| 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 | 28.9 | Very low | 30.6 | Very low | 207 Ų | 207 | 128.5 Ų | 128.5 | 100% | 1.02 | 77% | 0.77 | S | S | * | * | 0 | 130.6 | 0 | -57.4 | 156.9 | 81.6 | 0 | 0 | 106.7 | T908 | M1-T908 HydrophobicContact CE-CG2 3.31Å; M1-T908 HydrophobicContact SD-CG2 3.47Å; M1-T908 WeakPolarHBondContact SD-CG2 2.79Å | |||
| 2 | S | 36.7 | Very low | 30.4 | Very low | 117 Ų | 117 | 122 Ų | 122 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | cis | -122.1 | 128.1 | -0.1 | 36.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3 | N | 29.2 | Very low | 30.3 | Very low | 162 Ų | 162 | 119.8 Ų | 119.8 | 87% | 0.866 | 72% | 0.715 | S | S | * | * | trans | -97.4 | 129.7 | 167.5 | -78.2 | -7.6 | 0 | 0 | 0 | 108.7 | ||||
| 4 | S | 29.3 | Very low | 29.9 | Very low | 119 Ų | 119 | 115.1 Ų | 115.1 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | trans | -170.5 | 166 | 161.1 | -83.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 5 | A | 35.3 | Very low | 29.7 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 91% | 0.909 | 71% | 0.711 | S | S | * | * | trans | 63.6 | 56 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 6 | A | 30.5 | Very low | 29.8 | Very low | 103 Ų | 103 | 111.1 Ų | 111.1 | 85% | 0.851 | 68% | 0.678 | S | S | * | * | trans | -134.8 | 65.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 7 | D | 29.8 | Very low | 29.7 | Very low | 163 Ų | 163 | 107.2 Ų | 107.2 | 87% | 0.872 | 66% | 0.656 | S | S | * | * | trans | -153.2 | 162.9 | 158.3 | -146.1 | -34.6 | 0 | 0 | 0 | 110.7 | ||||
| 8 | G | 28.6 | Very low | 29.6 | Very low | 61 Ų | 61 | 112.7 Ų | 112.7 | 63% | 0.629 | 67% | 0.67 | S | S | * | * | trans | 109.4 | 43.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 9 | I | 30.8 | Very low | 29.5 | Very low | 117 Ų | 117 | 109.2 Ų | 109.2 | 60% | 0.6 | 65% | 0.649 | S | S | * | * | trans | -148.6 | 43.9 | 151.4 | -101.8 | 146.8 | 0 | 0 | 0 | 111.3 | R11 A245 | I9-R11 PolarHBondContact O-N 2.58Å; I9-A245 HydrophobicContact CG2-CB 4.48Å | ||
| 10 | E | 27.1 | Very low | 29.6 | Very low | 124 Ų | 124 | 107.5 Ų | 107.5 | 58% | 0.579 | 64% | 0.643 | S | S | * | * | trans | -73.6 | 75.8 | 170.4 | -163.1 | -162.8 | -153.9 | 0 | 0 | 111.4 | K12 K618 | E10-K12 PolarHBondContact O-N 3.04Å; E10-K618 IonicContact OE2-NZ 2.81Å; E10-K618 PolarHBondContact OE2-NZ 3Å | ||
| 11 | R | 30.6 | Very low | 29.6 | Very low | 130 Ų | 130 | 108.1 Ų | 108.1 | 49% | 0.491 | 65% | 0.647 | S | S | . | * | trans | -71.4 | 121.3 | 164.8 | -68.3 | -178 | 176.3 | -154.7 | -5.3 | 108.2 | I9 A273 G274 | I9-R11 PolarHBondContact O-N 2.58Å; R11-A273 PolarHBondContact NH1-O 3.46Å; R11-A273 PolarHBondContact NH2-O 3.43Å; R11-G274 PolarHBondContact NH2-O 2.9Å | ||
