662 | I554-I598 HydrophobicContact CD1-CG2 4.45Å; I554-I598 HydrophobicContact CG1-CG2 4.2Å; I554-I598 HydrophobicContact CG2-CD1 4.03Å; I554-I598 HydrophobicContact CG2-CG2 4.02Å; F558-I598 HydrophobicContact CE2-CD1 3.84Å; F558-I598 HydrophobicContact CZ-CD1 4.28Å; L594-I598 WeakPolarHBondContact O-CG1 3.36Å; L594-I598 PolarHBondContact O-N 2.92Å; Q596-I598 VanDerWaalsContact C-N 3.34Å; Q596-I598 PolarHBondContact O-N 3.08Å; I598-L600 HydrophobicContact CD1-CD1 3.25Å; I598-L600 HydrophobicContact CD1-CD2 4.23Å; I598-L600 HydrophobicContact CD1-CG 3.44Å; I598-L600 VanDerWaalsContact CD1-CG 3.44Å; I598-L600 HydrophobicContact CG1-CD1 4.06Å; I598-L600 HydrophobicContact CG1-CG 3.77Å; I598-L600 PolarHBondContact O-N 3.07Å; I598-L657 HydrophobicContact CD1-CD2 4.08Å; I598-Y662 HydrophobicContact CD1-CE2 4.46Å; I598-Y662 VanDerWaalsContact CG2-OH 3.3Å; I598-Y662 WeakPolarHBondContact CG2-OH 3.49Å |
| 599 | N | 88.2 | Confident | 92.6 | Very high | 126 Ų | 126 | 36.3 Ų | 36.3 | 67% | 0.674 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 49.7 | 176.9 | -165.6 | 29.4 | 0 | 0 | 0 | 114.3 | V595 Q596 Q601 | V595-N599 WeakPolarHBondContact O-CA 3.35Å; V595-N599 PolarHBondContact O-N 3.3Å; Q596-N599 PolarHBondContact O-N 3.2Å; N599-Q601 PolarHBondContact O-N 2.89Å |
| 600 | L | 88.4 | Confident | 92.5 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | trans | -87.5 | 84.5 | 178 | -70.5 | -175.3 | 0 | 0 | 0 | 112.4 | V595 I598 S602 L603 S604 L657 T660 | V595-L600 HydrophobicContact CG1-CB 4.21Å; V595-L600 WeakPolarHBondContact CG1-O 3.39Å; V595-L600 PolarHBondContact O-N 2.98Å; I598-L600 HydrophobicContact CD1-CD1 3.25Å; I598-L600 HydrophobicContact CD1-CD2 4.23Å; I598-L600 HydrophobicContact CD1-CG 3.44Å; I598-L600 VanDerWaalsContact CD1-CG 3.44Å; I598-L600 HydrophobicContact CG1-CD1 4.06Å; I598-L600 HydrophobicContact CG1-CG 3.77Å; I598-L600 PolarHBondContact O-N 3.07Å; L600-S602 VanDerWaalsContact C-N 3.33Å; L600-S602 PolarHBondContact O-N 3.12Å; L600-L603 HydrophobicContact CB-CB 4.03Å; L600-L603 HydrophobicContact CD1-CB 4.41Å; L600-L603 HydrophobicContact CD1-CD2 4.01Å; L600-L603 PolarHBondContact O-N 2.61Å; L600-S604 PolarHBondContact O-N 3.06Å; L600-L657 HydrophobicContact CD1-CD2 3.93Å; L600-L657 HydrophobicContact CD1-CG 4.5Å; L600-T660 HydrophobicContact CD2-CG2 3.3Å; L600-T660 WeakPolarHBondContact CD2-OG1 3.34Å | ||
| 601 | Q | 83.7 | Confident | 92.5 | Very high | 111 Ų | 111 | 36.1 Ų | 36.1 | 52% | 0.519 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.6 | -40 | -177.7 | -167.8 | 62.5 | 24.8 | 0 | 0 | 113.6 | N599 L603 S604 | N599-Q601 PolarHBondContact O-N 2.89Å; Q601-L603 VanDerWaalsContact C-N 3.32Å; Q601-L603 PolarHBondContact O-N 3.47Å; Q601-S604 VanDerWaalsContact O-CB 3.28Å; Q601-S604 WeakPolarHBondContact O-CB 3.25Å; Q601-S604 PolarHBondContact O-N 2.82Å |
| 602 | S | 85.1 | Confident | 92.5 | Very high | 70 Ų | 70 | 39.8 Ų | 39.8 | 49% | 0.49 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.4 | -38 | -179.6 | 59.2 | 0 | 0 | 0 | 0 | 112.7 | L600 S656 | L600-S602 VanDerWaalsContact C-N 3.33Å; L600-S602 PolarHBondContact O-N 3.12Å; S602-S656 PolarHBondContact OG-OG 3.26Å |
| 603 | L | 92.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -79.6 | -30.1 | -179.7 | -171.3 | 55 | 0 | 0 | 0 | 111.7 | F558 V595 L600 Q601 E605 H606 I607 K652 I653 | F558-L603 HydrophobicContact CE1-CD2 3.96Å; F558-L603 HydrophobicContact CZ-CD2 4.21Å; V595-L603 HydrophobicContact CG2-CB 4.22Å; V595-L603 HydrophobicContact CG2-CD2 3.58Å; V595-L603 HydrophobicContact CG2-CG 3.87Å; L600-L603 HydrophobicContact CB-CB 4.03Å; L600-L603 HydrophobicContact CD1-CB 4.41Å; L600-L603 HydrophobicContact CD1-CD2 4.01Å; L600-L603 PolarHBondContact O-N 2.61Å; Q601-L603 VanDerWaalsContact C-N 3.32Å; Q601-L603 PolarHBondContact O-N 3.47Å; L603-E605 VanDerWaalsContact C-N 3.34Å; L603-E605 PolarHBondContact O-N 2.9Å; L603-H606 PolarHBondContact O-N 2.87Å; L603-I607 HydrophobicContact CD1-CD1 4.44Å; L603-I607 HydrophobicContact CD1-CG1 4.47Å; L603-I607 HydrophobicContact CD2-CD1 4.26Å; L603-I607 HydrophobicContact CG-CD1 3.75Å; L603-I607 HydrophobicContact CG-CG1 4.26Å; L603-I607 WeakPolarHBondContact O-CG1 3.5Å; L603-I607 PolarHBondContact O-N 3.31Å; L603-K652 HydrophobicContact CD1-CB 4.49Å; L603-I653 HydrophobicContact CD1-CG1 3.83Å; L603-I653 HydrophobicContact CD2-CG1 4.11Å |
| 604 | S | 92.3 | Very high | 92.5 | Very high | 8 Ų | 8 | 44.4 Ų | 44.4 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.8 | -48.6 | 176.9 | -168.8 | 0 | 0 | 0 | 0 | 112.1 | L600 Q601 H606 I607 Y608 | L600-S604 PolarHBondContact O-N 3.06Å; Q601-S604 VanDerWaalsContact O-CB 3.28Å; Q601-S604 WeakPolarHBondContact O-CB 3.25Å; Q601-S604 PolarHBondContact O-N 2.82Å; S604-H606 VanDerWaalsContact C-N 3.35Å; S604-H606 PolarHBondContact O-N 3.4Å; S604-I607 PolarHBondContact O-N 3.4Å; S604-Y608 WeakPolarHBondContact O-CD2 3.44Å; S604-Y608 PolarHBondContact O-N 3.3Å; S604-Y608 VanDerWaalsContact OG-CD2 3.31Å; S604-Y608 WeakPolarHBondContact OG-CD2 3.33Å; S604-Y608 WeakPolarHBondContact OG-CE2 3.4Å |
| 605 | E | 91.4 | Very high | 92.6 | Very high | 134 Ų | 134 | 50.7 Ų | 50.7 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59 | -44 | 179.4 | -67.5 | -176.3 | 178.7 | 0 | 0 | 112.4 | L603 T609 | L603-E605 VanDerWaalsContact C-N 3.34Å; L603-E605 PolarHBondContact O-N 2.9Å; E605-T609 WeakPolarHBondContact O-CB 3.42Å; E605-T609 PolarHBondContact O-N 3.45Å; E605-T609 PolarHBondContact O-OG1 2.82Å |
| 606 | H | 93.4 | Very high | 92.6 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 11% | 0.106 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 176.6 | 173.1 | 66 | 0 | 0 | 0 | 111.5 | L603 S604 Y608 T609 V610 S649 K652 | L603-H606 PolarHBondContact O-N 2.87Å; S604-H606 VanDerWaalsContact C-N 3.35Å; S604-H606 PolarHBondContact O-N 3.4Å; H606-Y608 PolarHBondContact O-N 3.42Å; H606-T609 WeakPolarHBondContact O-CB 3.44Å; H606-T609 PolarHBondContact O-N 3.4Å; H606-V610 WeakPolarHBondContact O-CG2 3.41Å; H606-V610 PolarHBondContact O-N 2.97Å; H606-S649 PolarHBondContact NE2-N 3.04Å; H606-K652 HydrophobicContact CB-CD 3.9Å; H606-K652 WeakPolarHBondContact ND1-CD 3.42Å; H606-K652 PolarHBondContact ND1-NZ 3.21Å |
| 607 | I | 95 | Very high | 92.6 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.5 | -47.9 | -178.7 | -71.4 | 167.7 | 0 | 0 | 0 | 111.1 | I591 T592 V595 L603 S604 T609 V610 I611 F648 | I591-I607 HydrophobicContact CB-CD1 4.43Å; I591-I607 HydrophobicContact CD1-CD1 3.76Å; I591-I607 HydrophobicContact CD1-CG1 3.97Å; I591-I607 HydrophobicContact CG1-CD1 3.64Å; I591-I607 HydrophobicContact CG1-CG1 4.32Å; I591-I607 HydrophobicContact CG2-CD1 4.16Å; I591-I607 HydrophobicContact CG2-CG1 4.33Å; I591-I607 HydrophobicContact CG2-CG2 3.85Å; T592-I607 HydrophobicContact CG2-CG2 3.62Å; V595-I607 HydrophobicContact CB-CD1 3.9Å; V595-I607 HydrophobicContact CG1-CD1 4.28Å; V595-I607 HydrophobicContact CG2-CD1 3.21Å; L603-I607 HydrophobicContact CD1-CD1 4.44Å; L603-I607 HydrophobicContact CD1-CG1 4.47Å; L603-I607 HydrophobicContact CD2-CD1 4.26Å; L603-I607 HydrophobicContact CG-CD1 3.75Å; L603-I607 HydrophobicContact CG-CG1 4.26Å; L603-I607 WeakPolarHBondContact O-CG1 3.5Å; L603-I607 PolarHBondContact O-N 3.31Å; S604-I607 PolarHBondContact O-N 3.4Å; I607-T609 VanDerWaalsContact C-N 3.29Å; I607-T609 PolarHBondContact O-N 2.88Å; I607-V610 PolarHBondContact O-N 3.39Å; I607-I611 HydrophobicContact CG2-CD1 3.66Å; I607-I611 HydrophobicContact CG2-CG1 4.4Å; I607-I611 VanDerWaalsContact O-CG1 3.31Å; I607-I611 WeakPolarHBondContact O-CG1 3.28Å; I607-I611 PolarHBondContact O-N 2.96Å; I607-F648 HydrophobicContact CG1-CD1 4.26Å; I607-F648 HydrophobicContact CG1-CE1 4.39Å; I607-F648 HydrophobicContact CG2-CE1 4.1Å |
| 608 | Y | 94.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 54.1 Ų | 54.1 | 18% | 0.184 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.6 | -28.9 | 179.7 | -73.3 | -62.3 | 0 | 0 | 0 | 112.5 | I486 Y487 E489 T592 Q596 S604 H606 I611 Q612 | I486-Y608 HydrophobicContact CG2-CE1 4.37Å; Y487-Y608 WeakPolarHBondContact O-CE1 3.46Å; Y487-Y608 PolarHBondContact O-OH 3.17Å; E489-Y608 HydrophobicContact CG-CE2 3.99Å; T592-Y608 HydrophobicContact CG2-CE1 4.2Å; Q596-Y608 PolarHBondContact NE2-OH 3.46Å; S604-Y608 WeakPolarHBondContact O-CD2 3.44Å; S604-Y608 PolarHBondContact O-N 3.3Å; S604-Y608 VanDerWaalsContact OG-CD2 3.31Å; S604-Y608 WeakPolarHBondContact OG-CD2 3.33Å; S604-Y608 WeakPolarHBondContact OG-CE2 3.4Å; H606-Y608 PolarHBondContact O-N 3.42Å; Y608-I611 HydrophobicContact CD1-CD1 4.1Å; Y608-I611 HydrophobicContact CE1-CD1 4.38Å; Y608-I611 PolarHBondContact O-N 3.34Å; Y608-Q612 VanDerWaalsContact O-CB 3.3Å; Y608-Q612 WeakPolarHBondContact O-CB 3.33Å; Y608-Q612 PolarHBondContact O-N 3.27Å |
| 609 | T | 94.7 | Very high | 92.9 | Very high | 94 Ų | 94 | 54.8 Ų | 54.8 | 58% | 0.577 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.3 | -46.2 | 169.5 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | E605 H606 I607 Q612 R613 | E605-T609 WeakPolarHBondContact O-CB 3.42Å; E605-T609 PolarHBondContact O-N 3.45Å; E605-T609 PolarHBondContact O-OG1 2.82Å; H606-T609 WeakPolarHBondContact O-CB 3.44Å; H606-T609 PolarHBondContact O-N 3.4Å; I607-T609 VanDerWaalsContact C-N 3.29Å; I607-T609 PolarHBondContact O-N 2.88Å; T609-Q612 PolarHBondContact O-N 3.11Å; T609-R613 WeakPolarHBondContact O-CB 3.25Å; T609-R613 PolarHBondContact O-N 3.42Å |
| 610 | V | 96.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.6 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | H606 I607 R613 R614 L646 F648 | H606-V610 WeakPolarHBondContact O-CG2 3.41Å; H606-V610 PolarHBondContact O-N 2.97Å; I607-V610 PolarHBondContact O-N 3.39Å; V610-R613 PolarHBondContact O-N 3.16Å; V610-R614 WeakPolarHBondContact O-CG 3.37Å; V610-R614 PolarHBondContact O-N 3.42Å; V610-L646 WeakPolarHBondContact CG1-O 3.47Å; V610-F648 HydrophobicContact CB-CD1 4.23Å; V610-F648 HydrophobicContact CB-CE1 4.02Å; V610-F648 HydrophobicContact CG1-CD1 4.04Å; V610-F648 HydrophobicContact CG1-CE1 3.76Å; V610-F648 HydrophobicContact CG1-CZ 4.36Å; V610-F648 HydrophobicContact CG2-CD1 4.42Å |
| 611 | I | 96.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | 177.4 | -70 | 168.1 | 0 | 0 | 0 | 111.3 | I486 T592 I607 Y608 R613 R614 R615 L622 | I486-I611 HydrophobicContact CD1-CD1 4.23Å; I486-I611 HydrophobicContact CG2-CD1 3.91Å; I486-I611 HydrophobicContact CG2-CG2 4.29Å; T592-I611 HydrophobicContact CG2-CD1 3.33Å; I607-I611 HydrophobicContact CG2-CD1 3.66Å; I607-I611 HydrophobicContact CG2-CG1 4.4Å; I607-I611 VanDerWaalsContact O-CG1 3.31Å; I607-I611 WeakPolarHBondContact O-CG1 3.28Å; I607-I611 PolarHBondContact O-N 2.96Å; Y608-I611 HydrophobicContact CD1-CD1 4.1Å; Y608-I611 HydrophobicContact CE1-CD1 4.38Å; Y608-I611 PolarHBondContact O-N 3.34Å; I611-R613 VanDerWaalsContact C-N 3.33Å; I611-R614 PolarHBondContact O-N 3.14Å; I611-R615 WeakPolarHBondContact O-CB 3.38Å; I611-R615 PolarHBondContact O-N 2.94Å; I611-L622 HydrophobicContact CG2-CD2 4.12Å |
| 612 | Q | 95.6 | Very high | 94 | Very high | 77 Ų | 77 | 45.8 Ų | 45.8 | 36% | 0.36 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 176 | -175.3 | 56.2 | 40.8 | 0 | 0 | 110.7 | Y608 T609 R614 R615 D616 | Y608-Q612 VanDerWaalsContact O-CB 3.3Å; Y608-Q612 WeakPolarHBondContact O-CB 3.33Å; Y608-Q612 PolarHBondContact O-N 3.27Å; T609-Q612 PolarHBondContact O-N 3.11Å; Q612-R614 PolarHBondContact O-N 3.47Å; Q612-R615 WeakPolarHBondContact O-CB 3.34Å; Q612-R615 PolarHBondContact O-N 3.15Å; Q612-R615 VanDerWaalsContact O-N 3.12Å; Q612-D616 PolarHBondContact NE2-OD1 3.35Å; Q612-D616 PolarHBondContact NE2-OD2 3.44Å; Q612-D616 PolarHBondContact O-N 2.96Å |
| 613 | R | 95.8 | Very high | 94.5 | Very high | 102 Ų | 102 | 43 Ų | 43 | 39% | 0.385 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.7 | -45 | 175.5 | -168.7 | 59.7 | 170.9 | 166.3 | 1.9 | 112.2 | T609 V610 I611 R615 D616 I617 D645 L646 | T609-R613 WeakPolarHBondContact O-CB 3.25Å; T609-R613 PolarHBondContact O-N 3.42Å; V610-R613 PolarHBondContact O-N 3.16Å; I611-R613 VanDerWaalsContact C-N 3.33Å; R613-R615 VanDerWaalsContact C-N 3.29Å; R613-R615 PolarHBondContact O-N 3.36Å; R613-D616 PolarHBondContact O-N 3.28Å; R613-D616 VanDerWaalsContact O-N 3.15Å; R613-I617 HydrophobicContact CG-CD1 4.2Å; R613-I617 HydrophobicContact CG-CG1 4.23Å; R613-I617 WeakPolarHBondContact O-CG1 3.37Å; R613-I617 PolarHBondContact O-N 3.26Å; R613-D645 IonicContact CZ-OD2 3.83Å; R613-D645 IonicContact NE-OD2 3.14Å; R613-D645 PolarHBondContact NE-OD2 2.8Å; R613-D645 IonicContact NH2-OD2 2.75Å; R613-D645 PolarHBondContact NH2-OD2 3.33Å; R613-L646 HydrophobicContact CB-CD2 4.25Å; R613-L646 HydrophobicContact CG-CD2 3.78Å |
| 614 | R | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.1 | -41.7 | 172.3 | -72.5 | 177.8 | -176.4 | -172.8 | 9.7 | 111.5 | H584 V610 I611 Q612 D616 A618 P619 L621 L622 L646 | H584-R614 PolarHBondContact O-NH1 3.17Å; V610-R614 WeakPolarHBondContact O-CG 3.37Å; V610-R614 PolarHBondContact O-N 3.42Å; I611-R614 PolarHBondContact O-N 3.14Å; Q612-R614 PolarHBondContact O-N 3.47Å; R614-D616 VanDerWaalsContact C-N 3.28Å; R614-D616 PolarHBondContact O-N 3.4Å; R614-A618 CarbonylContact O-C 3.6Å; R614-A618 VanDerWaalsContact O-CA 3.32Å; R614-A618 WeakPolarHBondContact O-CA 3.28Å; R614-A618 PolarHBondContact O-N 2.95Å; R614-A618 VanDerWaalsContact O-O 3.11Å; R614-P619 WeakPolarHBondContact O-CA 3.33Å; R614-L621 HydrophobicContact CG-CB 4.23Å; R614-L621 HydrophobicContact CG-CD1 4.39Å; R614-L622 HydrophobicContact CB-CD1 4.3Å; R614-L622 HydrophobicContact CB-CD2 3.97Å; R614-L622 HydrophobicContact CB-CG 3.98Å; R614-L646 HydrophobicContact CB-CD2 4.41Å; R614-L646 HydrophobicContact CG-CB 4.46Å; R614-L646 HydrophobicContact CG-CD2 3.74Å; R614-L646 VanDerWaalsContact CZ-O 3.28Å; R614-L646 PolarHBondContact NE-O 3.21Å; R614-L646 PolarHBondContact NH2-O 2.97Å |
| 615 | R | 95.6 | Very high | 94.7 | Very high | 132 Ų | 132 | 48.1 Ų | 48.1 | 50% | 0.498 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.5 | -38.6 | 176.7 | -173.6 | 178.4 | -70.8 | 133.4 | -2.6 | 112.2 | I611 Q612 R613 L622 | I611-R615 WeakPolarHBondContact O-CB 3.38Å; I611-R615 PolarHBondContact O-N 2.94Å; Q612-R615 WeakPolarHBondContact O-CB 3.34Å; Q612-R615 PolarHBondContact O-N 3.15Å; Q612-R615 VanDerWaalsContact O-N 3.12Å; R613-R615 VanDerWaalsContact C-N 3.29Å; R613-R615 PolarHBondContact O-N 3.36Å; R615-L622 HydrophobicContact CB-CD1 3.82Å; R615-L622 HydrophobicContact CG-CD1 4.44Å |
| 616 | D | 94.6 | Very high | 94.8 | Very high | 99 Ų | 99 | 41.9 Ų | 41.9 | 53% | 0.529 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -78.9 | -40.6 | -175.5 | -63.4 | -22.5 | 0 | 0 | 0 | 113.3 | Q612 R613 R614 | Q612-D616 PolarHBondContact NE2-OD1 3.35Å; Q612-D616 PolarHBondContact NE2-OD2 3.44Å; Q612-D616 PolarHBondContact O-N 2.96Å; R613-D616 PolarHBondContact O-N 3.28Å; R613-D616 VanDerWaalsContact O-N 3.15Å; R614-D616 VanDerWaalsContact C-N 3.28Å; R614-D616 PolarHBondContact O-N 3.4Å |
| 617 | I | 93.3 | Very high | 94.8 | Very high | 64 Ų | 64 | 41.6 Ų | 41.6 | 33% | 0.328 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -122.7 | -15.7 | -170.5 | 63.4 | 159.6 | 0 | 0 | 0 | 115.5 | R613 W620 L646 | R613-I617 HydrophobicContact CG-CD1 4.2Å; R613-I617 HydrophobicContact CG-CG1 4.23Å; R613-I617 WeakPolarHBondContact O-CG1 3.37Å; R613-I617 PolarHBondContact O-N 3.26Å; I617-W620 WeakPolarHBondContact O-CH2 3.27Å; I617-L646 HydrophobicContact CD1-CD1 4.24Å; I617-L646 HydrophobicContact CD1-CD2 3.94Å; I617-L646 HydrophobicContact CD1-CG 4.3Å; I617-L646 HydrophobicContact CG1-CD2 3.93Å |