| 12 | K | 27.5 | Very low | 29.8 | Very low | 51 Ų | 51 | 102.8 Ų | 102.8 | 22% | 0.222 | 63% | 0.63 | C | S | . | * | trans | -54.6 | 150.3 | 171.4 | -63.9 | -170 | -161.6 | 64.8 | 0 | 110 | E10 G14 E653 F656 | E10-K12 PolarHBondContact O-N 3.04Å; K12-G14 VanDerWaalsContact C-N 3.34Å; K12-G14 PolarHBondContact O-N 3.14Å; K12-E653 HydrophobicContact CD-CB 4.22Å; K12-E653 HydrophobicContact CD-CG 3.75Å; K12-E653 WeakPolarHBondContact CD-OE2 3.04Å; K12-E653 VanDerWaalsContact CE-O 3.29Å; K12-E653 WeakPolarHBondContact CE-O 3.46Å; K12-E653 WeakPolarHBondContact CE-OE2 3.43Å; K12-E653 IonicContact NZ-OE2 3.47Å; K12-E653 PolarHBondContact NZ-OE2 2.78Å; K12-F656 HydrophobicContact CD-CD1 4.18Å | ||
| 13 | P | 28.9 | Very low | 29.7 | Very low | 93 Ų | 93 | 98.7 Ų | 98.7 | 60% | 0.604 | 61% | 0.607 | S | S | * | * | trans | -61.6 | 96.9 | 174.4 | 26.4 | -34.5 | 0 | 0 | 0 | 109.7 | T15 | P13-T15 PolarHBondContact O-N 2.81Š| ||
| 14 | G | 26 | Very low | 30.4 | Very low | 55 Ų | 55 | 96 Ų | 96 | 57% | 0.567 | 61% | 0.607 | S | S | * | * | trans | -55.3 | 129.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108 | K12 L16 | K12-G14 VanDerWaalsContact C-N 3.34Å; K12-G14 PolarHBondContact O-N 3.14Å; G14-L16 PolarHBondContact O-N 3.29Å | ||
| 15 | T | 26.5 | Very low | 31.6 | Very low | 131 Ų | 131 | 92.2 Ų | 92.2 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | trans | -52.9 | 107.8 | -170.7 | -47.1 | 0 | 0 | 0 | 0 | 110.5 | P13 S17 | P13-T15 PolarHBondContact O-N 2.81Å; T15-S17 PolarHBondContact O-N 2.76Å; T15-S17 VanDerWaalsContact O-N 3.09Å | ||
| 16 | L | 31 | Very low | 32.9 | Very low | 34 Ų | 34 | 88.6 Ų | 88.6 | 18% | 0.178 | 56% | 0.557 | C | S | . | * | trans | -53.5 | 122.7 | 171.4 | -95.5 | 80 | 0 | 0 | 0 | 107 | G14 E199 I200 | G14-L16 PolarHBondContact O-N 3.29Å; L16-E199 HydrophobicContact CD1-CG 4.4Å; L16-E199 HydrophobicContact CD2-CB 4.4Å; L16-E199 HydrophobicContact CD2-CG 4.23Å; L16-E199 HydrophobicContact CG-CG 4.36Å; L16-I200 HydrophobicContact CD2-CG1 4.45Å | ||
| 17 | S | 28.1 | Very low | 34.9 | Very low | 45 Ų | 45 | 84.3 Ų | 84.3 | 32% | 0.315 | 52% | 0.52 | S | S | . | . | trans | -54.9 | 145.4 | -165.4 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | T15 T19 R238 | T15-S17 PolarHBondContact O-N 2.76Å; T15-S17 VanDerWaalsContact O-N 3.09Å; S17-T19 PolarHBondContact O-N 2.86Å; S17-T19 PolarHBondContact O-OG1 2.72Å; S17-T19 VanDerWaalsContact O-OG1 3.06Å; S17-T19 WeakPolarHBondContact OG-CG2 3.25Å; S17-T19 PolarHBondContact OG-OG1 3.3Å; S17-R238 PolarHBondContact OG-NH1 3.37Å | ||
| 18 | K | 28.8 | Very low | 37.1 | Very low | 206 Ų | 206 | 79.8 Ų | 79.8 | 90% | 0.896 | 50% | 0.496 | S | S | * | . | trans | -69.4 | 72.4 | 161 | -72.7 | -170.1 | 173.8 | -172.8 | 0 | 110.4 | ||||
| 19 | T | 27.6 | Very low | 39.8 | Very low | 46 Ų | 46 | 79.3 Ų | 79.3 | 28% | 0.282 | 48% | 0.477 | S | S | . | . | trans | -87 | 130.3 | 174.1 | 17.6 | 0 | 0 | 0 | 0 | 109.7 | S17 F235 | S17-T19 PolarHBondContact O-N 2.86Å; S17-T19 PolarHBondContact O-OG1 2.72Å; S17-T19 VanDerWaalsContact O-OG1 3.06Å; S17-T19 WeakPolarHBondContact OG-CG2 3.25Å; S17-T19 PolarHBondContact OG-OG1 3.3Å; T19-F235 HydrophobicContact CG2-CZ 4.35Å; T19-F235 WeakPolarHBondContact OG1-CZ 3.48Å | ||
| 20 | S | 29.8 | Very low | 42.3 | Very low | 76 Ų | 76 | 78.7 Ų | 78.7 | 53% | 0.531 | 48% | 0.476 | S | S | . | . | S | Bend | trans | 62.1 | 68.8 | -178.1 | 44.9 | 0 | 0 | 0 | 0 | 118.4 | K192 | S20-K192 PolarHBondContact OG-NZ 3.48Š|
| 21 | V | 30.7 | Very low | 45.1 | Very low | 120 Ų | 120 | 75 Ų | 75 | 73% | 0.727 | 46% | 0.461 | S | S | * | . | trans | 46.3 | 96.9 | 139.1 | -167.7 | 0 | 0 | 0 | 0 | 118.8 | G23 K153 | V21-G23 PolarHBondContact O-N 2.75Å; V21-K153 PolarHBondContact O-NZ 3.39Å | ||
| 22 | S | 32.8 | Very low | 47.9 | Very low | 95 Ų | 95 | 68.9 Ų | 68.9 | 66% | 0.664 | 44% | 0.438 | S | S | * | . | trans | -70.3 | 54.1 | 165.7 | -50.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 23 | G | 34.9 | Very low | 50.8 | Low | 31 Ų | 31 | 68.3 Ų | 68.3 | 32% | 0.32 | 44% | 0.435 | S | S | . | . | trans | -65 | 156.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V21 A26 K153 | V21-G23 PolarHBondContact O-N 2.75Å; G23-A26 WeakPolarHBondContact O-CB 3.4Å; G23-A26 PolarHBondContact O-N 2.82Å; G23-K153 PolarHBondContact O-NZ 3.1Å | ||
| 24 | A | 43.7 | Very low | 53.5 | Low | 106 Ų | 106 | 69.3 Ų | 69.3 | 88% | 0.876 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.2 | 143.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A26 | A24-A26 VanDerWaalsContact C-N 3.29Å; A24-A26 PolarHBondContact O-N 3.32Å |
| 25 | G | 55.2 | Low | 56.3 | Low | 40 Ų | 40 | 67.8 Ų | 67.8 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 8.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K153 V154 | G25-K153 CarbonylContact O-C 3.56Å; G25-V154 WeakPolarHBondContact O-CG2 3.37Å; G25-V154 PolarHBondContact O-N 3.48Å |