| 618 | A | 93.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -147.3 | 58.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R614 W620 L621 L646 | R614-A618 CarbonylContact O-C 3.6Å; R614-A618 VanDerWaalsContact O-CA 3.32Å; R614-A618 WeakPolarHBondContact O-CA 3.28Å; R614-A618 PolarHBondContact O-N 2.95Å; R614-A618 VanDerWaalsContact O-O 3.11Å; A618-W620 HydrophobicContact CB-CH2 4.43Å; A618-W620 HydrophobicContact CB-CZ2 3.79Å; A618-W620 PolarHBondContact O-N 3.06Å; A618-W620 VanDerWaalsContact O-N 3.11Å; A618-L621 HydrophobicContact CB-CD1 3.83Å; A618-L621 HydrophobicContact CB-CG 4.08Å; A618-L621 WeakPolarHBondContact O-CB 3.38Å; A618-L621 PolarHBondContact O-N 3.42Å; A618-L646 HydrophobicContact CB-CD1 3.91Å; A618-L646 HydrophobicContact CB-CD2 4.33Å | ||
| 619 | P | 94.1 | Very high | 94.4 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 31% | 0.312 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -63.3 | -21.1 | -172.3 | 24.9 | -35.7 | 0 | 0 | 0 | 113.4 | R614 L621 L622 V625 | R614-P619 WeakPolarHBondContact O-CA 3.33Å; P619-L621 PolarHBondContact O-N 3.09Å; P619-L622 WeakPolarHBondContact O-CB 3.4Å; P619-L622 PolarHBondContact O-N 3.24Å; P619-V625 HydrophobicContact CB-CG2 4.2Å; P619-V625 WeakPolarHBondContact O-CB 3.35Å; P619-V625 WeakPolarHBondContact O-CG2 3.48Å |
| 620 | W | 93.4 | Very high | 94.2 | Very high | 48 Ų | 48 | 51.4 Ų | 51.4 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -62.6 | -15 | 171.3 | 53.8 | 84.1 | 0 | 0 | 0 | 114 | C581 I617 A618 L622 V625 Y636 P637 F640 | C581-W620 WeakPolarHBondContact CB-O 3.39Å; I617-W620 WeakPolarHBondContact O-CH2 3.27Å; A618-W620 HydrophobicContact CB-CH2 4.43Å; A618-W620 HydrophobicContact CB-CZ2 3.79Å; A618-W620 PolarHBondContact O-N 3.06Å; A618-W620 VanDerWaalsContact O-N 3.11Å; W620-L622 VanDerWaalsContact C-N 3.3Å; W620-V625 HydrophobicContact CB-CG1 4.14Å; W620-Y636 HydrophobicContact CB-CD1 3.96Å; W620-Y636 HydrophobicContact CB-CE1 4.29Å; W620-P637 HydrophobicContact CD2-CG 4.1Å; W620-P637 HydrophobicContact CG-CG 4.45Å; W620-P637 HydrophobicContact CZ2-CB 4.43Å; W620-P637 HydrophobicContact CZ2-CG 3.91Å; W620-F640 HydrophobicContact CZ2-CD2 4.33Å; W620-F640 HydrophobicContact CZ2-CG 4.49Å |
| 621 | L | 94.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -88.8 | 8.5 | 172.9 | -55.7 | -178.8 | 0 | 0 | 0 | 113.3 | C581 H584 A585 R614 A618 P619 F640 L646 | C581-L621 HydrophobicContact CB-CD2 4.4Å; H584-L621 HydrophobicContact CB-CB 4.2Å; H584-L621 HydrophobicContact CB-CD2 3.94Å; A585-L621 WeakPolarHBondContact CA-O 3.48Å; A585-L621 PolarHBondContact N-O 3.11Å; R614-L621 HydrophobicContact CG-CB 4.23Å; R614-L621 HydrophobicContact CG-CD1 4.39Å; A618-L621 HydrophobicContact CB-CD1 3.83Å; A618-L621 HydrophobicContact CB-CG 4.08Å; A618-L621 WeakPolarHBondContact O-CB 3.38Å; A618-L621 PolarHBondContact O-N 3.42Å; P619-L621 PolarHBondContact O-N 3.09Å; L621-F640 HydrophobicContact CD1-CE1 4.35Å; L621-L646 HydrophobicContact CD1-CB 4.47Å; L621-L646 HydrophobicContact CD1-CD1 4.17Å |
| 622 | L | 96.5 | Very high | 93.2 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -114.3 | 151.6 | 178.7 | -65.5 | 175.4 | 0 | 0 | 0 | 111.5 | I486 I611 R614 R615 P619 W620 S624 V625 A626 | I486-L622 HydrophobicContact CD1-CD2 4.45Å; I611-L622 HydrophobicContact CG2-CD2 4.12Å; R614-L622 HydrophobicContact CB-CD1 4.3Å; R614-L622 HydrophobicContact CB-CD2 3.97Å; R614-L622 HydrophobicContact CB-CG 3.98Å; R615-L622 HydrophobicContact CB-CD1 3.82Å; R615-L622 HydrophobicContact CG-CD1 4.44Å; P619-L622 WeakPolarHBondContact O-CB 3.4Å; P619-L622 PolarHBondContact O-N 3.24Å; W620-L622 VanDerWaalsContact C-N 3.3Å; L622-S624 PolarHBondContact O-N 3.25Å; L622-S624 VanDerWaalsContact O-N 3.13Å; L622-V625 PolarHBondContact O-N 3.01Å; L622-V625 VanDerWaalsContact O-N 3.09Å; L622-A626 PolarHBondContact O-N 3.4Å |
| 623 | P | 95.6 | Very high | 92.4 | Very high | 10 Ų | 10 | 59.5 Ų | 59.5 | 7% | 0.065 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.5 | -33.6 | -177.2 | -26.3 | 33.6 | 0 | 0 | 0 | 114.6 | V484 I486 A585 V625 F627 | V484-P623 HydrophobicContact CB-CB 4.46Å; V484-P623 HydrophobicContact CG1-CB 4.05Å; V484-P623 HydrophobicContact CG1-CG 3.96Å; V484-P623 WeakPolarHBondContact O-CB 3.3Å; I486-P623 HydrophobicContact CD1-CG 4.03Å; I486-P623 HydrophobicContact CG1-CG 4.27Å; A585-P623 HydrophobicContact CB-CG 4.12Å; P623-V625 PolarHBondContact O-N 2.99Å; P623-V625 VanDerWaalsContact O-N 3.09Å; P623-F627 HydrophobicContact CB-CD2 4.39Å; P623-F627 PolarHBondContact O-N 2.92Å; P623-F627 VanDerWaalsContact O-N 3.1Å |
| 624 | S | 93.3 | Very high | 91.8 | Very high | 89 Ų | 89 | 61.8 Ų | 61.8 | 62% | 0.622 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.1 | -22.5 | 179.6 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | L622 | L622-S624 PolarHBondContact O-N 3.25Å; L622-S624 VanDerWaalsContact O-N 3.13Å |
| 625 | V | 93.6 | Very high | 91.4 | Very high | 29 Ų | 29 | 63.7 Ų | 63.7 | 18% | 0.176 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -110.6 | -50.3 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | P619 W620 L622 P623 F627 N628 N631 | P619-V625 HydrophobicContact CB-CG2 4.2Å; P619-V625 WeakPolarHBondContact O-CB 3.35Å; P619-V625 WeakPolarHBondContact O-CG2 3.48Å; W620-V625 HydrophobicContact CB-CG1 4.14Å; L622-V625 PolarHBondContact O-N 3.01Å; L622-V625 VanDerWaalsContact O-N 3.09Å; P623-V625 PolarHBondContact O-N 2.99Å; P623-V625 VanDerWaalsContact O-N 3.09Å; V625-F627 VanDerWaalsContact C-N 3.29Å; V625-F627 PolarHBondContact O-N 3.02Å; V625-N628 PolarHBondContact O-N 2.85Å; V625-N628 VanDerWaalsContact O-N 3.15Å; V625-N631 WeakPolarHBondContact CA-ND2 3.47Å; V625-N631 WeakPolarHBondContact CG1-ND2 3.17Å; V625-N631 PolarHBondContact O-ND2 3.5Å |
| 626 | A | 93.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.017 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.1 | -29.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V531 A582 A585 L622 | V531-A626 WeakPolarHBondContact CG1-O 3.48Å; A582-A626 HydrophobicContact CB-CB 4.38Å; A585-A626 HydrophobicContact CB-CB 3.65Å; L622-A626 PolarHBondContact O-N 3.4Å |
| 627 | F | 94.3 | Very high | 90.8 | Very high | 18 Ų | 18 | 55.7 Ų | 55.7 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 6.2 | 178.5 | -72.2 | -96.8 | 0 | 0 | 0 | 112.9 | V484 V531 L534 E535 A582 A585 L586 P623 V625 R629 | V484-F627 HydrophobicContact CB-CD1 4.21Å; V484-F627 HydrophobicContact CB-CD2 4.08Å; V484-F627 HydrophobicContact CB-CE1 4.24Å; V484-F627 HydrophobicContact CB-CE2 4.1Å; V484-F627 HydrophobicContact CB-CG 4.14Å; V484-F627 HydrophobicContact CB-CZ 4.19Å; V484-F627 HydrophobicContact CG1-CD2 4.08Å; V484-F627 HydrophobicContact CG1-CE2 3.8Å; V484-F627 HydrophobicContact CG1-CZ 4.12Å; V484-F627 HydrophobicContact CG2-CD1 3.94Å; V484-F627 HydrophobicContact CG2-CD2 4.5Å; V484-F627 HydrophobicContact CG2-CE1 3.63Å; V484-F627 HydrophobicContact CG2-CE2 4.23Å; V484-F627 HydrophobicContact CG2-CG 4.37Å; V484-F627 HydrophobicContact CG2-CZ 3.79Å; V531-F627 HydrophobicContact CB-CD1 3.99Å; V531-F627 HydrophobicContact CB-CE1 4.31Å; V531-F627 HydrophobicContact CG1-CD1 4.4Å; L534-F627 HydrophobicContact CB-CE1 3.85Å; L534-F627 HydrophobicContact CB-CZ 4.02Å; L534-F627 HydrophobicContact CD1-CZ 4.49Å; E535-F627 HydrophobicContact CG-CD1 3.69Å; E535-F627 HydrophobicContact CG-CE1 3.86Å; A582-F627 HydrophobicContact CB-CE2 4.3Å; A582-F627 HydrophobicContact CB-CZ 4.36Å; A582-F627 WeakPolarHBondContact O-CE2 3.25Å; A585-F627 HydrophobicContact CB-CD2 4.17Å; A585-F627 HydrophobicContact CB-CE2 3.91Å; L586-F627 HydrophobicContact CB-CE2 4.49Å; L586-F627 HydrophobicContact CB-CZ 4.29Å; P623-F627 HydrophobicContact CB-CD2 4.39Å; P623-F627 PolarHBondContact O-N 2.92Å; P623-F627 VanDerWaalsContact O-N 3.1Å; V625-F627 VanDerWaalsContact C-N 3.29Å; V625-F627 PolarHBondContact O-N 3.02Å; F627-R629 PolarHBondContact O-N 3.38Å |
| 628 | N | 92.5 | Very high | 90.1 | Very high | 62 Ų | 62 | 59.5 Ų | 59.5 | 33% | 0.332 | 33% | 0.331 | S | S | . | . | trans | -79.8 | 110.5 | 176.2 | -177.3 | 2.8 | 0 | 0 | 0 | 110.6 | V625 T630 N631 | V625-N628 PolarHBondContact O-N 2.85Å; V625-N628 VanDerWaalsContact O-N 3.15Å; N628-T630 PolarHBondContact ND2-OG1 3.28Å; N628-T630 PolarHBondContact O-N 3.5Å; N628-T630 VanDerWaalsContact O-N 3.1Å; N628-T630 PolarHBondContact OD1-N 2.93Å; N628-T630 PolarHBondContact OD1-OG1 3.1Å; N628-N631 PolarHBondContact ND2-OD1 2.96Å; N628-N631 WeakPolarHBondContact O-CB 3.32Å; N628-N631 PolarHBondContact O-N 3.31Å; N628-N631 VanDerWaalsContact O-N 3.14Å | ||
| 629 | R | 89.1 | Confident | 89.2 | Confident | 175 Ų | 175 | 67.6 Ų | 67.6 | 66% | 0.66 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -13 | 180 | -59.2 | -174.6 | -176.3 | -173.6 | -0.6 | 114.1 | E535 F627 | E535-R629 IonicContact OE2-NH2 4Å; E535-R629 PolarHBondContact OE2-NH2 2.99Å; E535-R629 VanDerWaalsContact OE2-NH2 3.16Å; F627-R629 PolarHBondContact O-N 3.38Å |
| 630 | T | 89.5 | Confident | 88.4 | Confident | 110 Ų | 110 | 68 Ų | 68 | 68% | 0.675 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -7.1 | 176.5 | 71.3 | 0 | 0 | 0 | 0 | 114.1 | N628 | N628-T630 PolarHBondContact ND2-OG1 3.28Å; N628-T630 PolarHBondContact O-N 3.5Å; N628-T630 VanDerWaalsContact O-N 3.1Å; N628-T630 PolarHBondContact OD1-N 2.93Å; N628-T630 PolarHBondContact OD1-OG1 3.1Å |
| 631 | N | 87 | Confident | 87.6 | Confident | 46 Ų | 46 | 73.7 Ų | 73.7 | 25% | 0.246 | 40% | 0.395 | C | S | . | . | trans | -75 | 142 | -175.9 | -75.7 | -7.4 | 0 | 0 | 0 | 112.1 | V625 N628 Y636 | V625-N631 WeakPolarHBondContact CA-ND2 3.47Å; V625-N631 WeakPolarHBondContact CG1-ND2 3.17Å; V625-N631 PolarHBondContact O-ND2 3.5Å; N628-N631 PolarHBondContact ND2-OD1 2.96Å; N628-N631 WeakPolarHBondContact O-CB 3.32Å; N628-N631 PolarHBondContact O-N 3.31Å; N628-N631 VanDerWaalsContact O-N 3.14Å; N631-Y636 HydrophobicContact CB-CE2 4.39Å | ||
| 632 | T | 84.6 | Confident | 87 | Confident | 79 Ų | 79 | 75.6 Ų | 75.6 | 49% | 0.485 | 40% | 0.404 | S | S | . | . | trans | -102.1 | 175 | 175.8 | 64.7 | 0 | 0 | 0 | 0 | 110.7 | D634 S635 | T632-D634 PolarHBondContact O-N 2.94Å; T632-D634 VanDerWaalsContact O-N 3.14Å; T632-D634 PolarHBondContact OG1-N 3.02Å; T632-D634 PolarHBondContact OG1-OD2 3.25Å; T632-S635 PolarHBondContact N-OG 3.27Å; T632-S635 VanDerWaalsContact O-CB 3.24Å; T632-S635 WeakPolarHBondContact O-CB 3.23Å; T632-S635 PolarHBondContact O-N 3.13Å; T632-S635 PolarHBondContact O-OG 3.31Å | ||
| 633 | V | 79.4 | Confident | 86.5 | Confident | 128 Ų | 128 | 79.4 Ų | 79.4 | 78% | 0.776 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -53.9 | -32.2 | 173.9 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | S635 Y636 | V633-S635 PolarHBondContact O-N 2.97Å; V633-Y636 PolarHBondContact O-N 3.08Å |
| 634 | D | 83.6 | Confident | 86.2 | Confident | 150 Ų | 150 | 85.7 Ų | 85.7 | 80% | 0.802 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -69.4 | -12.5 | 178.1 | -49 | -54.8 | 0 | 0 | 0 | 114 | T632 | T632-D634 PolarHBondContact O-N 2.94Å; T632-D634 VanDerWaalsContact O-N 3.14Å; T632-D634 PolarHBondContact OG1-N 3.02Å; T632-D634 PolarHBondContact OG1-OD2 3.25Å |
| 635 | S | 87.6 | Confident | 86.1 | Confident | 40 Ų | 40 | 84.5 Ų | 84.5 | 28% | 0.28 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -78.7 | -11.4 | 176.6 | -53.5 | 0 | 0 | 0 | 0 | 112.8 | T632 V633 | T632-S635 PolarHBondContact N-OG 3.27Å; T632-S635 VanDerWaalsContact O-CB 3.24Å; T632-S635 WeakPolarHBondContact O-CB 3.23Å; T632-S635 PolarHBondContact O-N 3.13Å; T632-S635 PolarHBondContact O-OG 3.31Å; V633-S635 PolarHBondContact O-N 2.97Å |
| 636 | Y | 89.2 | Confident | 86.1 | Confident | 33 Ų | 33 | 83.1 Ų | 83.1 | 13% | 0.129 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -113.9 | 149.8 | -179 | -60.6 | -88.3 | 0 | 0 | 0 | 109.7 | T578 C581 W620 N631 V633 | T578-Y636 HydrophobicContact CG2-CD1 4.36Å; T578-Y636 HydrophobicContact CG2-CD2 3.87Å; T578-Y636 HydrophobicContact CG2-CE1 4.36Å; T578-Y636 HydrophobicContact CG2-CE2 3.86Å; T578-Y636 HydrophobicContact CG2-CG 4.13Å; C581-Y636 HydrophobicContact CB-CD1 4.12Å; C581-Y636 HydrophobicContact CB-CE1 3.9Å; W620-Y636 HydrophobicContact CB-CD1 3.96Å; W620-Y636 HydrophobicContact CB-CE1 4.29Å; N631-Y636 HydrophobicContact CB-CE2 4.39Å; V633-Y636 PolarHBondContact O-N 3.08Å |
| 637 | P | 88.3 | Confident | 86.2 | Confident | 30 Ų | 30 | 83.9 Ų | 83.9 | 20% | 0.195 | 44% | 0.44 | C | S | . | . | trans | -63.7 | 158.1 | 172.6 | 28.1 | -33.8 | 0 | 0 | 0 | 110.2 | L577 W620 F640 | L577-P637 HydrophobicContact CD2-CG 4.19Å; L577-P637 WeakPolarHBondContact CD2-O 3.41Å; W620-P637 HydrophobicContact CD2-CG 4.1Å; W620-P637 HydrophobicContact CG-CG 4.45Å; W620-P637 HydrophobicContact CZ2-CB 4.43Å; W620-P637 HydrophobicContact CZ2-CG 3.91Å; P637-F640 HydrophobicContact CB-CB 4.32Å; P637-F640 HydrophobicContact CG-CB 3.85Å | ||
| 638 | T | 78.8 | Confident | 86.2 | Confident | 144 Ų | 144 | 83.1 Ų | 83.1 | 88% | 0.883 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -68.6 | -42.3 | 175.9 | 46.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 639 | E | 75.1 | Confident | 86.3 | Confident | 170 Ų | 170 | 81.9 Ų | 81.9 | 79% | 0.794 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -148.5 | 150.6 | 172.4 | -69.4 | -177.1 | 170.4 | 0 | 0 | 107.3 | ||
| 640 | F | 76.2 | Confident | 86.5 | Confident | 56 Ų | 56 | 76.1 Ų | 76.1 | 25% | 0.246 | 42% | 0.42 | C | S | . | . | trans | -150.5 | 127.6 | 177.6 | 175.4 | -109.7 | 0 | 0 | 0 | 110.5 | W620 L621 P637 I642 L646 | W620-F640 HydrophobicContact CZ2-CD2 4.33Å; W620-F640 HydrophobicContact CZ2-CG 4.49Å; L621-F640 HydrophobicContact CD1-CE1 4.35Å; P637-F640 HydrophobicContact CB-CB 4.32Å; P637-F640 HydrophobicContact CG-CB 3.85Å; F640-I642 HydrophobicContact CD1-CG1 3.79Å; F640-I642 HydrophobicContact CE1-CB 4.05Å; F640-I642 HydrophobicContact CE1-CG1 3.72Å; F640-I642 HydrophobicContact CE1-CG2 4.29Å; F640-L646 HydrophobicContact CE1-CD1 3.82Å; F640-L646 HydrophobicContact CZ-CD1 3.42Å; F640-L646 VanDerWaalsContact CZ-CD1 3.42Å | ||
| 641 | E | 77.3 | Confident | 86.7 | Confident | 168 Ų | 168 | 76.9 Ų | 76.9 | 79% | 0.785 | 42% | 0.419 | S | S | * | . | trans | -85.6 | 126.3 | 166.2 | -72.4 | -175.5 | 165.2 | 0 | 0 | 109 | N643 | E641-N643 PolarHBondContact O-N 3.24Š| ||
| 642 | I | 82.1 | Confident | 87 | Confident | 43 Ų | 43 | 79.2 Ų | 79.2 | 22% | 0.221 | 43% | 0.427 | C | S | . | . | trans | -83.9 | 109.4 | -177.1 | -50 | -175.6 | 0 | 0 | 0 | 109 | H584 F640 L646 L647 | H584-I642 WeakPolarHBondContact NE2-CD1 3.49Å; F640-I642 HydrophobicContact CD1-CG1 3.79Å; F640-I642 HydrophobicContact CE1-CB 4.05Å; F640-I642 HydrophobicContact CE1-CG1 3.72Å; F640-I642 HydrophobicContact CE1-CG2 4.29Å; I642-L646 HydrophobicContact CG2-CB 4.07Å; I642-L647 HydrophobicContact CG2-CD2 3.58Å; I642-L647 HydrophobicContact CG2-CG 4.03Å | ||
| 643 | N | 86.4 | Confident | 87.4 | Confident | 86 Ų | 86 | 75.4 Ų | 75.4 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | trans | -65.9 | 148.6 | 172.3 | -67.5 | -22.7 | 0 | 0 | 0 | 111.4 | E641 D645 L646 | E641-N643 PolarHBondContact O-N 3.24Å; N643-D645 WeakPolarHBondContact CB-OD1 3.41Å; N643-D645 PolarHBondContact O-N 3.16Å; N643-D645 VanDerWaalsContact O-N 3.1Å; N643-L646 WeakPolarHBondContact O-CB 3.3Å; N643-L646 PolarHBondContact O-N 3.4Å | ||
| 644 | D | 88.8 | Confident | 88.1 | Confident | 142 Ų | 142 | 71.2 Ų | 71.2 | 76% | 0.759 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -57.7 | -26.4 | 178.5 | -66.5 | -23.3 | 0 | 0 | 0 | 113.5 | L646 L647 | D644-L646 PolarHBondContact O-N 2.66Å; D644-L647 PolarHBondContact O-N 2.99Å; D644-L647 VanDerWaalsContact O-N 3.15Å |