| 26 | A | 61.4 | Low | 59.2 | Low | 34 Ų | 34 | 61.8 Ų | 61.8 | 28% | 0.281 | 38% | 0.375 | S | S | . | . | trans | -76.4 | 137.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110 | G23 A24 K153 T157 | G23-A26 WeakPolarHBondContact O-CB 3.4Å; G23-A26 PolarHBondContact O-N 2.82Å; A24-A26 VanDerWaalsContact C-N 3.29Å; A24-A26 PolarHBondContact O-N 3.32Å; A26-K153 HydrophobicContact CB-CD 4.5Å; A26-T157 HydrophobicContact CB-CG2 4.29Å | ||
| 27 | V | 72.2 | Confident | 61.4 | Low | 13 Ų | 13 | 64.3 Ų | 64.3 | 8% | 0.079 | 39% | 0.387 | C | S | . | . | trans | -103.4 | 135.4 | 165.3 | -161.3 | 0 | 0 | 0 | 0 | 108.2 | V31 F32 V154 T157 | V27-V31 HydrophobicContact CG1-CB 3.98Å; V27-V31 HydrophobicContact CG1-CG1 3.64Å; V27-F32 HydrophobicContact CB-CE2 4.3Å; V27-F32 HydrophobicContact CG1-CD2 3.67Å; V27-F32 HydrophobicContact CG1-CE2 3.6Å; V27-V154 HydrophobicContact CG2-CG1 4.02Å; V27-T157 PolarHBondContact N-OG1 3.48Å; V27-T157 WeakPolarHBondContact O-CB 3.23Å | ||
| 28 | D | 77 | Confident | 63.2 | Low | 67 Ų | 67 | 63 Ų | 63 | 36% | 0.358 | 38% | 0.378 | S | S | . | . | trans | -117 | 174.2 | 178 | 56.7 | 33.2 | 0 | 0 | 0 | 111.9 | D30 V31 F32 | D28-D30 PolarHBondContact O-N 3.43Å; D28-D30 PolarHBondContact OD1-N 3.34Å; D28-V31 PolarHBondContact O-N 2.85Å; D28-V31 WeakPolarHBondContact OD1-CB 3.37Å; D28-V31 WeakPolarHBondContact OD1-CG2 3.38Å; D28-V31 PolarHBondContact OD1-N 2.78Å; D28-F32 PolarHBondContact O-N 2.87Å; D28-F32 VanDerWaalsContact O-N 3.09Å | ||
| 29 | E | 84.5 | Confident | 64.7 | Low | 51 Ų | 51 | 57.5 Ų | 57.5 | 24% | 0.238 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.4 | -33.5 | 177.9 | -74.1 | 169.7 | -141.8 | 0 | 0 | 112.4 | F32 R33 V161 R164 F165 | E29-F32 WeakPolarHBondContact O-CB 3.41Å; E29-F32 PolarHBondContact O-N 2.86Å; E29-R33 WeakPolarHBondContact O-CB 3.29Å; E29-R33 VanDerWaalsContact O-CG 3.28Å; E29-R33 WeakPolarHBondContact O-CG 3.32Å; E29-R33 PolarHBondContact O-N 3.05Å; E29-V161 HydrophobicContact CB-CG1 4.45Å; E29-V161 HydrophobicContact CG-CG1 3.85Å; E29-V161 HydrophobicContact CG-CG2 4.41Å; E29-R164 WeakPolarHBondContact OE1-CD 3.41Å; E29-R164 IonicContact OE1-CZ 3.68Å; E29-R164 IonicContact OE1-NE 2.74Å; E29-R164 IonicContact OE1-NH1 3.45Å; E29-R164 PolarHBondContact OE1-NH1 2.7Å; E29-F165 HydrophobicContact CB-CE2 4.33Å; E29-F165 HydrophobicContact CG-CE2 4.07Å |
| 30 | D | 83.2 | Confident | 66.6 | Low | 105 Ų | 105 | 58.4 Ų | 58.4 | 56% | 0.561 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.4 | -41.4 | 178.2 | -73.9 | -43.8 | 0 | 0 | 0 | 111 | D28 F32 R33 Q34 | D28-D30 PolarHBondContact O-N 3.43Å; D28-D30 PolarHBondContact OD1-N 3.34Å; D30-F32 VanDerWaalsContact C-N 3.33Å; D30-R33 PolarHBondContact O-N 2.85Å; D30-Q34 VanDerWaalsContact C-NE2 3.31Å; D30-Q34 WeakPolarHBondContact O-CB 3.49Å; D30-Q34 WeakPolarHBondContact O-CG 3.38Å; D30-Q34 PolarHBondContact O-N 3.3Å; D30-Q34 PolarHBondContact O-NE2 2.91Å |
| 31 | V | 86.2 | Confident | 68.2 | Low | 47 Ų | 47 | 60 Ų | 60 | 29% | 0.285 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.8 | -33.5 | 174 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | V27 D28 S35 | V27-V31 HydrophobicContact CG1-CB 3.98Å; V27-V31 HydrophobicContact CG1-CG1 3.64Å; D28-V31 PolarHBondContact O-N 2.85Å; D28-V31 WeakPolarHBondContact OD1-CB 3.37Å; D28-V31 WeakPolarHBondContact OD1-CG2 3.38Å; D28-V31 PolarHBondContact OD1-N 2.78Å; V31-S35 WeakPolarHBondContact O-CB 3.31Å; V31-S35 PolarHBondContact O-N 3.46Å; V31-S35 VanDerWaalsContact O-N 3.17Å; V31-S35 PolarHBondContact O-OG 3.02Å |
| 32 | F | 90.4 | Very high | 70.2 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.7 | -53 | 170.3 | -93.1 | -125.8 | 0 | 0 | 0 | 111.1 | V27 D28 E29 D30 Q34 S35 F36 C119 I120 A123 S158 V161 A162 F165 | V27-F32 HydrophobicContact CB-CE2 4.3Å; V27-F32 HydrophobicContact CG1-CD2 3.67Å; V27-F32 HydrophobicContact CG1-CE2 3.6Å; D28-F32 PolarHBondContact O-N 2.87Å; D28-F32 VanDerWaalsContact O-N 3.09Å; E29-F32 WeakPolarHBondContact O-CB 3.41Å; E29-F32 PolarHBondContact O-N 2.86Å; D30-F32 VanDerWaalsContact C-N 3.33Å; F32-Q34 PolarHBondContact O-N 3.35Å; F32-S35 CarbonylContact O-C 3.27Å; F32-S35 WeakPolarHBondContact O-CA 3.49Å; F32-S35 PolarHBondContact O-N 3.31Å; F32-F36 HydrophobicContact CB-CE1 3.95Å; F32-F36 HydrophobicContact CB-CZ 4.43Å; F32-F36 HydrophobicContact CD1-CE1 4.09Å; F32-F36 HydrophobicContact CG-CE1 4.48Å; F32-F36 WeakPolarHBondContact O-CD1 3.35Å; F32-F36 WeakPolarHBondContact O-CG 3.06Å; F32-F36 PolarHBondContact O-N 3.01Å; F32-C119 HydrophobicContact CE1-CB 4.08Å; F32-C119 WeakPolarHBondContact CE1-O 3.45Å; F32-C119 HydrophobicContact CZ-CB 3.76Å; F32-I120 HydrophobicContact CD1-CB 4.41Å; F32-I120 HydrophobicContact CD1-CG1 3.8Å; F32-I120 HydrophobicContact CD2-CD1 4.45Å; F32-I120 HydrophobicContact CD2-CG1 3.82Å; F32-I120 HydrophobicContact CE1-CB 4.41Å; F32-I120 HydrophobicContact CE1-CG1 3.8Å; F32-I120 HydrophobicContact CE2-CD1 4.48Å; F32-I120 HydrophobicContact CE2-CG1 3.81Å; F32-I120 HydrophobicContact CG-CG1 3.81Å; F32-I120 HydrophobicContact CZ-CG1 3.8Å; F32-A123 HydrophobicContact CD1-CB 3.58Å; F32-A123 HydrophobicContact CE1-CB 3.76Å; F32-S158 WeakPolarHBondContact CZ-O 3.35Å; F32-V161 HydrophobicContact