| 645 | D | 92 | Very high | 88.6 | Confident | 63 Ų | 63 | 69.9 Ų | 69.9 | 34% | 0.337 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -70.1 | -12.9 | 177.8 | 70.9 | -28.4 | 0 | 0 | 0 | 113.7 | R613 N643 | R613-D645 IonicContact CZ-OD2 3.83Å; R613-D645 IonicContact NE-OD2 3.14Å; R613-D645 PolarHBondContact NE-OD2 2.8Å; R613-D645 IonicContact NH2-OD2 2.75Å; R613-D645 PolarHBondContact NH2-OD2 3.33Å; N643-D645 WeakPolarHBondContact CB-OD1 3.41Å; N643-D645 PolarHBondContact O-N 3.16Å; N643-D645 VanDerWaalsContact O-N 3.1Å |
| 646 | L | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -97.5 | -5.1 | 174.5 | -61 | 174.4 | 0 | 0 | 0 | 113 | V610 R613 R614 I617 A618 L621 F640 I642 N643 D644 | V610-L646 WeakPolarHBondContact CG1-O 3.47Å; R613-L646 HydrophobicContact CB-CD2 4.25Å; R613-L646 HydrophobicContact CG-CD2 3.78Å; R614-L646 HydrophobicContact CB-CD2 4.41Å; R614-L646 HydrophobicContact CG-CB 4.46Å; R614-L646 HydrophobicContact CG-CD2 3.74Å; R614-L646 VanDerWaalsContact CZ-O 3.28Å; R614-L646 PolarHBondContact NE-O 3.21Å; R614-L646 PolarHBondContact NH2-O 2.97Å; I617-L646 HydrophobicContact CD1-CD1 4.24Å; I617-L646 HydrophobicContact CD1-CD2 3.94Å; I617-L646 HydrophobicContact CD1-CG 4.3Å; I617-L646 HydrophobicContact CG1-CD2 3.93Å; A618-L646 HydrophobicContact CB-CD1 3.91Å; A618-L646 HydrophobicContact CB-CD2 4.33Å; L621-L646 HydrophobicContact CD1-CB 4.47Å; L621-L646 HydrophobicContact CD1-CD1 4.17Å; F640-L646 HydrophobicContact CE1-CD1 3.82Å; F640-L646 HydrophobicContact CZ-CD1 3.42Å; F640-L646 VanDerWaalsContact CZ-CD1 3.42Å; I642-L646 HydrophobicContact CG2-CB 4.07Å; N643-L646 WeakPolarHBondContact O-CB 3.3Å; N643-L646 PolarHBondContact O-N 3.4Å; D644-L646 PolarHBondContact O-N 2.66Å |
| 647 | L | 94.8 | Very high | 89 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 10% | 0.099 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -98.3 | 150.2 | -177 | -60.6 | -180 | 0 | 0 | 0 | 111.7 | Q565 I569 I642 D644 | Q565-L647 HydrophobicContact CG-CD2 3.89Å; I569-L647 HydrophobicContact CD1-CD1 3.46Å; I569-L647 VanDerWaalsContact CD1-CD1 3.46Å; I569-L647 HydrophobicContact CD1-CD2 3.92Å; I569-L647 HydrophobicContact CD1-CG 4.35Å; I569-L647 HydrophobicContact CG1-CD1 4.49Å; I642-L647 HydrophobicContact CG2-CD2 3.58Å; I642-L647 HydrophobicContact CG2-CG 4.03Å; D644-L647 PolarHBondContact O-N 2.99Å; D644-L647 VanDerWaalsContact O-N 3.15Å |
| 648 | F | 95.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.009 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 124.2 | 169.3 | -57.9 | -63.2 | 0 | 0 | 0 | 109.2 | I561 Q565 L587 A588 I591 I607 V610 S650 I653 | I561-F648 HydrophobicContact CG2-CD2 4.45Å; Q565-F648 PolarHBondContact NE2-O 3.34Å; L587-F648 HydrophobicContact CB-CE2 4.45Å; A588-F648 HydrophobicContact CB-CE2 4.35Å; A588-F648 HydrophobicContact CB-CZ 3.93Å; I591-F648 HydrophobicContact CD1-CB 4.04Å; I591-F648 HydrophobicContact CD1-CD1 3.94Å; I591-F648 HydrophobicContact CD1-CD2 4.15Å; I591-F648 HydrophobicContact CD1-CE1 4.48Å; I591-F648 HydrophobicContact CD1-CG 3.77Å; I591-F648 HydrophobicContact CG2-CD1 4.31Å; I591-F648 HydrophobicContact CG2-CD2 4.41Å; I591-F648 HydrophobicContact CG2-CE1 3.81Å; I591-F648 HydrophobicContact CG2-CE2 3.9Å; I591-F648 HydrophobicContact CG2-CZ 3.58Å; I607-F648 HydrophobicContact CG1-CD1 4.26Å; I607-F648 HydrophobicContact CG1-CE1 4.39Å; I607-F648 HydrophobicContact CG2-CE1 4.1Å; V610-F648 HydrophobicContact CB-CD1 4.23Å; V610-F648 HydrophobicContact CB-CE1 4.02Å; V610-F648 HydrophobicContact CG1-CD1 4.04Å; V610-F648 HydrophobicContact CG1-CE1 3.76Å; V610-F648 HydrophobicContact CG1-CZ 4.36Å; V610-F648 HydrophobicContact CG2-CD1 4.42Å; F648-S650 PolarHBondContact O-N 2.84Å; F648-I653 HydrophobicContact CB-CD1 4.02Å |
| 649 | S | 94.2 | Very high | 89.8 | Confident | 35 Ų | 35 | 67.6 Ų | 67.6 | 25% | 0.245 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 120 | -175 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | H606 D651 K652 I653 | H606-S649 PolarHBondContact NE2-N 3.04Å; S649-D651 VanDerWaalsContact C-N 3.26Å; S649-D651 PolarHBondContact O-N 3.31Å; S649-D651 PolarHBondContact OG-N 2.86Å; S649-K652 PolarHBondContact O-N 2.82Å; S649-K652 PolarHBondContact OG-N 2.89Å; S649-I653 WeakPolarHBondContact O-CG1 3.3Å; S649-I653 PolarHBondContact O-N 2.86Å; S649-I653 VanDerWaalsContact O-N 3.08Å |
| 650 | S | 93.4 | Very high | 90.4 | Very high | 55 Ų | 55 | 62.9 Ų | 62.9 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.2 | -40.6 | 174.7 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | F648 I653 T654 | F648-S650 PolarHBondContact O-N 2.84Å; S650-I653 PolarHBondContact O-N 2.98Å; S650-T654 VanDerWaalsContact O-CB 3.31Å; S650-T654 WeakPolarHBondContact O-CB 3.5Å; S650-T654 PolarHBondContact O-N 3.29Å; S650-T654 PolarHBondContact O-OG1 2.85Å |
| 651 | D | 93.1 | Very high | 91 | Very high | 126 Ų | 126 | 62.9 Ų | 62.9 | 67% | 0.674 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.8 | -47.2 | -179.4 | -60.9 | -28.6 | 0 | 0 | 0 | 111.6 | S649 I653 T654 E655 | S649-D651 VanDerWaalsContact C-N 3.26Å; S649-D651 PolarHBondContact O-N 3.31Å; S649-D651 PolarHBondContact OG-N 2.86Å; D651-I653 PolarHBondContact O-N 3.2Å; D651-T654 PolarHBondContact O-N 3.33Å; D651-E655 VanDerWaalsContact O-CB 3.27Å; D651-E655 WeakPolarHBondContact O-CB 3.44Å; D651-E655 PolarHBondContact O-N 2.93Å |
| 652 | K | 93.4 | Very high | 91.7 | Very high | 94 Ų | 94 | 57 Ų | 57 | 41% | 0.409 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.1 | -35.9 | 179.1 | -70.4 | -178.1 | 176.2 | -175.4 | 0 | 113 | L603 H606 S649 S656 | L603-K652 HydrophobicContact CD1-CB 4.49Å; H606-K652 HydrophobicContact CB-CD 3.9Å; H606-K652 WeakPolarHBondContact ND1-CD 3.42Å; H606-K652 PolarHBondContact ND1-NZ 3.21Å; S649-K652 PolarHBondContact O-N 2.82Å; S649-K652 PolarHBondContact OG-N 2.89Å; K652-S656 VanDerWaalsContact O-CB 3.31Å; K652-S656 WeakPolarHBondContact O-CB 3.48Å; K652-S656 PolarHBondContact O-N 3.39Å; K652-S656 PolarHBondContact O-OG 2.89Å |
| 653 | I | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.7 | -50 | 174.2 | -70.4 | 164.1 | 0 | 0 | 0 | 109.4 | F558 L562 I591 L603 F648 S649 S650 D651 S656 L657 | F558-I653 HydrophobicContact CB-CG2 4.29Å; F558-I653 HydrophobicContact CD1-CG2 3.78Å; F558-I653 HydrophobicContact CE1-CG2 4.39Å; F558-I653 HydrophobicContact CG-CG2 4.17Å; L562-I653 HydrophobicContact CD2-CD1 3.8Å; L562-I653 HydrophobicContact CG-CD1 4.38Å; I591-I653 HydrophobicContact CD1-CD1 3.92Å; I591-I653 HydrophobicContact CD1-CG1 4.47Å; L603-I653 HydrophobicContact CD1-CG1 3.83Å; L603-I653 HydrophobicContact CD2-CG1 4.11Å; F648-I653 HydrophobicContact CB-CD1 4.02Å; S649-I653 WeakPolarHBondContact O-CG1 3.3Å; S649-I653 PolarHBondContact O-N 2.86Å; S649-I653 VanDerWaalsContact O-N 3.08Å; S650-I653 PolarHBondContact O-N 2.98Å; D651-I653 PolarHBondContact O-N 3.2Å; I653-S656 PolarHBondContact O-N 3.34Å; I653-L657 HydrophobicContact CG2-CD1 3.74Å; I653-L657 HydrophobicContact CG2-CG 4.5Å; I653-L657 WeakPolarHBondContact O-CB 3.29Å; I653-L657 WeakPolarHBondContact O-CG 3.33Å; I653-L657 PolarHBondContact O-N 3.48Å |
| 654 | T | 93.8 | Very high | 92.2 | Very high | 40 Ų | 40 | 56.2 Ų | 56.2 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 179.4 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | S650 D651 S656 L657 V658 T664 | S650-T654 VanDerWaalsContact O-CB 3.31Å; S650-T654 WeakPolarHBondContact O-CB 3.5Å; S650-T654 PolarHBondContact O-N 3.29Å; S650-T654 PolarHBondContact O-OG1 2.85Å; D651-T654 PolarHBondContact O-N 3.33Å; T654-S656 PolarHBondContact O-N 2.92Å; T654-L657 PolarHBondContact O-N 3.45Å; T654-V658 HydrophobicContact CG2-CG2 4.29Å; T654-V658 WeakPolarHBondContact O-CB 3.24Å; T654-V658 VanDerWaalsContact O-CG2 3.26Å; T654-V658 WeakPolarHBondContact O-CG2 3.43Å; T654-V658 PolarHBondContact O-N 3.36Å; T654-T664 HydrophobicContact CG2-CG2 4.32Å |
| 655 | E | 93.2 | Very high | 92.2 | Very high | 121 Ų | 121 | 52.5 Ų | 52.5 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.2 | -46.8 | 178 | -177.1 | -178.1 | -175.5 | 0 | 0 | 111.7 | D651 L657 V658 N659 | D651-E655 VanDerWaalsContact O-CB 3.27Å; D651-E655 WeakPolarHBondContact O-CB 3.44Å; D651-E655 PolarHBondContact O-N 2.93Å; E655-L657 PolarHBondContact O-N 3.46Å; E655-V658 PolarHBondContact O-N 2.6Å; E655-N659 VanDerWaalsContact O-CB 3.31Å; E655-N659 WeakPolarHBondContact O-CB 3.19Å; E655-N659 PolarHBondContact O-N 2.91Å; E655-N659 PolarHBondContact O-ND2 3.18Å |
| 656 | S | 93.5 | Very high | 92 | Very high | 7 Ų | 7 | 50 Ų | 50 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.1 | -37.3 | -179.5 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | S602 K652 I653 T654 T660 | S602-S656 PolarHBondContact OG-OG 3.26Å; K652-S656 VanDerWaalsContact O-CB 3.31Å; K652-S656 WeakPolarHBondContact O-CB 3.48Å; K652-S656 PolarHBondContact O-N 3.39Å; K652-S656 PolarHBondContact O-OG 2.89Å; I653-S656 PolarHBondContact O-N 3.34Å; T654-S656 PolarHBondContact O-N 2.92Å; S656-T660 PolarHBondContact O-N 2.61Å; S656-T660 PolarHBondContact O-OG1 3.23Å |
| 657 | L | 92.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71 | -44.2 | 176.9 | -73.9 | 171.7 | 0 | 0 | 0 | 111.9 | F558 I598 L600 I653 T654 E655 N659 T660 G661 Y662 T664 L667 | F558-L657 HydrophobicContact CB-CD1 4.2Å; F558-L657 HydrophobicContact CD2-CD1 3.89Å; F558-L657 HydrophobicContact CD2-CD2 4.08Å; F558-L657 HydrophobicContact CE2-CD1 4.46Å; F558-L657 HydrophobicContact CE2-CD2 3.97Å; F558-L657 HydrophobicContact CG-CD1 4.03Å; I598-L657 HydrophobicContact CD1-CD2 4.08Å; L600-L657 HydrophobicContact CD1-CD2 3.93Å; L600-L657 HydrophobicContact CD1-CG 4.5Å; I653-L657 HydrophobicContact CG2-CD1 3.74Å; I653-L657 HydrophobicContact CG2-CG 4.5Å; I653-L657 WeakPolarHBondContact O-CB 3.29Å; I653-L657 WeakPolarHBondContact O-CG 3.33Å; I653-L657 PolarHBondContact O-N 3.48Å; T654-L657 PolarHBondContact O-N 3.45Å; E655-L657 PolarHBondContact O-N 3.46Å; L657-N659 VanDerWaalsContact C-N 3.32Å; L657-N659 PolarHBondContact O-N 3.12Å; L657-T660 CarbonylContact O-C 3.38Å; L657-T660 PolarHBondContact O-N 3.28Å; L657-T660 VanDerWaalsContact O-N 3.1Å; L657-T660 PolarHBondContact O-OG1 3.07Å; L657-G661 PolarHBondContact O-N 3.05Å; L657-Y662 HydrophobicContact CD2-CD1 4.2Å; L657-Y662 HydrophobicContact CD2-CD2 4.11Å; L657-Y662 HydrophobicContact CD2-CG 3.9Å; L657-Y662 PolarHBondContact O-N 3.05Å; L657-T664 HydrophobicContact CB-CG2 3.61Å; L657-T664 HydrophobicContact CD1-CG2 4.45Å; L657-L667 HydrophobicContact CD1-CD1 3.81Å; L657-L667 HydrophobicContact CD1-CD2 4.45Å |
| 658 | V | 92.4 | Very high | 91.3 | Very high | 76 Ų | 76 | 54.7 Ų | 54.7 | 46% | 0.461 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 174.9 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | T654 E655 T660 G661 T664 | T654-V658 HydrophobicContact CG2-CG2 4.29Å; T654-V658 WeakPolarHBondContact O-CB 3.24Å; T654-V658 VanDerWaalsContact O-CG2 3.26Å; T654-V658 WeakPolarHBondContact O-CG2 3.43Å; T654-V658 PolarHBondContact O-N 3.36Å; E655-V658 PolarHBondContact O-N 2.6Å; V658-T660 PolarHBondContact O-N 3.27Å; V658-T660 VanDerWaalsContact O-N 3.14Å; V658-G661 PolarHBondContact O-N 3Å; V658-T664 HydrophobicContact CG2-CG2 3.71Å; V658-T664 VanDerWaalsContact CG2-OG1 3.28Å; V658-T664 WeakPolarHBondContact CG2-OG1 3.28Å |
| 659 | N | 90.6 | Very high | 90.9 | Very high | 116 Ų | 116 | 58.1 Ų | 58.1 | 62% | 0.62 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.1 | -20 | 178.8 | -73.5 | -20.4 | 0 | 0 | 0 | 113.6 | E655 L657 | E655-N659 VanDerWaalsContact O-CB 3.31Å; E655-N659 WeakPolarHBondContact O-CB 3.19Å; E655-N659 PolarHBondContact O-N 2.91Å; E655-N659 PolarHBondContact O-ND2 3.18Å; L657-N659 VanDerWaalsContact C-N 3.32Å; L657-N659 PolarHBondContact O-N 3.12Å |
| 660 | T | 88.6 | Confident | 90.3 | Very high | 71 Ų | 71 | 60.8 Ų | 60.8 | 44% | 0.436 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 6.4 | 176.9 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | L600 S656 L657 V658 Y662 | L600-T660 HydrophobicContact CD2-CG2 3.3Å; L600-T660 WeakPolarHBondContact CD2-OG1 3.34Å; S656-T660 PolarHBondContact O-N 2.61Å; S656-T660 PolarHBondContact O-OG1 3.23Å; L657-T660 CarbonylContact O-C 3.38Å; L657-T660 PolarHBondContact O-N 3.28Å; L657-T660 VanDerWaalsContact O-N 3.1Å; L657-T660 PolarHBondContact O-OG1 3.07Å; V658-T660 PolarHBondContact O-N 3.27Å; V658-T660 VanDerWaalsContact O-N 3.14Å; T660-Y662 WeakPolarHBondContact OG1-CD2 3.34Å |
| 661 | G | 88.9 | Confident | 89.8 | Confident | 56 Ų | 56 | 59 Ų | 59 | 58% | 0.577 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 8.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L657 V658 | L657-G661 PolarHBondContact O-N 3.05Å; V658-G661 PolarHBondContact O-N 3Å |
| 662 | Y | 90.6 | Very high | 88.4 | Confident | 44 Ų | 44 | 57.2 Ų | 57.2 | 17% | 0.173 | 34% | 0.337 | C | S | . | . | trans | -72.4 | 138.9 | 175.1 | -73.5 | -108.6 | 0 | 0 | 0 | 110.4 | E551 I554 I598 L657 T660 T664 | E551-Y662 HydrophobicContact CB-CD1 4.28Å; E551-Y662 HydrophobicContact CB-CE1 4.13Å; E551-Y662 HydrophobicContact CG-CD1 3.32Å; E551-Y662 HydrophobicContact CG-CE1 3.53Å; E551-Y662 HydrophobicContact CG-CG 3.88Å; E551-Y662 WeakPolarHBondContact OE1-CA 3.49Å; I554-Y662 HydrophobicContact CB-CE1 4.11Å; I554-Y662 HydrophobicContact CG2-CE1 4.08Å; I598-Y662 HydrophobicContact CD1-CE2 4.46Å; I598-Y662 VanDerWaalsContact CG2-OH 3.3Å; I598-Y662 WeakPolarHBondContact CG2-OH 3.49Å; L657-Y662 HydrophobicContact CD2-CD1 4.2Å; L657-Y662 HydrophobicContact CD2-CD2 4.11Å; L657-Y662 HydrophobicContact CD2-CG 3.9Å; L657-Y662 PolarHBondContact O-N 3.05Å; T660-Y662 WeakPolarHBondContact OG1-CD2 3.34Å; Y662-T664 PolarHBondContact O-N 2.95Å | ||
| 663 | D | 89.4 | Confident | 86.6 | Confident | 87 Ų | 87 | 55.7 Ų | 55.7 | 47% | 0.465 | 34% | 0.336 | S | S | . | . | trans | -68.2 | 122.6 | 166.9 | -176.6 | 7.8 | 0 | 0 | 0 | 110 | T555 A665 | T555-D663 WeakPolarHBondContact CG2-O 3.35Å; T555-D663 PolarHBondContact OG1-O 3.43Å; D663-A665 VanDerWaalsContact OD1-CB 3.27Å; D663-A665 WeakPolarHBondContact OD1-CB 3.41Å; D663-A665 PolarHBondContact OD1-N 3.3Å | ||
| 664 | T | 89.7 | Confident | 84.7 | Confident | 27 Ų | 27 | 57.9 Ų | 57.9 | 17% | 0.166 | 35% | 0.348 | C | S | . | . | trans | -110.5 | 4.7 | -178.3 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | T654 L657 V658 Y662 V666 L667 | T654-T664 HydrophobicContact CG2-CG2 4.32Å; L657-T664 HydrophobicContact CB-CG2 3.61Å; L657-T664 HydrophobicContact CD1-CG2 4.45Å; V658-T664 HydrophobicContact CG2-CG2 3.71Å; V658-T664 VanDerWaalsContact CG2-OG1 3.28Å; V658-T664 WeakPolarHBondContact CG2-OG1 3.28Å; Y662-T664 PolarHBondContact O-N 2.95Å; T664-V666 PolarHBondContact O-N 2.8Å; T664-V666 VanDerWaalsContact O-N 3.09Å; T664-L667 HydrophobicContact CG2-CD1 3.67Å; T664-L667 HydrophobicContact CG2-CG 4.46Å; T664-L667 WeakPolarHBondContact O-CB 3.37Å; T664-L667 PolarHBondContact O-N 3.18Å | ||
| 665 | A | 89.5 | Confident | 82.7 | Confident | 63 Ų | 63 | 56.3 Ų | 56.3 | 52% | 0.521 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -33.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D663 | D663-A665 VanDerWaalsContact OD1-CB 3.27Å; D663-A665 WeakPolarHBondContact OD1-CB 3.41Å; D663-A665 PolarHBondContact OD1-N 3.3Å |
| 666 | V | 87.4 | Confident | 80.3 | Confident | 12 Ų | 12 | 56 Ų | 56 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -19.2 | -178.7 | -62.2 | 0 | 0 | 0 | 0 | 114.4 | T555 E556 R559 T664 S668 I669 | T555-V666 HydrophobicContact CG2-CG2 3.58Å; E556-V666 WeakPolarHBondContact OE1-CG2 3.29Å; R559-V666 WeakPolarHBondContact CD-O 3.46Å; R559-V666 PolarHBondContact NE-O 3.35Å; R559-V666 VanDerWaalsContact NE-O 3.13Å; T664-V666 PolarHBondContact O-N 2.8Å; T664-V666 VanDerWaalsContact O-N 3.09Å; V666-S668 PolarHBondContact O-N 2.97Å; V666-S668 VanDerWaalsContact O-N 3.09Å; V666-I669 HydrophobicContact CG1-CD1 4.42Å; V666-I669 PolarHBondContact O-N 2.87Å |
| 667 | L | 89.1 | Confident | 77.7 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 6% | 0.058 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.7 | -172.1 | -71.4 | -178.4 | 0 | 0 | 0 | 113.3 | T555 F558 R559 L657 T664 | T555-L667 HydrophobicContact CG2-CD2 3.71Å; T555-L667 HydrophobicContact CG2-CG 4Å; T555-L667 WeakPolarHBondContact O-CD2 3.2Å; F558-L667 HydrophobicContact CB-CD2 3.93Å; R559-L667 HydrophobicContact CB-CD2 4.03Å; L657-L667 HydrophobicContact CD1-CD1 3.81Å; L657-L667 HydrophobicContact CD1-CD2 4.45Å; T664-L667 HydrophobicContact CG2-CD1 3.67Å; T664-L667 HydrophobicContact CG2-CG 4.46Å; T664-L667 WeakPolarHBondContact O-CB 3.37Å; T664-L667 PolarHBondContact O-N 3.18Å |
| 668 | S | 85.3 | Confident | 75 | Confident | 106 Ų | 106 | 67.4 Ų | 67.4 | 74% | 0.741 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -7.3 | -178.5 | 62.8 | 0 | 0 | 0 | 0 | 114 | V666 | V666-S668 PolarHBondContact O-N 2.97Å; V666-S668 VanDerWaalsContact O-N 3.09Å |
| 669 | I | 86.5 | Confident | 72.6 | Confident | 74 Ų | 74 | 65.3 Ų | 65.3 | 38% | 0.379 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -82.7 | 125.1 | -176.9 | -54 | 179.7 | 0 | 0 | 0 | 108 | R559 V666 | R559-I669 PolarHBondContact NE-O 3.44Å; R559-I669 VanDerWaalsContact NH2-CG2 3.31Å; R559-I669 PolarHBondContact NH2-O 2.89Å; V666-I669 HydrophobicContact CG1-CD1 4.42Å; V666-I669 PolarHBondContact O-N 2.87Å |
| 670 | P | 81.4 | Confident | 70 | Confident | 91 Ų | 91 | 63.8 Ų | 63.8 | 59% | 0.591 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 154.2 | 175.6 | 27.1 | -33.4 | 0 | 0 | 0 | 111.4 | R559 | R559-P670 PolarHBondContact NH2-O 3.47Å; R559-P670 VanDerWaalsContact NH2-O 3.09Å |
| 671 | Y | 81.9 | Confident | 67.5 | Low | 18 Ų | 18 | 64.6 Ų | 64.6 | 7% | 0.071 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 130.4 | 168.1 | -68.8 | -74.3 | 0 | 0 | 0 | 109.2 | I517 E518 Y521 E556 R559 L560 A563 | I517-Y671 HydrophobicContact CG2-CE1 3.54Å; I517-Y671 WeakPolarHBondContact CG2-OH 3.26Å; E518-Y671 HydrophobicContact CG-CD1 3.9Å; Y521-Y671 HydrophobicContact CD1-CD2 4.16Å; Y521-Y671 HydrophobicContact CD1-CG 4.17Å; Y521-Y671 AromaticContact CD2-CD2 3.65Å; Y521-Y671 HydrophobicContact CD2-CD2 3.65Å; Y521-Y671 HydrophobicContact CD2-CE2 4.13Å; Y521-Y671 HydrophobicContact CD2-CG 4.44Å; Y521-Y671 HydrophobicContact CE1-CD2 4.42Å; Y521-Y671 AromaticContact CE2-CD2 3.94Å; Y521-Y671 HydrophobicContact CE2-CD2 3.94Å; Y521-Y671 AromaticContact CG-CD2 3.77Å; Y521-Y671 HydrophobicContact CG-CD2 3.77Å; Y521-Y671 HydrophobicContact CG-CE2 4.4Å; Y521-Y671 HydrophobicContact CG-CG 4.13Å; E556-Y671 PolarHBondContact O-OH 3.04Å; E556-Y671 PolarHBondContact OE2-OH 3.17Å; R559-Y671 HydrophobicContact CG-CE2 4.24Å; L560-Y671 HydrophobicContact CD1-CE2 4.37Å; L560-Y671 PolarHBondContact N-OH 3.18Å; A563-Y671 HydrophobicContact CB-CD2 3.6Å; A563-Y671 HydrophobicContact CB-CE2 3.58Å |
| 672 | N | 65.5 | Low | 65.1 | Low | 88 Ų | 88 | 70.9 Ų | 70.9 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 139.8 | 173.4 | -81.4 | -39.5 | 0 | 0 | 0 | 109.1 | I674 | N672-I674 HydrophobicContact CB-CG1 4.16Å; N672-I674 PolarHBondContact O-N 2.94Å |
| 673 | P | 54.8 | Low | 62.4 | Low | 62 Ų | 62 | 71.3 Ų | 71.3 | 40% | 0.403 | 40% | 0.403 | S | S | . | . | trans | -74.8 | 65.7 | 174.3 | 31.8 | -34.6 | 0 | 0 | 0 | 110.2 | Y675 L676 | P673-Y675 PolarHBondContact O-N 2.72Å; P673-L676 HydrophobicContact CB-CB 4.29Å; P673-L676 HydrophobicContact CB-CD1 3.93Å; P673-L676 PolarHBondContact O-N 3.46Å | ||
| 674 | I | 54.3 | Low | 59.9 | Low | 46 Ų | 46 | 72.5 Ų | 72.5 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66 | -32.6 | 171.1 | -62.5 | 176.4 | 0 | 0 | 0 | 108.9 | N672 L676 R677 L764 | N672-I674 HydrophobicContact CB-CG1 4.16Å; N672-I674 PolarHBondContact O-N 2.94Å; I674-L676 VanDerWaalsContact C-N 3.29Å; I674-L676 PolarHBondContact O-N 2.95Å; I674-R677 PolarHBondContact O-N 3.4Å; I674-L764 HydrophobicContact CD1-CD1 3.9Å |
| 675 | Y | 51.2 | Low | 57.5 | Low | 7 Ų | 7 | 73.7 Ų | 73.7 | 3% | 0.027 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60 | -35.6 | 176.8 | -77.2 | -99.3 | 0 | 0 | 0 | 112.2 | R450 L515 E518 N519 H522 P673 R677 Y679 | R450-Y675 HydrophobicContact CG-CD1 4.23Å; R450-Y675 HydrophobicContact CG-CE1 3.6Å; L515-Y675 WeakPolarHBondContact CA-OH 3.33Å; L515-Y675 PolarHBondContact O-OH 2.88Å; E518-Y675 HydrophobicContact CB-CD2 3.85Å; E518-Y675 HydrophobicContact CB-CE2 3.33Å; E518-Y675 HydrophobicContact CG-CE2 4.37Å; E518-Y675 VanDerWaalsContact OE2-CE2 3.31Å; E518-Y675 WeakPolarHBondContact OE2-CE2 3.47Å; N519-Y675 HydrophobicContact CB-CE1 4.08Å; H522-Y675 AromaticContact CD2-CD2 3.43Å; H522-Y675 VanDerWaalsContact CD2-CD2 3.43Å; H522-Y675 WeakPolarHBondContact CD2-CD2 3.34Å; H522-Y675 AromaticContact CD2-CG 3.55Å; H522-Y675 AromaticContact NE2-CD2 3.69Å; H522-Y675 AromaticContact NE2-CG 3.96Å; P673-Y675 PolarHBondContact O-N 2.72Å; Y675-R677 PolarHBondContact O-N 3.33Å; Y675-Y679 WeakPolarHBondContact O-CD2 3.35Å; Y675-Y679 WeakPolarHBondContact O-CE2 3.45Å |
| 676 | L | 44 | Very low | 54.8 | Low | 115 Ų | 115 | 76 Ų | 76 | 60% | 0.602 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -77.2 | -20.1 | 179.2 | -79.6 | 154.9 | 0 | 0 | 0 | 114.5 | P673 I674 | P673-L676 HydrophobicContact CB-CB 4.29Å; P673-L676 HydrophobicContact CB-CD1 3.93Å; P673-L676 PolarHBondContact O-N 3.46Å; I674-L676 VanDerWaalsContact C-N 3.29Å; I674-L676 PolarHBondContact O-N 2.95Å |
| 677 | R | 37.3 | Very low | 52.5 | Low | 191 Ų | 191 | 79.8 Ų | 79.8 | 72% | 0.721 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -80.9 | -18 | -177.8 | -72.9 | -167.8 | -171.5 | 169 | 4.6 | 114.2 | I674 Y675 Y679 S683 | I674-R677 PolarHBondContact O-N 3.4Å; Y675-R677 PolarHBondContact O-N 3.33Å; R677-Y679 PolarHBondContact O-N 2.89Å; R677-S683 PolarHBondContact O-OG 2.99Å |
| 678 | L | 37.3 | Very low | 50.4 | Low | 54 Ų | 54 | 85.1 Ų | 85.1 | 28% | 0.283 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -12.9 | 177 | -67.3 | 164.2 | 0 | 0 | 0 | 112.8 | D685 | L678-D685 HydrophobicContact CD2-CB 4.41Š|
| 679 | Y | 42.4 | Very low | 47.9 | Very low | 33 Ų | 33 | 87.8 Ų | 87.8 | 13% | 0.129 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -2 | -179.1 | -54.7 | -69.1 | 0 | 0 | 0 | 113.6 | H406 P407 R450 I454 Y675 R677 G681 | H406-Y679 AromaticContact CE1-CD1 3.89Å; H406-Y679 AromaticContact NE2-CD1 3.74Å; P407-Y679 HydrophobicContact CG-CE1 4.13Å; R450-Y679 PolarHBondContact O-OH 3.32Å; I454-Y679 HydrophobicContact CD1-CE1 3.88Å; I454-Y679 HydrophobicContact CD1-CE2 3.55Å; I454-Y679 WeakPolarHBondContact CD1-OH 3.24Å; Y675-Y679 WeakPolarHBondContact O-CD2 3.35Å; Y675-Y679 WeakPolarHBondContact O-CE2 3.45Å; R677-Y679 PolarHBondContact O-N 2.89Å; Y679-G681 PolarHBondContact O-N 3.37Å |
| 680 | D | 35.3 | Very low | 45.3 | Very low | 84 Ų | 84 | 86.2 Ų | 86.2 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -86.7 | 104 | 163.2 | 177.7 | -1.4 | 0 | 0 | 0 | 108.3 | K682 S683 | D680-K682 PolarHBondContact O-N 3.34Å; D680-K682 VanDerWaalsContact OD1-CB 3.22Å; D680-K682 WeakPolarHBondContact OD1-CB 3.48Å; D680-K682 WeakPolarHBondContact OD1-CG 3.33Å; D680-K682 PolarHBondContact OD1-N 3.47Å; D680-S683 PolarHBondContact O-N 3.45Å; D680-S683 PolarHBondContact O-OG 2.92Å; D680-S683 VanDerWaalsContact O-OG 3.12Å |
| 681 | G | 36.4 | Very low | 42.8 | Very low | 87 Ų | 87 | 88.1 Ų | 88.1 | 90% | 0.897 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 9.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y679 | Y679-G681 PolarHBondContact O-N 3.37Š|
| 682 | K | 37.8 | Very low | 40.2 | Very low | 188 Ų | 188 | 95.1 Ų | 95.1 | 82% | 0.817 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -6.7 | 172.8 | -59.6 | 175 | -179.2 | 170.3 | 0 | 113.9 | D680 | D680-K682 PolarHBondContact O-N 3.34Å; D680-K682 VanDerWaalsContact OD1-CB 3.22Å; D680-K682 WeakPolarHBondContact OD1-CB 3.48Å; D680-K682 WeakPolarHBondContact OD1-CG 3.33Å; D680-K682 PolarHBondContact OD1-N 3.47Å |
| 683 | S | 34 | Very low | 38.5 | Very low | 53 Ų | 53 | 100.4 Ų | 100.4 | 37% | 0.371 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -97.7 | 124.9 | 176.5 | -9 | 0 | 0 | 0 | 0 | 111.1 | R677 D680 D685 | R677-S683 PolarHBondContact O-OG 2.99Å; D680-S683 PolarHBondContact O-N 3.45Å; D680-S683 PolarHBondContact O-OG 2.92Å; D680-S683 VanDerWaalsContact O-OG 3.12Å; S683-D685 PolarHBondContact O-N 3.32Å |
| 684 | P | 36.7 | Very low | 37.2 | Very low | 112 Ų | 112 | 102.5 Ų | 102.5 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 132 | 166.2 | 25.8 | -28.8 | 0 | 0 | 0 | 109 | P686 | P684-P686 WeakPolarHBondContact O-CD 3.41Š|
| 685 | D | 40.1 | Very low | 35.9 | Very low | 53 Ų | 53 | 111 Ų | 111 | 28% | 0.283 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 119.2 | 173.6 | -172.4 | -13.4 | 0 | 0 | 0 | 108.9 | L678 S683 L687 I688 | L678-D685 HydrophobicContact CD2-CB 4.41Å; S683-D685 PolarHBondContact O-N 3.32Å; D685-L687 PolarHBondContact O-N 2.97Å; D685-L687 PolarHBondContact OD1-N 3.35Å; D685-I688 HydrophobicContact CB-CB 4.04Å; D685-I688 HydrophobicContact CB-CD1 3.48Å; D685-I688 VanDerWaalsContact CB-CD1 3.48Å; D685-I688 HydrophobicContact CB-CG1 3.59Å; D685-I688 PolarHBondContact O-N 3.39Å; D685-I688 VanDerWaalsContact O-N 3.11Å |
| 686 | P | 33 | Very low | 34.8 | Very low | 110 Ų | 110 | 116.5 Ų | 116.5 | 71% | 0.714 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -8.3 | -178.7 | -20.4 | 31.3 | 0 | 0 | 0 | 114.4 | P684 | P684-P686 WeakPolarHBondContact O-CD 3.41Š|
| 687 | L | 38.9 | Very low | 34 | Very low | 92 Ų | 92 | 114.8 Ų | 114.8 | 48% | 0.482 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109 | -0.3 | -179.3 | -61.6 | 174.6 | 0 | 0 | 0 | 114 | D685 V767 | D685-L687 PolarHBondContact O-N 2.97Å; D685-L687 PolarHBondContact OD1-N 3.35Å; L687-V767 HydrophobicContact CD2-CG1 4.27Å |
| 688 | I | 43.8 | Very low | 33.5 | Very low | 123 Ų | 123 | 109.1 Ų | 109.1 | 63% | 0.631 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -18 | -179.3 | -74 | -178.6 | 0 | 0 | 0 | 113 | D685 G690 | D685-I688 HydrophobicContact CB-CB 4.04Å; D685-I688 HydrophobicContact CB-CD1 3.48Å; D685-I688 VanDerWaalsContact CB-CD1 3.48Å; D685-I688 HydrophobicContact CB-CG1 3.59Å; D685-I688 PolarHBondContact O-N 3.39Å; D685-I688 VanDerWaalsContact O-N 3.11Å; I688-G690 VanDerWaalsContact C-N 3.27Å; I688-G690 PolarHBondContact O-N 3.29Å |
| 689 | D | 33.4 | Very low | 33 | Very low | 162 Ų | 162 | 113.3 Ų | 113.3 | 87% | 0.866 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -83.4 | 67.9 | 173.2 | -85.5 | -21.1 | 0 | 0 | 0 | 111.4 | ||
| 690 | G | 31.3 | Very low | 32.3 | Very low | 41 Ų | 41 | 120.9 Ų | 120.9 | 42% | 0.423 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -174.3 | 32.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | I688 | I688-G690 VanDerWaalsContact C-N 3.27Å; I688-G690 PolarHBondContact O-N 3.29Å |
| 691 | N | 30.1 | Very low | 31.9 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | trans | 174.1 | 120.1 | 145.2 | -94.7 | -33.3 | 0 | 0 | 0 | 110.9 | Y693 | N691-Y693 HydrophobicContact CB-CD2 4.44Å; N691-Y693 HydrophobicContact CB-CE2 4.26Å; N691-Y693 PolarHBondContact O-N 3.21Å; N691-Y693 VanDerWaalsContact O-N 3.11Å | ||
| 692 | I | 26.9 | Very low | 31.5 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 85% | 0.846 | 69% | 0.688 | S | S | * | * | trans | -69.7 | 100.8 | 168.1 | -61.5 | 168 | 0 | 0 | 0 | 107.4 | ||||
| 693 | Y | 28.8 | Very low | 31.1 | Very low | 198 Ų | 198 | 125.9 Ų | 125.9 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | trans | -91 | 127.1 | 153.4 | -76 | -78.9 | 0 | 0 | 0 | 107.9 | N691 R695 | N691-Y693 HydrophobicContact CB-CD2 4.44Å; N691-Y693 HydrophobicContact CB-CE2 4.26Å; N691-Y693 PolarHBondContact O-N 3.21Å; N691-Y693 VanDerWaalsContact O-N 3.11Å; Y693-R695 PolarHBondContact O-N 3.15Å; Y693-R695 VanDerWaalsContact O-N 3.13Å | ||
| 694 | P | 28.8 | Very low | 30.7 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 69% | 0.688 | 70% | 0.703 | S | S | * | * | trans | -66.8 | 119.5 | -177.6 | 26.5 | -30.1 | 0 | 0 | 0 | 108.9 | V696 | P694-V696 PolarHBondContact O-N 2.7Å; P694-V696 VanDerWaalsContact O-N 3.07Å | ||
| 695 | R | 27.3 | Very low | 30.4 | Very low | 224 Ų | 224 | 134.7 Ų | 134.7 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | trans | -53.7 | 113.4 | 162.2 | -146.6 | -180 | -165.2 | -178.8 | 4.6 | 106.8 | Y693 S697 | Y693-R695 PolarHBondContact O-N 3.15Å; Y693-R695 VanDerWaalsContact O-N 3.13Å; R695-S697 PolarHBondContact O-N 3.49Å | ||
| 696 | V | 26.3 | Very low | 29.7 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | trans | -70.2 | 78.7 | 164.8 | -178.7 | 0 | 0 | 0 | 0 | 106.8 | P694 | P694-V696 PolarHBondContact O-N 2.7Å; P694-V696 VanDerWaalsContact O-N 3.07Å | ||
| 697 | S | 27.8 | Very low | 29.5 | Very low | 79 Ų | 79 | 138.5 Ų | 138.5 | 55% | 0.552 | 73% | 0.733 | S | S | * | * | trans | -91.9 | 91.1 | 161.3 | -63.7 | 0 | 0 | 0 | 0 | 106.3 | R695 N699 | R695-S697 PolarHBondContact O-N 3.49Å; S697-N699 PolarHBondContact O-N 2.83Å | ||
| 698 | G | 26.2 | Very low | 28.9 | Very low | 71 Ų | 71 | 143.4 Ų | 143.4 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | trans | -68.5 | 78.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E700 | G698-E700 PolarHBondContact O-N 2.85Š| ||
| 699 | N | 27 | Very low | 28.4 | Very low | 143 Ų | 143 | 147.8 Ų | 147.8 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | -87.1 | 84 | 162.3 | -111.9 | 12.7 | 0 | 0 | 0 | 107.9 | S697 | S697-N699 PolarHBondContact O-N 2.83Š| ||
| 700 | E | 28.7 | Very low | 28.3 | Very low | 192 Ų | 192 | 143 Ų | 143 | 90% | 0.897 | 75% | 0.746 | S | S | * | * | trans | -93.7 | 86.8 | 159.3 | -72.7 | -167.5 | 163.3 | 0 | 0 | 108.7 | G698 F702 | G698-E700 PolarHBondContact O-N 2.85Å; E700-F702 PolarHBondContact O-N 3.24Å | ||
| 701 | H | 25.7 | Very low | 28.3 | Very low | 160 Ų | 160 | 147 Ų | 147 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -66.7 | 115.5 | 146.9 | -86 | -66.5 | 0 | 0 | 0 | 107.1 | ||||
| 702 | F | 29.2 | Very low | 28.4 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | trans | -168 | 116.5 | 134.4 | -96.2 | -70.3 | 0 | 0 | 0 | 111.3 | E700 | E700-F702 PolarHBondContact O-N 3.24Š| ||
| 703 | T | 29.5 | Very low | 28.8 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 70.7 | 102.4 | 147.6 | 51.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 704 | N | 25.6 | Very low | 29 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | 48.9 | 103.2 | 124.7 | -66.3 | -16.5 | 0 | 0 | 0 | 119.2 | |||||
| 705 | Q | 29.1 | Very low | 29.3 | Very low | 199 Ų | 199 | 144.8 Ų | 144.8 | 93% | 0.93 | 76% | 0.755 | S | S | * | * | -166.4 | 120.7 | 110.8 | -102.9 | 168.6 | 17.7 | 0 | 0 | 111.1 | |||||
| 706 | S | 25.3 | Very low | 29.7 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | trans | -70 | 154.6 | 176 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 707 | I | 30.4 | Very low | 30.1 | Very low | 150 Ų | 150 | 139.6 Ų | 139.6 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | 179.1 | 100.8 | 126.4 | -84.3 | 148.2 | 0 | 0 | 0 | 105.7 | |||||
| 708 | Y | 26.5 | Very low | 30.1 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | 55.2 | 122.8 | 100.3 | -86.8 | -90.2 | 0 | 0 | 0 | 113 | |||||
| 709 | Y | 33.3 | Very low | 30.5 | Very low | 215 Ų | 215 | 144.5 Ų | 144.5 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | -150.9 | 139.5 | 59.8 | -78.3 | -96.1 | 0 | 0 | 0 | 109.4 | |||||
| 710 | G | 30 | Very low | 30.8 | Very low | 62 Ų | 62 | 142 Ų | 142 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | 92.1 | 134.5 | 62.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 711 | T | 32.3 | Very low | 30.8 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | cis | 177.4 | 137.8 | 15.7 | 11.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 712 | V | 31.8 | Very low | 31.1 | Very low | 116 Ų | 116 | 138 Ų | 138 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | 84.6 | 124.7 | 113.9 | 179.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 713 | D | 34.9 | Very low | 31.1 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | -166 | 136.9 | 59.7 | -93.4 | -50.3 | 0 | 0 | 0 | 108.7 | |||||
| 714 | D | 32.3 | Very low | 31.2 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | 92.6 | 115.9 | 66.5 | -137.8 | 26.1 | 0 | 0 | 0 | 113.5 | |||||
| 715 | K | 37 | Very low | 31.4 | Very low | 175 Ų | 175 | 132 Ų | 132 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | 161.5 | 115.9 | 129.2 | -86.5 | 167.3 | -173.8 | 172.8 | 0 | 114.5 | |||||
| 716 | N | 34.9 | Very low | 31.5 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | 57.2 | 138.1 | 122.5 | -60.9 | -14.5 | 0 | 0 | 0 | 119.3 | |||||
| 717 | S | 34.1 | Very low | 31.6 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | cis | -176.6 | 141 | 9.9 | 37.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 718 | S | 29 | Very low | 31.4 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -22.3 | 155.6 | 153.5 | 53.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 719 | I | 33.6 | Very low | 31.5 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | 174.2 | 136.2 | 113.6 | -86.1 | 153.6 | 0 | 0 | 0 | 113.5 | |||||
| 720 | A | 33.8 | Very low | 31.1 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | 68.7 | 116.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 721 | N | 28.2 | Very low | 31.1 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | cis | 61.1 | 104 | 39.1 | -97.4 | 3.7 | 0 | 0 | 0 | 116.5 | ||||
| 722 | S | 33 | Very low | 30.7 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -170.9 | 96.9 | 141.9 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 723 | T | 28.7 | Very low | 30.7 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | 47.3 | 118.9 | 93.8 | 51.9 | 0 | 0 | 0 | 0 | 117 | |||||
| 724 | S | 31.3 | Very low | 30.3 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | 155.1 | 111.6 | 114.7 | -65.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 725 | G | 30.4 | Very low | 30.2 | Very low | 80 Ų | 80 | 135.5 Ų | 135.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | 106.3 | 151.1 | 101.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 726 | A | 30.7 | Very low | 29.9 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | cis | -170.4 | 150.4 | -5.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 727 | R | 27.3 | Very low | 29.3 | Very low | 236 Ų | 236 | 134.9 Ų | 134.9 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | 58.1 | 112.2 | 147.8 | -67.7 | 176 | 174.3 | -177.1 | -2.9 | 119 | ||||
| 728 | M | 25.3 | Very low | 28.9 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | 49.9 | 111 | 84.6 | -77.5 | -139.4 | 169.8 | 0 | 0 | 116.1 | |||||
| 729 | N | 29.6 | Very low | 28.6 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -170.7 | 120.3 | 132.8 | -89.8 | -19.1 | 0 | 0 | 0 | 108.8 | ||||
| 730 | S | 25 | Very low | 28.3 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | 57.5 | 124 | 111.9 | -170.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 731 | T | 29.8 | Very low | 27.8 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 76% | 0.761 | 81% | 0.814 | S | S | * | * | -171.6 | 139.3 | 71.2 | -45.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 732 | Y | 24.2 | Very low | 27.6 | Very low | 221 Ų | 221 | 149 Ų | 149 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -65.8 | 144.9 | 168.8 | -85.4 | -104.4 | 0 | 0 | 0 | 112.6 | ||||
| 733 | L | 31.9 | Very low | 27.4 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -166 | 97.5 | 152.3 | -99.4 | 135.7 | 0 | 0 | 0 | 106.4 | ||||
| 734 | D | 26 | Very low | 27.2 | Very low | 162 Ų | 162 | 151.1 Ų | 151.1 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | 78.6 | 128.7 | 84.6 | -158.1 | 18.4 | 0 | 0 | 0 | 113 | |||||
| 735 | G | 30.2 | Very low | 27.2 | Very low | 59 Ų | 59 | 151.3 Ų | 151.3 | 61% | 0.608 | 81% | 0.814 | S | S | * | * | trans | 145.3 | 75.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 736 | T | 29.8 | Very low | 27.1 | Very low | 130 Ų | 130 | 155.5 Ų | 155.5 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | trans | 54.9 | 102.2 | 135.9 | -0.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 737 | M | 22.8 | Very low | 27 | Very low | 169 Ų | 169 | 156.7 Ų | 156.7 | 83% | 0.833 | 82% | 0.815 | S | S | * | * | 40.6 | 119.5 | 90.1 | -78.7 | -77.1 | 162.9 | 0 | 0 | 115.8 | |||||
| 738 | L | 26.9 | Very low | 27 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | -175.2 | 109.1 | 124.6 | -94.8 | 172.5 | 0 | 0 | 0 | 112 | |||||
| 739 | Y | 23 | Very low | 27.1 | Very low | 221 Ų | 221 | 147.3 Ų | 147.3 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | -62.1 | 138.5 | 145.4 | -97.6 | -101.3 | 0 | 0 | 0 | 108.5 | ||||
| 740 | R | 25.5 | Very low | 26.8 | Very low | 234 Ų | 234 | 145.9 Ų | 145.9 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -154.7 | 120.5 | 152.5 | -142.7 | 179.8 | -167.7 | 166.6 | 4.2 | 114.3 | ||||
| 741 | E | 23.7 | Very low | 26.9 | Very low | 172 Ų | 172 | 147.6 Ų | 147.6 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -62.6 | 152.9 | 159.4 | -69.5 | 168.6 | 124.5 | 0 | 0 | 112.8 | ||||
| 742 | S | 24.3 | Very low | 26.6 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | 50.5 | 117.7 | 138.3 | -64.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 743 | S | 29.1 | Very low | 26.7 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -149.5 | 112.3 | 133.4 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 744 | L | 24.8 | Very low | 26.4 | Very low | 162 Ų | 162 | 143 Ų | 143 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -53.9 | 150.8 | 162.1 | -68.3 | 129 | 0 | 0 | 0 | 112 | ||||
| 745 | V | 31.2 | Very low | 26.3 | Very low | 125 Ų | 125 | 139 Ų | 139 | 76% | 0.758 | 82% | 0.816 | S | S | * | * | -162.7 | 114.1 | 120.1 | 175.3 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 746 | E | 27.1 | Very low | 26.1 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | 28.7 | 131.6 | 140.7 | -53.4 | 173.8 | 141.9 | 0 | 0 | 119.4 | ||||
| 747 | S | 30 | Very low | 26.1 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | 179.6 | 136.4 | 60.9 | -47.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 748 | G | 26.6 | Very low | 26.6 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 65.2 | 129.2 | 155 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 749 | T | 28.7 | Very low | 27.7 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | cis | -168.6 | 142.3 | 28.8 | 20.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 750 | C | 21.7 | Very low | 29.4 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 87% | 0.865 | 74% | 0.738 | S | S | * | * | trans | -53.1 | 137.9 | 175.7 | -66.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 751 | V | 28.5 | Very low | 30.7 | Very low | 137 Ų | 137 | 112.4 Ų | 112.4 | 83% | 0.83 | 71% | 0.705 | S | S | * | * | trans | -149.7 | 126.6 | 130.4 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 752 | A | 22.8 | Very low | 31.5 | Very low | 101 Ų | 101 | 107.9 Ų | 107.9 | 84% | 0.835 | 69% | 0.686 | S | S | * | * | trans | -66 | 127.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 753 | Q | 25.5 | Very low | 32.6 | Very low | 192 Ų | 192 | 103.6 Ų | 103.6 | 90% | 0.897 | 66% | 0.656 | S | S | * | * | trans | -110.3 | 125.9 | 167 | -82.4 | -173.3 | -15.8 | 0 | 0 | 110.7 | G755 | Q753-G755 PolarHBondContact O-N 3.34Š| ||
| 754 | S | 26.4 | Very low | 33.1 | Very low | 119 Ų | 119 | 100.5 Ų | 100.5 | 83% | 0.832 | 63% | 0.63 | S | S | * | * | trans | -57.6 | 116.6 | 172.1 | 164 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 755 | G | 23.3 | Very low | 33.7 | Very low | 76 Ų | 76 | 100.3 Ų | 100.3 | 78% | 0.784 | 62% | 0.619 | S | S | * | * | trans | -75.6 | 119.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q753 | Q753-G755 PolarHBondContact O-N 3.34Š| ||
| 756 | S | 26.5 | Very low | 33.8 | Very low | 106 Ų | 106 | 97 Ų | 97 | 74% | 0.741 | 60% | 0.602 | S | S | * | * | trans | -178.3 | 81.4 | 143.2 | 64.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 757 | S | 30.3 | Very low | 34.1 | Very low | 111 Ų | 111 | 92.2 Ų | 92.2 | 78% | 0.776 | 58% | 0.584 | S | S | * | * | trans | -132.9 | 86.9 | 167.6 | 60.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 758 | F | 32 | Very low | 34.1 | Very low | 143 Ų | 143 | 89.9 Ų | 89.9 | 63% | 0.627 | 57% | 0.572 | S | S | * | * | trans | -86.2 | 125.4 | 167.9 | -74.1 | -82.4 | 0 | 0 | 0 | 108.3 | Q552 D762 | Q552-F758 PolarHBondContact NE2-O 2.99Å; F758-D762 HydrophobicContact CD1-CB 4.33Å | ||
| 759 | S | 51.9 | Low | 34.2 | Very low | 21 Ų | 21 | 93.3 Ų | 93.3 | 15% | 0.147 | 57% | 0.573 | C | S | . | * | trans | -69 | 155.4 | 170.6 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | T761 D762 S763 | S759-T761 PolarHBondContact O-N 3.47Å; S759-T761 PolarHBondContact OG-N 3.45Å; S759-T761 PolarHBondContact OG-OG1 2.86Å; S759-D762 WeakPolarHBondContact CB-OD2 3.42Å; S759-D762 PolarHBondContact N-OD2 2.87Å; S759-D762 PolarHBondContact O-N 3.14Å; S759-D762 VanDerWaalsContact O-N 3.09Å; S759-S763 PolarHBondContact O-N 3.49Å | ||
| 760 | L | 57.6 | Low | 34.1 | Very low | 4 Ų | 4 | 89.3 Ų | 89.3 | 2% | 0.021 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -55.9 | -38.2 | 172.1 | -64.5 | -163.8 | 0 | 0 | 0 | 111 | M509 K510 V514 E556 D762 S763 | M509-L760 WeakPolarHBondContact O-CD2 3.39Å; K510-L760 VanDerWaalsContact CA-CD2 3.42Å; K510-L760 HydrophobicContact CB-CD2 4.36Å; K510-L760 HydrophobicContact CG-CD2 4.37Å; V514-L760 HydrophobicContact CG2-CB 3.72Å; V514-L760 WeakPolarHBondContact CG2-O 3.28Å; E556-L760 HydrophobicContact CB-CD1 4.48Å; E556-L760 HydrophobicContact CG-CD1 3.79Å; E556-L760 HydrophobicContact CG-CG 4.43Å; L760-D762 VanDerWaalsContact C-N 3.32Å; L760-D762 PolarHBondContact O-N 3.27Å; L760-S763 VanDerWaalsContact O-CB 3.3Å; L760-S763 WeakPolarHBondContact O-CB 3.48Å; L760-S763 PolarHBondContact O-N 2.87Å |
| 761 | T | 52.2 | Low | 34.5 | Very low | 31 Ų | 31 | 87.3 Ų | 87.3 | 19% | 0.19 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -66.6 | -30.3 | 178.3 | 49.4 | 0 | 0 | 0 | 0 | 113.4 | S759 S763 Y765 | S759-T761 PolarHBondContact O-N 3.47Å; S759-T761 PolarHBondContact OG-N 3.45Å; S759-T761 PolarHBondContact OG-OG1 2.86Å; T761-S763 VanDerWaalsContact C-N 3.34Å; T761-Y765 WeakPolarHBondContact O-CD2 3.27Å |
| 762 | D | 41.6 | Very low | 34.5 | Very low | 77 Ų | 77 | 88.1 Ų | 88.1 | 41% | 0.412 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.8 | -26.1 | 179.6 | -63.7 | -24.8 | 0 | 0 | 0 | 111.9 | F758 S759 L760 L764 Y765 S766 | F758-D762 HydrophobicContact CD1-CB 4.33Å; S759-D762 WeakPolarHBondContact CB-OD2 3.42Å; S759-D762 PolarHBondContact N-OD2 2.87Å; S759-D762 PolarHBondContact O-N 3.14Å; S759-D762 VanDerWaalsContact O-N 3.09Å; L760-D762 VanDerWaalsContact C-N 3.32Å; L760-D762 PolarHBondContact O-N 3.27Å; D762-L764 VanDerWaalsContact C-N 3.27Å; D762-L764 PolarHBondContact O-N 3.49Å; D762-Y765 PolarHBondContact O-N 3.32Å; D762-Y765 VanDerWaalsContact O-N 3.15Å; D762-S766 WeakPolarHBondContact O-CB 3.32Å; D762-S766 PolarHBondContact O-N 3.36Å |
| 763 | S | 47.1 | Very low | 34.8 | Very low | 24 Ų | 24 | 90.8 Ų | 90.8 | 17% | 0.168 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -56.8 | -40.3 | 175 | -178 | 0 | 0 | 0 | 0 | 111.8 | S759 L760 T761 Y765 S766 V767 | S759-S763 PolarHBondContact O-N 3.49Å; L760-S763 VanDerWaalsContact O-CB 3.3Å; L760-S763 WeakPolarHBondContact O-CB 3.48Å; L760-S763 PolarHBondContact O-N 2.87Å; T761-S763 VanDerWaalsContact C-N 3.34Å; S763-Y765 VanDerWaalsContact C-N 3.27Å; S763-Y765 PolarHBondContact O-N 3.3Å; S763-S766 PolarHBondContact O-N 3.38Å; S763-V767 WeakPolarHBondContact O-CG2 3.25Å; S763-V767 PolarHBondContact O-N 3.28Å; S763-V767 VanDerWaalsContact O-N 3.15Å |
| 764 | L | 39.9 | Very low | 34.9 | Very low | 54 Ų | 54 | 87.1 Ų | 87.1 | 28% | 0.283 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -33 | 178.5 | -82.8 | 174.4 | 0 | 0 | 0 | 113.4 | V514 I674 D762 | V514-L764 HydrophobicContact CB-CD1 4.15Å; V514-L764 HydrophobicContact CB-CG 4.33Å; V514-L764 HydrophobicContact CG1-CD1 3.46Å; V514-L764 VanDerWaalsContact CG1-CD1 3.46Å; V514-L764 HydrophobicContact CG1-CG 4.17Å; V514-L764 HydrophobicContact CG2-CD1 4.37Å; V514-L764 HydrophobicContact CG2-CG 4.41Å; I674-L764 HydrophobicContact CD1-CD1 3.9Å; D762-L764 VanDerWaalsContact C-N 3.27Å; D762-L764 PolarHBondContact O-N 3.49Å |
| 765 | Y | 36.9 | Very low | 34.9 | Very low | 158 Ų | 158 | 88.9 Ų | 88.9 | 62% | 0.62 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -94.3 | -23.6 | -178.4 | -65.2 | -75.3 | 0 | 0 | 0 | 112.7 | T761 D762 S763 | T761-Y765 WeakPolarHBondContact O-CD2 3.27Å; D762-Y765 PolarHBondContact O-N 3.32Å; D762-Y765 VanDerWaalsContact O-N 3.15Å; S763-Y765 VanDerWaalsContact C-N 3.27Å; S763-Y765 PolarHBondContact O-N 3.3Å |
| 766 | S | 32.4 | Very low | 35.2 | Very low | 56 Ų | 56 | 92.8 Ų | 92.8 | 39% | 0.392 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -81 | -22.5 | 176.9 | -177.4 | 0 | 0 | 0 | 0 | 113.7 | D762 S763 A768 D769 | D762-S766 WeakPolarHBondContact O-CB 3.32Å; D762-S766 PolarHBondContact O-N 3.36Å; S763-S766 PolarHBondContact O-N 3.38Å; S766-A768 VanDerWaalsContact C-N 3.25Å; S766-A768 PolarHBondContact O-N 3.08Å; S766-D769 PolarHBondContact O-N 3.34Å |
| 767 | V | 33.9 | Very low | 35.4 | Very low | 66 Ų | 66 | 97.7 Ų | 97.7 | 40% | 0.4 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -69.7 | -24.1 | -179.8 | 170.5 | 0 | 0 | 0 | 0 | 111.9 | L687 S763 D769 S770 | L687-V767 HydrophobicContact CD2-CG1 4.27Å; S763-V767 WeakPolarHBondContact O-CG2 3.25Å; S763-V767 PolarHBondContact O-N 3.28Å; S763-V767 VanDerWaalsContact O-N 3.15Å; V767-D769 VanDerWaalsContact C-N 3.27Å; V767-D769 PolarHBondContact O-N 3.18Å; V767-S770 PolarHBondContact O-N 2.95Å; V767-S770 PolarHBondContact O-OG 3.19Å; V767-S770 VanDerWaalsContact O-OG 3.05Å |
| 768 | A | 30.9 | Very low | 35.4 | Very low | 65 Ų | 65 | 99 Ų | 99 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -68.8 | -19.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S766 | S766-A768 VanDerWaalsContact C-N 3.25Å; S766-A768 PolarHBondContact O-N 3.08Å |
| 769 | D | 27.3 | Very low | 35.4 | Very low | 145 Ų | 145 | 95.8 Ų | 95.8 | 78% | 0.775 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -105.5 | 5.5 | -178.6 | -95.6 | -24.7 | 0 | 0 | 0 | 113.8 | S766 V767 | S766-D769 PolarHBondContact O-N 3.34Å; V767-D769 VanDerWaalsContact C-N 3.27Å; V767-D769 PolarHBondContact O-N 3.18Å |
| 770 | S | 27.8 | Very low | 34.4 | Very low | 62 Ų | 62 | 104 Ų | 104 | 43% | 0.434 | 55% | 0.549 | S | S | . | . | trans | -98.7 | 11.2 | -174.4 | 64.3 | 0 | 0 | 0 | 0 | 115.6 | V767 N772 M773 | V767-S770 PolarHBondContact O-N 2.95Å; V767-S770 PolarHBondContact O-OG 3.19Å; V767-S770 VanDerWaalsContact O-OG 3.05Å; S770-N772 PolarHBondContact O-N 3.49Å; S770-M773 PolarHBondContact O-N 3.26Å | ||
| 771 | T | 29.4 | Very low | 33.5 | Very low | 86 Ų | 86 | 112.2 Ų | 112.2 | 53% | 0.528 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.7 | 1.4 | 175.3 | 40.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 772 | N | 29.8 | Very low | 32.7 | Very low | 153 Ų | 153 | 116.4 Ų | 116.4 | 82% | 0.818 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | 14.4 | 179.9 | -71.8 | -41.4 | 0 | 0 | 0 | 115.3 | S770 | S770-N772 PolarHBondContact O-N 3.49Š|
| 773 | M | 28.2 | Very low | 32.3 | Very low | 158 Ų | 158 | 117.6 Ų | 117.6 | 78% | 0.778 | 61% | 0.611 | S | S | * | * | trans | -112.6 | 25.5 | 172.2 | -81 | -118 | 66.3 | 0 | 0 | 113.5 | S770 D775 | S770-M773 PolarHBondContact O-N 3.26Å; M773-D775 PolarHBondContact O-N 3.34Å | ||
| 774 | V | 27.7 | Very low | 31.5 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | trans | -92.9 | 79.2 | 167.8 | -173.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 775 | D | 27.2 | Very low | 31.3 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 84% | 0.84 | 66% | 0.661 | S | S | * | * | trans | -178.6 | 68 | 164.3 | -98.4 | -23.3 | 0 | 0 | 0 | 110.7 | M773 | M773-D775 PolarHBondContact O-N 3.34Š| ||
| 776 | E | 28.6 | Very low | 31.3 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 73% | 0.734 | 66% | 0.659 | S | S | * | * | trans | -157.6 | 132.1 | 158.5 | -117.4 | 175 | -167.5 | 0 | 0 | 110.2 | ||||
| 777 | Y | 30.9 | Very low | 31.4 | Very low | 210 Ų | 210 | 134 Ų | 134 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 98.7 | 115.7 | 176.9 | -62.9 | -85.5 | 0 | 0 | 0 | 118.3 | ||
| 778 | L | 29.6 | Very low | 31.5 | Very low | 138 Ų | 138 | 135 Ų | 135 | 72% | 0.723 | 69% | 0.687 | S | S | * | * | trans | 80.3 | 62.5 | 173.4 | -69.9 | 128.7 | 0 | 0 | 0 | 117.5 | F780 M783 | L778-F780 PolarHBondContact O-N 3.43Å; L778-M783 HydrophobicContact CB-CE 4.41Å; L778-M783 HydrophobicContact CD2-CE 4.04Å | ||
| 779 | S | 32.2 | Very low | 31.5 | Very low | 76 Ų | 76 | 138.9 Ų | 138.9 | 53% | 0.531 | 70% | 0.699 | S | S | . | * | trans | -56.4 | 130.3 | 163.1 | 88.7 | 0 | 0 | 0 | 0 | 111.9 | K781 N782 | S779-K781 PolarHBondContact O-N 3.41Å; S779-N782 PolarHBondContact O-N 2.96Å; S779-N782 VanDerWaalsContact O-N 3.15Å | ||
| 780 | F | 31.4 | Very low | 31.7 | Very low | 192 Ų | 192 | 135.8 Ų | 135.8 | 84% | 0.842 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -47.8 | -14.2 | 175.3 | -112.9 | -100.9 | 0 | 0 | 0 | 115.5 | L778 | L778-F780 PolarHBondContact O-N 3.43Å |
| 781 | K | 37.7 | Very low | 31.7 | Very low | 177 Ų | 177 | 142 Ų | 142 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -82.4 | -21.9 | -176.9 | -144.8 | 171.8 | -176.7 | 176.7 | 0 | 113.2 | S779 | S779-K781 PolarHBondContact O-N 3.41Å |
| 782 | N | 36.5 | Very low | 31.7 | Very low | 120 Ų | 120 | 147.3 Ų | 147.3 | 64% | 0.642 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -91.1 | -23.2 | -179.8 | -76.3 | -15.6 | 0 | 0 | 0 | 113.8 | S779 R784 | S779-N782 PolarHBondContact O-N 2.96Å; S779-N782 VanDerWaalsContact O-N 3.15Å; N782-R784 VanDerWaalsContact C-N 3.33Å |
| 783 | M | 32.7 | Very low | 31.6 | Very low | 101 Ų | 101 | 147.1 Ų | 147.1 | 50% | 0.498 | 74% | 0.74 | S | S | . | * | H | α-helix | trans | -71.6 | -26.5 | 172.7 | -96.3 | 178.1 | -95.9 | 0 | 0 | 112.9 | L778 K785 I786 | L778-M783 HydrophobicContact CB-CE 4.41Å; L778-M783 HydrophobicContact CD2-CE 4.04Å; M783-K785 PolarHBondContact O-N 3.49Å; M783-I786 PolarHBondContact O-N 3.06Å |
| 784 | R | 30.9 | Very low | 31.5 | Very low | 209 Ų | 209 | 148.2 Ų | 148.2 | 79% | 0.789 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -8.4 | -179.3 | -139.4 | 178.6 | -164.5 | 173.2 | 5.3 | 114.7 | N782 S788 | N782-R784 VanDerWaalsContact C-N 3.33Å; R784-S788 PolarHBondContact O-OG 2.92Å; R784-S788 VanDerWaalsContact O-OG 3.11Å |
| 785 | K | 35.1 | Very low | 31.5 | Very low | 166 Ų | 166 | 152 Ų | 152 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -11.7 | 178.9 | -153.6 | 177.6 | -179 | -176.8 | 0 | 113.3 | M783 | M783-K785 PolarHBondContact O-N 3.49Š|
| 786 | I | 36.3 | Very low | 31.4 | Very low | 112 Ų | 112 | 150.2 Ų | 150.2 | 57% | 0.574 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -12.4 | -178.1 | -62.4 | 174.9 | 0 | 0 | 0 | 111.6 | M783 | M783-I786 PolarHBondContact O-N 3.06Š|
| 787 | I | 35.7 | Very low | 31.5 | Very low | 150 Ų | 150 | 148.7 Ų | 148.7 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -97.6 | -3.1 | -178.6 | -61.9 | 172.7 | 0 | 0 | 0 | 111.5 | ||
| 788 | S | 35.1 | Very low | 31.2 | Very low | 87 Ų | 87 | 147.8 Ų | 147.8 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -101.7 | -7.4 | -172.7 | -44.7 | 0 | 0 | 0 | 0 | 115.6 | R784 | R784-S788 PolarHBondContact O-OG 2.92Å; R784-S788 VanDerWaalsContact O-OG 3.11Å |
| 789 | D | 32.2 | Very low | 31.2 | Very low | 146 Ų | 146 | 150.9 Ų | 150.9 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -131.9 | 107.1 | -175.1 | -72 | -31.2 | 0 | 0 | 0 | 110.3 | ||
| 790 | G | 31 | Very low | 30.9 | Very low | 81 Ų | 81 | 152.7 Ų | 152.7 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | 145.7 | 47.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 791 | E | 27.1 | Very low | 30.6 | Very low | 192 Ų | 192 | 151.7 Ų | 151.7 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | trans | -75.8 | 122.9 | 156 | -75.4 | -175.8 | 147.3 | 0 | 0 | 109 | ||||
| 792 | E | 30.6 | Very low | 30.1 | Very low | 197 Ų | 197 | 153.1 Ų | 153.1 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -158.5 | 133.7 | 144.7 | -116.8 | 178.8 | -162.9 | 0 | 0 | 113.1 | ||||
| 793 | I | 25.9 | Very low | 29.6 | Very low | 149 Ų | 149 | 153 Ų | 153 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | -84.6 | 140.7 | -169.8 | -66.9 | 153 | 0 | 0 | 0 | 110.5 | ||||
| 794 | Q | 28 | Very low | 29.3 | Very low | 181 Ų | 181 | 158.1 Ų | 158.1 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -176.3 | 111.3 | 138.9 | -103.1 | 160.2 | 66.3 | 0 | 0 | 116.8 | ||||
| 795 | K | 26.5 | Very low | 29.1 | Very low | 193 Ų | 193 | 156.3 Ų | 156.3 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | 45.5 | 137.3 | 135.6 | -68.6 | 178.5 | 177.4 | 175.2 | 0 | 123 | ||||
| 796 | P | 26 | Very low | 28.8 | Very low | 121 Ų | 121 | 157.2 Ų | 157.2 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 151.6 | 176.9 | 36.9 | -32.8 | 0 | 0 | 0 | 112.8 | ||
| 797 | P | 29.3 | Very low | 28.3 | Very low | 125 Ų | 125 | 156 Ų | 156 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 148 | 175.6 | 34.7 | -30.9 | 0 | 0 | 0 | 112.8 | ||
| 798 | K | 24.9 | Very low | 27.9 | Very low | 190 Ų | 190 | 151.8 Ų | 151.8 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -91 | 135.4 | 169.3 | -65.8 | 176.3 | 172.6 | -177 | 0 | 110.2 | ||
| 799 | F | 29.3 | Very low | 27.5 | Very low | 203 Ų | 203 | 153.4 Ų | 153.4 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -167.4 | 116.1 | 155 | -90.8 | -76.5 | 0 | 0 | 0 | 105.5 | ||||
| 800 | V | 26.1 | Very low | 27.6 | Very low | 114 Ų | 114 | 154 Ų | 154 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | 66.8 | 108.9 | 50.3 | -171.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 801 | E | 25.9 | Very low | 27.8 | Very low | 172 Ų | 172 | 155.5 Ų | 155.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 48.4 | 94.6 | 153.5 | -71.7 | 173.3 | 138.1 | 0 | 0 | 119.4 | ||||
| 802 | E | 27.2 | Very low | 28.1 | Very low | 207 Ų | 207 | 150.5 Ų | 150.5 | 97% | 0.967 | 79% | 0.794 | S | S | * | * | trans | -125.6 | 92.1 | 137.5 | -100.8 | 179.9 | 170.7 | 0 | 0 | 108.3 | ||||
| 803 | D | 25 | Very low | 28.5 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 63% | 0.631 | 78% | 0.779 | S | S | * | * | trans | -81.4 | 139.8 | 174.3 | -147.4 | 20.7 | 0 | 0 | 0 | 108.3 | ||||
| 804 | R | 26.3 | Very low | 29.3 | Very low | 208 Ų | 208 | 143.2 Ų | 143.2 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 72.9 | 64.7 | 153.9 | -53.6 | 165.9 | -174.5 | -158.4 | -9.4 | 119.5 | ||
| 805 | L | 27.5 | Very low | 29.8 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 90% | 0.895 | 74% | 0.736 | S | S | * | * | trans | -149.3 | 13.7 | 158.2 | -86.2 | -170.6 | 0 | 0 | 0 | 117.8 | ||||
| 806 | L | 29.2 | Very low | 30.8 | Very low | 184 Ų | 184 | 132.6 Ų | 132.6 | 96% | 0.963 | 72% | 0.718 | S | S | * | * | trans | -123.8 | 59.1 | 172.2 | -66.1 | 173.9 | 0 | 0 | 0 | 111.5 | ||||
| 807 | G | 25.1 | Very low | 31.7 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 91% | 0.907 | 71% | 0.706 | S | S | * | * | trans | -88.3 | 96.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 808 | G | 27 | Very low | 32.5 | Very low | 61 Ų | 61 | 130.4 Ų | 130.4 | 63% | 0.629 | 69% | 0.689 | S | S | * | * | trans | -135.2 | 98.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | F810 | G808-F810 PolarHBondContact O-N 3.01Å; G808-F810 VanDerWaalsContact O-N 3.13Å | ||
| 809 | C | 27.9 | Very low | 33.3 | Very low | 120 Ų | 120 | 122.5 Ų | 122.5 | 81% | 0.811 | 66% | 0.657 | S | S | * | * | trans | -55 | 114.1 | 168.7 | -80.9 | 0 | 0 | 0 | 0 | 109.2 | N811 | C809-N811 PolarHBondContact O-N 3.5Å; C809-N811 VanDerWaalsContact O-N 3.11Å | ||
| 810 | F | 34.6 | Very low | 34.5 | Very low | 160 Ų | 160 | 115 Ų | 115 | 70% | 0.702 | 63% | 0.633 | S | S | * | * | trans | -67.9 | 105.9 | 159.9 | -82.2 | -78.4 | 0 | 0 | 0 | 107.8 | G808 E814 | G808-F810 PolarHBondContact O-N 3.01Å; G808-F810 VanDerWaalsContact O-N 3.13Å; F810-E814 HydrophobicContact CD1-CB 4.27Å; F810-E814 VanDerWaalsContact CD1-OE2 3.3Å; F810-E814 WeakPolarHBondContact CD1-OE2 3.37Å | ||
| 811 | N | 34.1 | Very low | 35.5 | Very low | 112 Ų | 112 | 114.6 Ų | 114.6 | 60% | 0.599 | 62% | 0.624 | S | S | * | * | trans | -67.4 | 143 | 170.6 | -89.1 | -23.7 | 0 | 0 | 0 | 108.8 | C809 V813 E814 | C809-N811 PolarHBondContact O-N 3.5Å; C809-N811 VanDerWaalsContact O-N 3.11Å; N811-V813 PolarHBondContact O-N 3.02Å; N811-E814 PolarHBondContact O-N 3.35Å | ||
| 812 | S | 33.6 | Very low | 36.4 | Very low | 87 Ų | 87 | 110.6 Ų | 110.6 | 61% | 0.608 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -44.3 | -24.6 | 171.1 | 166.5 | 0 | 0 | 0 | 0 | 114 | N816 | S812-N816 WeakPolarHBondContact O-CB 3.25Å; S812-N816 PolarHBondContact O-N 3.09Å; S812-N816 VanDerWaalsContact O-N 3.09Å; S812-N816 PolarHBondContact O-ND2 3.41Å; S812-N816 PolarHBondContact OG-ND2 3.22Å |
| 813 | V | 39 | Very low | 37.5 | Very low | 99 Ų | 99 | 107.1 Ų | 107.1 | 60% | 0.6 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.3 | -45.1 | 175.8 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | N811 N816 E817 | N811-V813 PolarHBondContact O-N 3.02Å; V813-N816 PolarHBondContact O-N 3.07Å; V813-E817 PolarHBondContact O-N 3.41Å |
| 814 | E | 42.1 | Very low | 38.8 | Very low | 94 Ų | 94 | 108.1 Ų | 108.1 | 44% | 0.439 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68 | -36.7 | 179 | -91.1 | 177.5 | 148.8 | 0 | 0 | 111.7 | F810 N811 E817 I818 | F810-E814 HydrophobicContact CD1-CB 4.27Å; F810-E814 VanDerWaalsContact CD1-OE2 3.3Å; F810-E814 WeakPolarHBondContact CD1-OE2 3.37Å; N811-E814 PolarHBondContact O-N 3.35Å; E814-E817 PolarHBondContact O-N 3.34Å; E814-I818 WeakPolarHBondContact O-CG1 3.41Å; E814-I818 PolarHBondContact O-N 3.1Å |
| 815 | F | 38.9 | Very low | 39.7 | Very low | 64 Ų | 64 | 104.4 Ų | 104.4 | 28% | 0.281 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.1 | -42.4 | 175 | -177.8 | -96.3 | 0 | 0 | 0 | 112 | L266 E817 I818 C819 | L266-F815 HydrophobicContact CD1-CD2 4.48Å; L266-F815 HydrophobicContact CD1-CE2 4.02Å; L266-F815 HydrophobicContact CD1-CZ 4.4Å; F815-E817 VanDerWaalsContact C-N 3.3Å; F815-E817 PolarHBondContact O-N 3.24Å; F815-I818 PolarHBondContact O-N 2.91Å; F815-C819 WeakPolarHBondContact O-CB 3.47Å; F815-C819 PolarHBondContact O-N 3.13Å; F815-C819 PolarHBondContact O-SG 3.23Å |
| 816 | N | 47.4 | Very low | 40.4 | Very low | 86 Ų | 86 | 97.5 Ų | 97.5 | 46% | 0.46 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65 | -35.1 | 174 | -77.6 | -50.9 | 0 | 0 | 0 | 111.8 | S812 V813 A820 | S812-N816 WeakPolarHBondContact O-CB 3.25Å; S812-N816 PolarHBondContact O-N 3.09Å; S812-N816 VanDerWaalsContact O-N 3.09Å; S812-N816 PolarHBondContact O-ND2 3.41Å; S812-N816 PolarHBondContact OG-ND2 3.22Å; V813-N816 PolarHBondContact O-N 3.07Å; N816-A820 WeakPolarHBondContact O-CB 3.31Å; N816-A820 PolarHBondContact O-N 3.42Å |
| 817 | E | 46.2 | Very low | 41.3 | Very low | 113 Ų | 113 | 93.9 Ų | 93.9 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 174.6 | -110.4 | 177.3 | 164 | 0 | 0 | 112.5 | V813 E814 F815 A820 Q821 | V813-E817 PolarHBondContact O-N 3.41Å; E814-E817 PolarHBondContact O-N 3.34Å; F815-E817 VanDerWaalsContact C-N 3.3Å; F815-E817 PolarHBondContact O-N 3.24Å; E817-A820 PolarHBondContact O-N 3.37Å; E817-Q821 WeakPolarHBondContact O-CB 3.38Å; E817-Q821 VanDerWaalsContact O-CG 3.32Å; E817-Q821 WeakPolarHBondContact O-CG 3.33Å; E817-Q821 PolarHBondContact O-N 3.11Å |
| 818 | I | 44.5 | Very low | 42.2 | Very low | 87 Ų | 87 | 93.5 Ų | 93.5 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 176.2 | -66.4 | 165.3 | 0 | 0 | 0 | 110.2 | E814 F815 A820 Q821 Q822 | E814-I818 WeakPolarHBondContact O-CG1 3.41Å; E814-I818 PolarHBondContact O-N 3.1Å; F815-I818 PolarHBondContact O-N 2.91Å; I818-A820 VanDerWaalsContact C-N 3.31Å; I818-A820 PolarHBondContact O-N 3.45Å; I818-Q821 PolarHBondContact O-N 3.11Å; I818-Q822 VanDerWaalsContact O-CG 3.32Å; I818-Q822 WeakPolarHBondContact O-CG 3.2Å; I818-Q822 PolarHBondContact O-N 3.35Å |
| 819 | C | 43.1 | Very low | 42.9 | Very low | 24 Ų | 24 | 93.4 Ų | 93.4 | 16% | 0.162 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 174.5 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | F815 Q822 R823 | F815-C819 WeakPolarHBondContact O-CB 3.47Å; F815-C819 PolarHBondContact O-N 3.13Å; F815-C819 PolarHBondContact O-SG 3.23Å; C819-Q822 PolarHBondContact O-N 3.29Å; C819-R823 WeakPolarHBondContact O-CB 3.29Å; C819-R823 VanDerWaalsContact O-CG 3.26Å; C819-R823 WeakPolarHBondContact O-CG 3.31Å; C819-R823 PolarHBondContact O-N 2.63Å |
| 820 | A | 53.5 | Low | 43.7 | Very low | 47 Ų | 47 | 91.4 Ų | 91.4 | 39% | 0.388 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N816 E817 I818 Q822 R823 E824 | N816-A820 WeakPolarHBondContact O-CB 3.31Å; N816-A820 PolarHBondContact O-N 3.42Å; E817-A820 PolarHBondContact O-N 3.37Å; I818-A820 VanDerWaalsContact C-N 3.31Å; I818-A820 PolarHBondContact O-N 3.45Å; A820-Q822 VanDerWaalsContact C-N 3.35Å; A820-Q822 PolarHBondContact O-N 3.1Å; A820-R823 CarbonylContact O-C 3.59Å; A820-R823 PolarHBondContact O-N 3.17Å; A820-E824 VanDerWaalsContact O-CB 3.32Å; A820-E824 WeakPolarHBondContact O-CB 3.42Å; A820-E824 PolarHBondContact O-N 2.87Å |
| 821 | Q | 47.8 | Very low | 44.3 | Very low | 105 Ų | 105 | 86.2 Ų | 86.2 | 49% | 0.491 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 175.9 | -75.1 | 176.8 | 10.5 | 0 | 0 | 112.1 | E817 I818 E824 K825 | E817-Q821 WeakPolarHBondContact O-CB 3.38Å; E817-Q821 VanDerWaalsContact O-CG 3.32Å; E817-Q821 WeakPolarHBondContact O-CG 3.33Å; E817-Q821 PolarHBondContact O-N 3.11Å; I818-Q821 PolarHBondContact O-N 3.11Å; Q821-E824 PolarHBondContact O-N 2.83Å; Q821-K825 WeakPolarHBondContact O-CB 3.44Å; Q821-K825 WeakPolarHBondContact O-CG 3.02Å; Q821-K825 PolarHBondContact O-N 3.28Å |
| 822 | Q | 44.4 | Very low | 44.7 | Very low | 87 Ų | 87 | 87 Ų | 87 | 41% | 0.407 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.3 | -40 | 175 | -67.7 | -64.5 | -5.2 | 0 | 0 | 111.6 | I818 C819 A820 E824 K825 A826 | I818-Q822 VanDerWaalsContact O-CG 3.32Å; I818-Q822 WeakPolarHBondContact O-CG 3.2Å; I818-Q822 PolarHBondContact O-N 3.35Å; C819-Q822 PolarHBondContact O-N 3.29Å; A820-Q822 VanDerWaalsContact C-N 3.35Å; A820-Q822 PolarHBondContact O-N 3.1Å; Q822-E824 VanDerWaalsContact C-N 3.34Å; Q822-K825 PolarHBondContact O-N 3.46Å; Q822-A826 VanDerWaalsContact O-CB 3.3Å; Q822-A826 WeakPolarHBondContact O-CB 3.31Å; Q822-A826 PolarHBondContact O-N 2.84Å |
| 823 | R | 49.6 | Very low | 45 | Very low | 135 Ų | 135 | 84.1 Ų | 84.1 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 171.2 | -76.2 | 178.4 | -156.8 | 159.1 | 6.3 | 111.4 | C819 A820 A826 H827 | C819-R823 WeakPolarHBondContact O-CB 3.29Å; C819-R823 VanDerWaalsContact O-CG 3.26Å; C819-R823 WeakPolarHBondContact O-CG 3.31Å; C819-R823 PolarHBondContact O-N 2.63Å; A820-R823 CarbonylContact O-C 3.59Å; A820-R823 PolarHBondContact O-N 3.17Å; R823-A826 CarbonylContact O-C 3.6Å; R823-A826 PolarHBondContact O-N 3.12Å; R823-H827 VanDerWaalsContact O-CB 3.24Å; R823-H827 WeakPolarHBondContact O-CB 3.48Å; R823-H827 PolarHBondContact O-CD2 3.23Å; R823-H827 PolarHBondContact O-N 3.33Å |
| 824 | E | 52.3 | Low | 45.2 | Very low | 138 Ų | 138 | 81.5 Ų | 81.5 | 65% | 0.645 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67 | -42.5 | 179.8 | -169.9 | 177.9 | -171.9 | 0 | 0 | 111.3 | A820 Q821 Q822 H827 S828 | A820-E824 VanDerWaalsContact O-CB 3.32Å; A820-E824 WeakPolarHBondContact O-CB 3.42Å; A820-E824 PolarHBondContact O-N 2.87Å; Q821-E824 PolarHBondContact O-N 2.83Å; Q822-E824 VanDerWaalsContact C-N 3.34Å; E824-H827 CarbonylContact O-C 3.38Å; E824-H827 PolarHBondContact O-N 2.91Å; E824-S828 WeakPolarHBondContact O-CB 3.36Å; E824-S828 PolarHBondContact O-N 3.26Å |
| 825 | K | 46 | Very low | 45.4 | Very low | 131 Ų | 131 | 82.8 Ų | 82.8 | 57% | 0.57 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.4 | -46.7 | 171.4 | -75.7 | 177 | -178.2 | 173.2 | 0 | 111.8 | Q821 Q822 H827 S828 V829 | Q821-K825 WeakPolarHBondContact O-CB 3.44Å; Q821-K825 WeakPolarHBondContact O-CG 3.02Å; Q821-K825 PolarHBondContact O-N 3.28Å; Q822-K825 PolarHBondContact O-N 3.46Å; K825-H827 VanDerWaalsContact C-N 3.28Å; K825-H827 PolarHBondContact O-N 3.22Å; K825-S828 PolarHBondContact O-N 3.41Å; K825-V829 WeakPolarHBondContact O-CG2 3.39Å; K825-V829 PolarHBondContact O-N 3.27Å |
| 826 | A | 41.4 | Very low | 45.4 | Very low | 26 Ų | 26 | 81.3 Ų | 81.3 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.4 | -34.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q822 R823 R830 | Q822-A826 VanDerWaalsContact O-CB 3.3Å; Q822-A826 WeakPolarHBondContact O-CB 3.31Å; Q822-A826 PolarHBondContact O-N 2.84Å; R823-A826 CarbonylContact O-C 3.6Å; R823-A826 PolarHBondContact O-N 3.12Å; A826-R830 WeakPolarHBondContact O-CB 3.43Å; A826-R830 WeakPolarHBondContact O-CG 3.46Å; A826-R830 PolarHBondContact O-N 2.68Å |
| 827 | H | 48.5 | Very low | 45.1 | Very low | 108 Ų | 108 | 80.6 Ų | 80.6 | 50% | 0.5 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -71.7 | -36.3 | 174.8 | -89.4 | -66.7 | 0 | 0 | 0 | 112.5 | R823 E824 K825 R830 A831 | R823-H827 VanDerWaalsContact O-CB 3.24Å; R823-H827 WeakPolarHBondContact O-CB 3.48Å; R823-H827 PolarHBondContact O-CD2 3.23Å; R823-H827 PolarHBondContact O-N 3.33Å; E824-H827 CarbonylContact O-C 3.38Å; E824-H827 PolarHBondContact O-N 2.91Å; K825-H827 VanDerWaalsContact C-N 3.28Å; K825-H827 PolarHBondContact O-N 3.22Å; H827-R830 CarbonylContact O-C 3.58Å; H827-R830 WeakPolarHBondContact O-CB 3.45Å; H827-R830 PolarHBondContact O-N 3.36Å; H827-A831 VanDerWaalsContact O-CB 3.3Å; H827-A831 WeakPolarHBondContact O-CB 3.49Å; H827-A831 PolarHBondContact O-N 3.03Å |
| 828 | S | 45.1 | Very low | 45.1 | Very low | 80 Ų | 80 | 80.6 Ų | 80.6 | 56% | 0.559 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -68.4 | -44.4 | 176.5 | 174 | 0 | 0 | 0 | 0 | 111.2 | E824 K825 A831 H832 | E824-S828 WeakPolarHBondContact O-CB 3.36Å; E824-S828 PolarHBondContact O-N 3.26Å; K825-S828 PolarHBondContact O-N 3.41Å; S828-A831 PolarHBondContact O-N 2.94Å; S828-H832 PolarHBondContact O-N 3.16Å |
| 829 | V | 40.3 | Very low | 45 | Very low | 58 Ų | 58 | 81.4 Ų | 81.4 | 35% | 0.352 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 171.7 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | K825 A831 H832 M833 | K825-V829 WeakPolarHBondContact O-CG2 3.39Å; K825-V829 PolarHBondContact O-N 3.27Å; V829-A831 PolarHBondContact O-N 3.03Å; V829-H832 PolarHBondContact O-N 3.23Å; V829-M833 HydrophobicContact CG1-CG 4.34Å; V829-M833 HydrophobicContact CG1-SD 4.08Å; V829-M833 WeakPolarHBondContact O-CB 3.45Å; V829-M833 WeakPolarHBondContact O-CG 3.37Å; V829-M833 PolarHBondContact O-N 2.77Å |
| 830 | R | 44.8 | Very low | 45 | Very low | 78 Ų | 78 | 81 Ų | 81 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.1 | -42.7 | 172.6 | -95.2 | -176.3 | -111.7 | 173.8 | -1.8 | 113.3 | E371 A826 H827 M833 A834 | E371-R830 WeakPolarHBondContact OE1-CA 3.42Å; E371-R830 WeakPolarHBondContact OE1-CG 3.49Å; E371-R830 PolarHBondContact OE1-N 3.27Å; E371-R830 WeakPolarHBondContact OE2-CD 3.4Å; E371-R830 WeakPolarHBondContact OE2-CG 3.31Å; E371-R830 IonicContact OE2-NE 3.66Å; A826-R830 WeakPolarHBondContact O-CB 3.43Å; A826-R830 WeakPolarHBondContact O-CG 3.46Å; A826-R830 PolarHBondContact O-N 2.68Å; H827-R830 CarbonylContact O-C 3.58Å; H827-R830 WeakPolarHBondContact O-CB 3.45Å; H827-R830 PolarHBondContact O-N 3.36Å; R830-M833 PolarHBondContact O-N 3.31Å; R830-A834 WeakPolarHBondContact O-CA 3.09Å; R830-A834 WeakPolarHBondContact O-CB 3.46Å; R830-A834 PolarHBondContact O-N 3.07Å |
| 831 | A | 47.4 | Very low | 44.2 | Very low | 52 Ų | 52 | 80.8 Ų | 80.8 | 43% | 0.43 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.7 | -42.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110 | H827 S828 V829 A834 E835 | H827-A831 VanDerWaalsContact O-CB 3.3Å; H827-A831 WeakPolarHBondContact O-CB 3.49Å; H827-A831 PolarHBondContact O-N 3.03Å; S828-A831 PolarHBondContact O-N 2.94Å; V829-A831 PolarHBondContact O-N 3.03Å; A831-A834 PolarHBondContact O-N 2.96Å; A831-E835 WeakPolarHBondContact O-CG 3.5Å; A831-E835 PolarHBondContact O-N 3.41Å |
| 832 | H | 43.8 | Very low | 43.7 | Very low | 129 Ų | 129 | 79.1 Ų | 79.1 | 60% | 0.597 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.8 | -39.7 | 177 | -156.5 | 53.4 | 0 | 0 | 0 | 112.2 | S828 V829 E835 V836 | S828-H832 PolarHBondContact O-N 3.16Å; V829-H832 PolarHBondContact O-N 3.23Å; H832-E835 IonicContact ND1-OE2 2.71Å; H832-V836 VanDerWaalsContact O-CG2 3.27Å; H832-V836 WeakPolarHBondContact O-CG2 3.41Å; H832-V836 PolarHBondContact O-N 2.96Å; H832-V836 VanDerWaalsContact O-N 3.1Å |
| 833 | M | 38.4 | Very low | 43.3 | Very low | 26 Ų | 26 | 76.9 Ų | 76.9 | 13% | 0.128 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.2 | -36.2 | 172.4 | -73.2 | -174.9 | 95.4 | 0 | 0 | 111.7 | E371 I374 V829 R830 V836 F837 | E371-M833 HydrophobicContact CG-SD 3.96Å; I374-M833 HydrophobicContact CD1-CE 4.46Å; V829-M833 HydrophobicContact CG1-CG 4.34Å; V829-M833 HydrophobicContact CG1-SD 4.08Å; V829-M833 WeakPolarHBondContact O-CB 3.45Å; V829-M833 WeakPolarHBondContact O-CG 3.37Å; V829-M833 PolarHBondContact O-N 2.77Å; R830-M833 PolarHBondContact O-N 3.31Å; M833-V836 CarbonylContact O-C 3.58Å; M833-V836 WeakPolarHBondContact O-CB 3.39Å; M833-V836 PolarHBondContact O-N 2.96Å; M833-F837 HydrophobicContact CB-CD2 4.09Å; M833-F837 HydrophobicContact CB-CE2 4.16Å; M833-F837 HydrophobicContact CE-CE2 4.08Å; M833-F837 VanDerWaalsContact O-CB 3.32Å; M833-F837 WeakPolarHBondContact O-CB 3.24Å; M833-F837 WeakPolarHBondContact O-CD2 3.42Å; M833-F837 WeakPolarHBondContact O-CG 3.34Å; M833-F837 PolarHBondContact O-N 3.27Å |
| 834 | A | 43.4 | Very low | 42.6 | Very low | 44 Ų | 44 | 74.6 Ų | 74.6 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.8 | -37.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R830 A831 V836 F837 D838 | R830-A834 WeakPolarHBondContact O-CA 3.09Å; R830-A834 WeakPolarHBondContact O-CB 3.46Å; R830-A834 PolarHBondContact O-N 3.07Å; A831-A834 PolarHBondContact O-N 2.96Å; A834-V836 VanDerWaalsContact C-N 3.33Å; A834-F837 CarbonylContact O-C 3.58Å; A834-F837 PolarHBondContact O-N 3.15Å; A834-D838 VanDerWaalsContact O-CB 3.25Å; A834-D838 WeakPolarHBondContact O-CB 3.46Å; A834-D838 PolarHBondContact O-N 2.95Å |
| 835 | E | 45.7 | Very low | 41.7 | Very low | 121 Ų | 121 | 76.5 Ų | 76.5 | 57% | 0.565 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.2 | -46.9 | 168.2 | -76.3 | 173.6 | 172.9 | 0 | 0 | 110.2 | A831 H832 F837 D838 D839 | A831-E835 WeakPolarHBondContact O-CG 3.5Å; A831-E835 PolarHBondContact O-N 3.41Å; H832-E835 IonicContact ND1-OE2 2.71Å; E835-F837 VanDerWaalsContact C-N 3.33Å; E835-F837 PolarHBondContact O-N 3.33Å; E835-D838 PolarHBondContact O-N 3.32Å; E835-D839 WeakPolarHBondContact O-CB 3.27Å; E835-D839 VanDerWaalsContact O-CG 3.26Å; E835-D839 PolarHBondContact O-N 2.86Å |
| 836 | V | 39.1 | Very low | 41 | Very low | 32 Ų | 32 | 80 Ų | 80 | 19% | 0.194 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 175.3 | 173.3 | 0 | 0 | 0 | 0 | 111.9 | H832 M833 A834 I840 | H832-V836 VanDerWaalsContact O-CG2 3.27Å; H832-V836 WeakPolarHBondContact O-CG2 3.41Å; H832-V836 PolarHBondContact O-N 2.96Å; H832-V836 VanDerWaalsContact O-N 3.1Å; M833-V836 CarbonylContact O-C 3.58Å; M833-V836 WeakPolarHBondContact O-CB 3.39Å; M833-V836 PolarHBondContact O-N 2.96Å; A834-V836 VanDerWaalsContact C-N 3.33Å; V836-I840 HydrophobicContact CG1-CD1 3.9Å; V836-I840 VanDerWaalsContact O-CD1 3.25Å; V836-I840 WeakPolarHBondContact O-CD1 3.31Å; V836-I840 WeakPolarHBondContact O-CG1 3.45Å; V836-I840 PolarHBondContact O-N 3.4Å |
| 837 | F | 41.8 | Very low | 40.4 | Very low | 72 Ų | 72 | 85.3 Ų | 85.3 | 32% | 0.316 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -81.3 | -28.1 | -178.9 | -80.1 | -64.3 | 0 | 0 | 0 | 113.3 | M833 A834 E835 I840 S841 | M833-F837 HydrophobicContact CB-CD2 4.09Å; M833-F837 HydrophobicContact CB-CE2 4.16Å; M833-F837 HydrophobicContact CE-CE2 4.08Å; M833-F837 VanDerWaalsContact O-CB 3.32Å; M833-F837 WeakPolarHBondContact O-CB 3.24Å; M833-F837 WeakPolarHBondContact O-CD2 3.42Å; M833-F837 WeakPolarHBondContact O-CG 3.34Å; M833-F837 PolarHBondContact O-N 3.27Å; A834-F837 CarbonylContact O-C 3.58Å; A834-F837 PolarHBondContact O-N 3.15Å; E835-F837 VanDerWaalsContact C-N 3.33Å; E835-F837 PolarHBondContact O-N 3.33Å; F837-I840 HydrophobicContact CD1-CD1 4.41Å; F837-I840 CarbonylContact O-C 3.59Å; F837-I840 PolarHBondContact O-N 2.66Å; F837-S841 WeakPolarHBondContact O-CB 3.43Å; F837-S841 PolarHBondContact O-N 3.25Å |
| 838 | D | 45.8 | Very low | 39.5 | Very low | 112 Ų | 112 | 89.3 Ų | 89.3 | 60% | 0.599 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.5 | -36.7 | 171.2 | -85.5 | -10.8 | 0 | 0 | 0 | 109.8 | A834 E835 I840 S841 S842 | A834-D838 VanDerWaalsContact O-CB 3.25Å; A834-D838 WeakPolarHBondContact O-CB 3.46Å; A834-D838 PolarHBondContact O-N 2.95Å; E835-D838 PolarHBondContact O-N 3.32Å; D838-I840 PolarHBondContact O-N 3.49Å; D838-S841 PolarHBondContact O-N 3.14Å; D838-S842 WeakPolarHBondContact O-CB 3.45Å; D838-S842 PolarHBondContact O-N 3.31Å; D838-S842 PolarHBondContact O-OG 3.12Å |
| 839 | D | 43.8 | Very low | 38.6 | Very low | 105 Ų | 105 | 92.5 Ų | 92.5 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.2 | -32.6 | 169.9 | -76 | -15.3 | 0 | 0 | 0 | 111.8 | E835 S842 | E835-D839 WeakPolarHBondContact O-CB 3.27Å; E835-D839 VanDerWaalsContact O-CG 3.26Å; E835-D839 PolarHBondContact O-N 2.86Å; D839-S842 PolarHBondContact O-OG 2.99Å |
| 840 | I | 41.3 | Very low | 38 | Very low | 16 Ų | 16 | 98.9 Ų | 98.9 | 8% | 0.082 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -81.2 | -44.1 | 176.9 | -69.2 | 169.1 | 0 | 0 | 0 | 111.7 | M418 V459 V836 F837 D838 C843 | M418-I840 HydrophobicContact CE-CD1 3.83Å; M418-I840 HydrophobicContact CE-CG2 3.65Å; V459-I840 HydrophobicContact CG1-CB 4.47Å; V459-I840 HydrophobicContact CG1-CD1 3.62Å; V459-I840 HydrophobicContact CG1-CG1 3.52Å; V459-I840 HydrophobicContact CG1-CG2 4.24Å; V459-I840 HydrophobicContact CG2-CG1 4.26Å; V836-I840 HydrophobicContact CG1-CD1 3.9Å; V836-I840 VanDerWaalsContact O-CD1 3.25Å; V836-I840 WeakPolarHBondContact O-CD1 3.31Å; V836-I840 WeakPolarHBondContact O-CG1 3.45Å; V836-I840 PolarHBondContact O-N 3.4Å; F837-I840 HydrophobicContact CD1-CD1 4.41Å; F837-I840 CarbonylContact O-C 3.59Å; F837-I840 PolarHBondContact O-N 2.66Å; D838-I840 PolarHBondContact O-N 3.49Å; I840-C843 WeakPolarHBondContact O-CB 3.45Å; I840-C843 PolarHBondContact O-N 3.26Å; I840-C843 VanDerWaalsContact O-N 3.12Å |
| 841 | S | 37.1 | Very low | 37.2 | Very low | 41 Ų | 41 | 100.2 Ų | 100.2 | 29% | 0.287 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -78.1 | -22.2 | -175.5 | -163.6 | 0 | 0 | 0 | 0 | 112.2 | F837 D838 C843 D844 | F837-S841 WeakPolarHBondContact O-CB 3.43Å; F837-S841 PolarHBondContact O-N 3.25Å; D838-S841 PolarHBondContact O-N 3.14Å; S841-C843 PolarHBondContact O-N 3Å; S841-D844 PolarHBondContact O-N 2.73Å |
| 842 | S | 38.2 | Very low | 36.5 | Very low | 71 Ų | 71 | 102.9 Ų | 102.9 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -15.8 | 167.7 | 58 | 0 | 0 | 0 | 0 | 112.8 | D838 D839 | D838-S842 WeakPolarHBondContact O-CB 3.45Å; D838-S842 PolarHBondContact O-N 3.31Å; D838-S842 PolarHBondContact O-OG 3.12Å; D839-S842 PolarHBondContact O-OG 2.99Å |
| 843 | C | 35.8 | Very low | 35.8 | Very low | 39 Ų | 39 | 103 Ų | 103 | 26% | 0.264 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -22.9 | 169 | -69.2 | 0 | 0 | 0 | 0 | 113.4 | I840 S841 F845 | I840-C843 WeakPolarHBondContact O-CB 3.45Å; I840-C843 PolarHBondContact O-N 3.26Å; I840-C843 VanDerWaalsContact O-N 3.12Å; S841-C843 PolarHBondContact O-N 3Å; C843-F845 VanDerWaalsContact C-N 3.34Å; C843-F845 PolarHBondContact O-N 3.1Å |
| 844 | D | 35.1 | Very low | 35.5 | Very low | 88 Ų | 88 | 109.6 Ų | 109.6 | 47% | 0.471 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -6.2 | -179.4 | -76 | -26.7 | 0 | 0 | 0 | 114 | K414 S841 | K414-D844 IonicContact NZ-OD1 3.35Å; S841-D844 PolarHBondContact O-N 2.73Å |
| 845 | F | 32.4 | Very low | 34.7 | Very low | 177 Ų | 177 | 114.7 Ų | 114.7 | 78% | 0.776 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 6.8 | 177.5 | -94.8 | -84.7 | 0 | 0 | 0 | 115.7 | C843 | C843-F845 VanDerWaalsContact C-N 3.34Å; C843-F845 PolarHBondContact O-N 3.1Å |
| 846 | Y | 31.4 | Very low | 34.1 | Very low | 206 Ų | 206 | 116.4 Ų | 116.4 | 81% | 0.808 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -126.3 | 24.3 | 179.4 | -76.9 | -80.8 | 0 | 0 | 0 | 114.7 | ||
| 847 | L | 29.4 | Very low | 33.7 | Very low | 136 Ų | 136 | 118.4 Ų | 118.4 | 71% | 0.712 | 64% | 0.644 | S | S | * | * | trans | -112.3 | 60 | 175.7 | -79.9 | 162.8 | 0 | 0 | 0 | 111.3 | ||||
| 848 | H | 29.9 | Very low | 33 | Very low | 192 Ų | 192 | 122.6 Ų | 122.6 | 89% | 0.889 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -157 | 38.7 | 164.7 | -104.8 | -53.6 | 0 | 0 | 0 | 112.6 | ||
| 849 | D | 25.5 | Very low | 32.4 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 79% | 0.791 | 68% | 0.681 | S | S | * | * | trans | -165.4 | 88 | 160.8 | -136.8 | -5.3 | 0 | 0 | 0 | 112.3 | ||||
| 850 | M | 28 | Very low | 31.7 | Very low | 191 Ų | 191 | 130.3 Ų | 130.3 | 94% | 0.941 | 69% | 0.692 | S | S | * | * | trans | -149.5 | 65.6 | 164.3 | -77.9 | -56.3 | -144.7 | 0 | 0 | 109.7 | ||||
| 851 | S | 29 | Very low | 31.3 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | -99.9 | 135 | 156.1 | -69.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 852 | P | 31.8 | Very low | 30.9 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | -66.6 | 144.7 | 179.6 | 28.9 | -34 | 0 | 0 | 0 | 110.5 | I854 | P852-I854 PolarHBondContact O-N 2.72Å; P852-I854 VanDerWaalsContact O-N 3.09Å | ||
| 853 | P | 28.6 | Very low | 30.6 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -76.2 | 106.8 | -173.9 | 30.4 | -31.6 | 0 | 0 | 0 | 110.2 | ||||
| 854 | I | 31.7 | Very low | 30.2 | Very low | 164 Ų | 164 | 153.8 Ų | 153.8 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -88.2 | 106.9 | 160.9 | -60.6 | -179.8 | 0 | 0 | 0 | 108.1 | P852 N856 | P852-I854 PolarHBondContact O-N 2.72Å; P852-I854 VanDerWaalsContact O-N 3.09Å; I854-N856 PolarHBondContact O-N 3.04Å | ||
| 855 | L | 28 | Very low | 30.1 | Very low | 152 Ų | 152 | 158.4 Ų | 158.4 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | trans | -46.7 | 112.6 | 168.6 | -167 | 85.4 | 0 | 0 | 0 | 111.7 | ||||
| 856 | N | 32.8 | Very low | 30 | Very low | 156 Ų | 156 | 156.8 Ų | 156.8 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | 177.7 | 122.6 | 138.8 | -92.9 | -25.1 | 0 | 0 | 0 | 113.7 | I854 | I854-N856 PolarHBondContact O-N 3.04Š| ||
| 857 | G | 30.4 | Very low | 29.8 | Very low | 74 Ų | 74 | 157.2 Ų | 157.2 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | trans | 94.1 | 79.1 | 135.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 858 | L | 27.6 | Very low | 29.8 | Very low | 160 Ų | 160 | 157.8 Ų | 157.8 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | 25.7 | 115.5 | 131.5 | -83 | 145.7 | 0 | 0 | 0 | 119.5 | ||||
| 859 | K | 33.1 | Very low | 30 | Very low | 198 Ų | 198 | 153.6 Ų | 153.6 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | 179.6 | 113.6 | 107.2 | -98.2 | 171.1 | -178 | 177.4 | 0 | 114.3 | |||||
| 860 | K | 28.3 | Very low | 30.1 | Very low | 182 Ų | 182 | 152.2 Ų | 152.2 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | trans | -0.1 | 135 | 146.1 | -71.2 | 174 | 171 | 177.6 | 0 | 118.7 | ||||
| 861 | L | 32.7 | Very low | 30.1 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | -165.2 | 147.6 | 107.3 | -99.8 | 152.8 | 0 | 0 | 0 | 112 | |||||
| 862 | Q | 28.7 | Very low | 30.2 | Very low | 185 Ų | 185 | 150.1 Ų | 150.1 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -100.2 | 163.3 | -157.5 | -69.6 | 165.7 | -50.6 | 0 | 0 | 114.2 | ||||
| 863 | G | 31.6 | Very low | 30 | Very low | 72 Ų | 72 | 151.7 Ų | 151.7 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | trans | 149 | 80.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 864 | R | 28.3 | Very low | 30.1 | Very low | 228 Ų | 228 | 152.4 Ų | 152.4 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | 60.5 | 104.6 | 72.7 | -154.4 | -176.1 | -166.4 | -178.5 | 3 | 112.5 | |||||
| 865 | E | 33.9 | Very low | 30 | Very low | 185 Ų | 185 | 150.7 Ų | 150.7 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | -165.1 | 126.7 | 115.4 | -100.9 | 172.5 | -162.4 | 0 | 0 | 112 | |||||
| 866 | N | 28.9 | Very low | 30.1 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | -87.1 | 144.4 | 178 | -72.4 | -30.3 | 0 | 0 | 0 | 109.7 | ||||
| 867 | F | 28.5 | Very low | 29.7 | Very low | 214 Ų | 214 | 150.1 Ų | 150.1 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | trans | -141 | 124.8 | 142.1 | -99.7 | -83 | 0 | 0 | 0 | 109.5 | ||||
| 868 | N | 28.5 | Very low | 29.6 | Very low | 149 Ų | 149 | 153.3 Ų | 153.3 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -128.2 | 173.1 | 176.5 | -139.5 | 9.6 | 0 | 0 | 0 | 107 | ||||
| 869 | P | 34.7 | Very low | 29.5 | Very low | 104 Ų | 104 | 154.3 Ų | 154.3 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | -116.7 | -159.9 | -116.5 | 34.1 | -12.8 | 0 | 0 | 0 | 112.2 | |||||
| 870 | S | 26.7 | Very low | 29.2 | Very low | 119 Ų | 119 | 154.8 Ų | 154.8 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | 90.3 | 132.7 | -178.9 | 78.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 871 | S | 28.2 | Very low | 29.1 | Very low | 106 Ų | 106 | 153.2 Ų | 153.2 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | cis | -170.3 | 143.9 | 30.3 | 53.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 872 | V | 31.8 | Very low | 28.7 | Very low | 146 Ų | 146 | 150.4 Ų | 150.4 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | -160.8 | 100.6 | 138.7 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 873 | N | 27.3 | Very low | 28.5 | Very low | 142 Ų | 142 | 150 Ų | 150 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -69.4 | 144.9 | 152.9 | -85 | -24.3 | 0 | 0 | 0 | 108 | ||||
| 874 | D | 30.8 | Very low | 28.2 | Very low | 147 Ų | 147 | 155.1 Ų | 155.1 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | 179.4 | 133.6 | 118.8 | -88.3 | -21.7 | 0 | 0 | 0 | 113.6 | |||||
| 875 | T | 29.2 | Very low | 28 | Very low | 128 Ų | 128 | 154.5 Ų | 154.5 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | 59.1 | 106.4 | 156.7 | 30.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 876 | V | 30.4 | Very low | 27.6 | Very low | 141 Ų | 141 | 152.6 Ų | 152.6 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | -163.3 | 97.5 | 93.5 | 176.2 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 877 | N | 24.6 | Very low | 27.5 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | trans | -97.8 | 120.7 | 158.1 | -105 | -21.7 | 0 | 0 | 0 | 106.7 | ||||
| 878 | N | 27.1 | Very low | 27.3 | Very low | 141 Ų | 141 | 148 Ų | 148 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | 162.5 | 131.8 | 135.4 | -88.5 | -37.6 | 0 | 0 | 0 | 112.7 | ||||
| 879 | K | 25.7 | Very low | 27.4 | Very low | 181 Ų | 181 | 149.4 Ų | 149.4 | 79% | 0.787 | 81% | 0.81 | S | S | * | * | trans | 72 | 109.9 | 156.1 | -63.4 | 170.2 | 178.1 | -178.8 | 0 | 116.3 | ||||
| 880 | F | 27.3 | Very low | 27 | Very low | 207 Ų | 207 | 148.9 Ų | 148.9 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | -157 | 121 | 103.9 | -105.3 | -77.3 | 0 | 0 | 0 | 110.5 | |||||
| 881 | N | 26.3 | Very low | 27.1 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -61.2 | 136.6 | 171.7 | -70 | -30.4 | 0 | 0 | 0 | 110.4 | E883 | N881-E883 PolarHBondContact O-N 3.01Š| ||
| 882 | S | 23.5 | Very low | 27.2 | Very low | 114 Ų | 114 | 150.4 Ų | 150.4 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -53.3 | 110.8 | 144 | 37.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 883 | E | 25.5 | Very low | 27.1 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 167 | 137.2 | 147.9 | -95 | 176.1 | -169.1 | 0 | 0 | 110.2 | N881 | N881-E883 PolarHBondContact O-N 3.01Š| ||
| 884 | Q | 24.4 | Very low | 27.4 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | 87.4 | 85.5 | 172.4 | -53.8 | -177.2 | 6.8 | 0 | 0 | 118.5 | ||||
| 885 | F | 25 | Very low | 27.5 | Very low | 216 Ų | 216 | 144.5 Ų | 144.5 | 95% | 0.947 | 81% | 0.805 | S | S | * | * | trans | -122.5 | 94.2 | 137.7 | -100 | -82.5 | 0 | 0 | 0 | 109.4 | ||||
| 886 | N | 25.4 | Very low | 27.6 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -78.2 | 135.3 | 169.9 | -151.2 | 3.2 | 0 | 0 | 0 | 107.6 | N888 | N886-N888 PolarHBondContact O-N 3.33Š| ||
| 887 | P | 26.8 | Very low | 27.7 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -74.6 | 119.5 | 174.8 | 31.2 | -28.9 | 0 | 0 | 0 | 107.5 | ||
| 888 | N | 25 | Very low | 28.2 | Very low | 159 Ų | 159 | 144 Ų | 144 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | 163.7 | 106 | 153.2 | -83.3 | -32.5 | 0 | 0 | 0 | 110.3 | N886 | N886-N888 PolarHBondContact O-N 3.33Š| ||
| 889 | I | 30 | Very low | 28.5 | Very low | 180 Ų | 180 | 145 Ų | 145 | 92% | 0.923 | 80% | 0.799 | S | S | * | * | trans | -127.8 | 127.1 | 154.7 | -64.5 | -179.9 | 0 | 0 | 0 | 107.6 | ||||
| 890 | S | 25.3 | Very low | 28.9 | Very low | 92 Ų | 92 | 140.2 Ų | 140.2 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | trans | -119.7 | 150.5 | -170.2 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 891 | L | 28.5 | Very low | 29.1 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | 85.8 | 149.3 | 152.3 | -69.3 | 160.4 | 0 | 0 | 0 | 118.2 | I893 | L891-I893 HydrophobicContact CD2-CD1 4.49Å; L891-I893 HydrophobicContact CD2-CG1 3.71Å | ||
| 892 | P | 31.7 | Very low | 29.3 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | cis | -137.3 | 141.5 | 40.4 | 37.6 | -17.2 | 0 | 0 | 0 | 120.2 | ||||
| 893 | I | 29.5 | Very low | 29.6 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | 27 | 115.1 | 124.2 | -45.3 | -176.8 | 0 | 0 | 0 | 117.9 | L891 | L891-I893 HydrophobicContact CD2-CD1 4.49Å; L891-I893 HydrophobicContact CD2-CG1 3.71Å | |||
| 894 | G | 34 | Very low | 29.8 | Very low | 81 Ų | 81 | 130.4 Ų | 130.4 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -151.8 | 101.1 | 153 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 895 | G | 32 | Very low | 29.9 | Very low | 82 Ų | 82 | 127.2 Ų | 127.2 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -79.8 | 170.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 896 | G | 31.4 | Very low | 30.1 | Very low | 72 Ų | 72 | 124.4 Ų | 124.4 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | 153.1 | 67.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 897 | N | 33.1 | Very low | 30.3 | Very low | 139 Ų | 139 | 127 Ų | 127 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | 67.8 | 110.9 | 138.6 | -76.6 | -23.3 | 0 | 0 | 0 | 122.5 | ||||
| 898 | R | 33.9 | Very low | 30.4 | Very low | 204 Ų | 204 | 130.5 Ų | 130.5 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | 108 | 100.3 | 113.1 | -75.8 | -178.6 | -170.8 | -148.6 | 3.2 | 119.4 | |||||
| 899 | L | 33.8 | Very low | 30.5 | Very low | 161 Ų | 161 | 127.9 Ų | 127.9 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | 69.3 | 119.2 | 115.9 | -67.8 | 165.9 | 0 | 0 | 0 | 119.5 | |||||
| 900 | G | 34.3 | Very low | 30.5 | Very low | 81 Ų | 81 | 129.3 Ų | 129.3 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | 175 | 82 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 901 | D | 30.7 | Very low | 30.6 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -51 | 149.3 | 177.9 | -81.1 | -43.9 | 0 | 0 | 0 | 115.4 | ||||
| 902 | G | 32.3 | Very low | 30.5 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | trans | 174.6 | 93.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 903 | S | 28.9 | Very low | 30.6 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 92% | 0.923 | 83% | 0.827 | S | S | * | * | trans | -62.7 | 138.3 | -177.5 | 51.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 904 | G | 29.4 | Very low | 30.7 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 83% | 0.833 | S | S | * | * | trans | -170.3 | 94.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I906 | G904-I906 PolarHBondContact O-N 2.97Š| ||
| 905 | A | 26.4 | Very low | 30.6 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -67.9 | 120.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 906 | I | 29.1 | Very low | 30.6 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | trans | -109.4 | 115.1 | 171.5 | -63.3 | 177.1 | 0 | 0 | 0 | 109.2 | G904 | G904-I906 PolarHBondContact O-N 2.97Š| ||
| 907 | K | 30.5 | Very low | 30.7 | Very low | 201 Ų | 201 | 144.8 Ų | 144.8 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -67.9 | 119.8 | 165.3 | -78.7 | 175.3 | 172.7 | 175.9 | 0 | 109.4 | S909 | K907-S909 PolarHBondContact O-N 3.14Š| ||
| 908 | L | 27.9 | Very low | 30.7 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -72.1 | 102.5 | 165.2 | -94 | 145.6 | 0 | 0 | 0 | 109.7 | ||||
| 909 | S | 28.5 | Very low | 30.7 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -82.8 | 123.6 | 172.1 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | K907 K911 | K907-S909 PolarHBondContact O-N 3.14Å; S909-K911 PolarHBondContact O-N 2.78Å | ||
| 910 | K | 28.5 | Very low | 30.6 | Very low | 210 Ų | 210 | 135 Ų | 135 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | -49.7 | 109 | 160.6 | -70.9 | 172.7 | 172.8 | 176.9 | 0 | 111 | ||||
| 911 | K | 27.3 | Very low | 30.6 | Very low | 196 Ų | 196 | 139.2 Ų | 139.2 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | -170.5 | 84.7 | 161.8 | -111.9 | -179.4 | -178.4 | -176 | 0 | 110.1 | S909 | S909-K911 PolarHBondContact O-N 2.78Š| ||
| 912 | L | 28.3 | Very low | 30.8 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -169.7 | 57.4 | 165.7 | -104.2 | 148.7 | 0 | 0 | 0 | 110.3 | ||||
| 913 | T | 31.9 | Very low | 31 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -145.2 | 23.5 | 173.1 | 43.3 | 0 | 0 | 0 | 0 | 113 | ||
| 914 | K | 33 | Very low | 31.3 | Very low | 202 Ų | 202 | 142.5 Ų | 142.5 | 88% | 0.878 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -126.5 | 6.2 | -173.8 | -95.4 | -172.1 | 176 | -173.6 | 0 | 117.4 | ||
| 915 | S | 32.2 | Very low | 31.4 | Very low | 92 Ų | 92 | 143.2 Ų | 143.2 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -117.4 | -7.7 | -178.6 | 71.1 | 0 | 0 | 0 | 0 | 116.6 | ||
| 916 | S | 32.1 | Very low | 31.7 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -96.6 | -8.7 | -177.3 | -46.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 917 | Q | 32.9 | Very low | 31.8 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -92 | -14.8 | -175.8 | -148.2 | 167.3 | 2.2 | 0 | 0 | 113.1 | ||
| 918 | A | 32.9 | Very low | 31.7 | Very low | 65 Ų | 65 | 139.6 Ų | 139.6 | 54% | 0.537 | 73% | 0.728 | S | S | . | * | S | Bend | trans | -99.1 | -1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 919 | V | 33.6 | Very low | 31.5 | Very low | 82 Ų | 82 | 140.8 Ų | 140.8 | 50% | 0.497 | 73% | 0.726 | S | S | . | * | S | Bend | trans | -89.7 | -31.3 | -178.3 | -177.8 | 0 | 0 | 0 | 0 | 111.6 | R922 | V919-R922 PolarHBondContact O-N 2.78Š|
| 920 | W | 32.9 | Very low | 31.4 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 58% | 0.576 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -71.5 | -32.7 | -177.4 | -71.7 | 83.3 | 0 | 0 | 0 | 113.9 | R922 | W920-R922 VanDerWaalsContact C-N 3.25Å; W920-R922 PolarHBondContact O-N 2.72Å |
| 921 | E | 33.1 | Very low | 31.5 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -73.7 | -15.5 | 180 | -68.3 | -179.7 | 162 | 0 | 0 | 113.2 | ||
| 922 | R | 36.2 | Very low | 31.7 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -94.9 | -19.8 | -174.4 | -118.7 | 177.7 | 176.4 | 175.2 | -4.3 | 114.6 | V919 W920 | V919-R922 PolarHBondContact O-N 2.78Å; W920-R922 VanDerWaalsContact C-N 3.25Å; W920-R922 PolarHBondContact O-N 2.72Å |
| 923 | E | 35.4 | Very low | 31.9 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 65% | 0.654 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -109.4 | -14.1 | -170.9 | -67.8 | -169 | 160.8 | 0 | 0 | 115.1 | ||
| 924 | F | 35.8 | Very low | 31.9 | Very low | 107 Ų | 107 | 138 Ų | 138 | 47% | 0.469 | 72% | 0.722 | S | S | . | * | trans | -132.4 | 17.5 | -171.9 | -63.5 | -77.9 | 0 | 0 | 0 | 116.1 | S926 L927 | F924-S926 PolarHBondContact O-N 3.18Å; F924-L927 HydrophobicContact CD1-CD1 4.3Å | ||
| 925 | G | 31.9 | Very low | 31.9 | Very low | 82 Ų | 82 | 134 Ų | 134 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 18.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 926 | S | 32.3 | Very low | 31.9 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | 11.9 | -177.3 | 66.3 | 0 | 0 | 0 | 0 | 115.5 | F924 | F924-S926 PolarHBondContact O-N 3.18Š|
| 927 | L | 30.5 | Very low | 31.8 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | trans | -110.4 | 13.2 | -174.2 | -80 | 163.2 | 0 | 0 | 0 | 115.9 | F924 | F924-L927 HydrophobicContact CD1-CD1 4.3Š| ||
| 928 | F | 28.1 | Very low | 31.8 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 72% | 0.719 | 72% | 0.716 | S | S | * | * | trans | -110.3 | 66.2 | 171.3 | -69.2 | -80.9 | 0 | 0 | 0 | 110.7 | ||||
| 929 | F | 23.1 | Very low | 31.7 | Very low | 199 Ų | 199 | 143.7 Ų | 143.7 | 87% | 0.873 | 73% | 0.731 | S | S | * | * | trans | -155.3 | 80.8 | 170.8 | -82.1 | -76.3 | 0 | 0 | 0 | 110.1 | ||||
| 930 | V | 27.1 | Very low | 31.5 | Very low | 203 Ų | 203 | 149.3 Ų | 149.3 | 100% | 1.23 | 75% | 0.752 | S | S | * | * | trans | -153.2 | 0 | 142.8 | 179.2 | 0 | 0 | 0 | 0 | 107.9 |
Retrieved 930 of 930 residues in 371 ms
(Link to these results)