CB-CG1 3.94Å; F32-V161 HydrophobicContact CD1-CB 4.42Å; F32-V161 HydrophobicContact CD1-CG1 3.53Å; F32-V161 HydrophobicContact CD2-CB 4.12Å; F32-V161 HydrophobicContact CD2-CG1 3.54Å; F32-V161 HydrophobicContact CE1-CB 4.22Å; F32-V161 HydrophobicContact CE1-CG1 3.81Å; F32-V161 HydrophobicContact CE2-CB 3.9Å; F32-V161 HydrophobicContact CE2-CG1 3.81Å; F32-V161 HydrophobicContact CG-CB 4.38Å; F32-V161 HydrophobicContact CG-CG1 3.39Å; F32-V161 HydrophobicContact CZ-CB 3.97Å; F32-V161 HydrophobicContact CZ-CG1 3.95Å; F32-A162 HydrophobicContact CE1-CB 4.16Å; F32-F165 HydrophobicContact CB-CE2 4.03Å; F32-F165 HydrophobicContact CD1-CD2 4.32Å; F32-F165 HydrophobicContact CD1-CE2 4.35Å |
| 33 | R | 88.8 | Confident | 72.3 | Confident | 40 Ų | 40 | 56 Ų | 56 | 15% | 0.151 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.3 | -31.5 | 178.2 | -71.1 | 178.4 | -172.5 | -68.7 | -2 | 112.9 | E29 D30 S35 F36 F165 P808 | E29-R33 WeakPolarHBondContact O-CB 3.29Å; E29-R33 VanDerWaalsContact O-CG 3.28Å; E29-R33 WeakPolarHBondContact O-CG 3.32Å; E29-R33 PolarHBondContact O-N 3.05Å; D30-R33 PolarHBondContact O-N 2.85Å; R33-S35 VanDerWaalsContact C-N 3.35Å; R33-F36 HydrophobicContact CG-CE2 4.31Å; R33-F165 HydrophobicContact CG-CZ 3.85Å; R33-F165 VanDerWaalsContact CZ-CZ 3.46Å; R33-P808 HydrophobicContact CB-CG 3.89Å; R33-P808 WeakPolarHBondContact O-CD 3.37Å |
| 34 | Q | 85.5 | Confident | 74.4 | Confident | 113 Ų | 113 | 55.3 Ų | 55.3 | 53% | 0.528 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.6 | -22.8 | 171.7 | -75.7 | 166.2 | 69.3 | 0 | 0 | 113.9 | D30 F32 L807 | D30-Q34 VanDerWaalsContact C-NE2 3.31Å; D30-Q34 WeakPolarHBondContact O-CB 3.49Å; D30-Q34 WeakPolarHBondContact O-CG 3.38Å; D30-Q34 PolarHBondContact O-N 3.3Å; D30-Q34 PolarHBondContact O-NE2 2.91Å; F32-Q34 PolarHBondContact O-N 3.35Å; Q34-L807 HydrophobicContact CG-CD1 4.16Å |
| 35 | S | 85 | Confident | 76.1 | Confident | 24 Ų | 24 | 54.7 Ų | 54.7 | 17% | 0.168 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -99.4 | -13 | -177.9 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | V31 F32 R33 I37 R79 R116 | V31-S35 WeakPolarHBondContact O-CB 3.31Å; V31-S35 PolarHBondContact O-N 3.46Å; V31-S35 VanDerWaalsContact O-N 3.17Å; V31-S35 PolarHBondContact O-OG 3.02Å; F32-S35 CarbonylContact O-C 3.27Å; F32-S35 WeakPolarHBondContact O-CA 3.49Å; F32-S35 PolarHBondContact O-N 3.31Å; R33-S35 VanDerWaalsContact C-N 3.35Å; S35-I37 PolarHBondContact O-N 3.42Å; S35-R79 VanDerWaalsContact O-CZ 3.31Å; S35-R79 PolarHBondContact O-NE 3.1Å; S35-R79 VanDerWaalsContact O-NE 3.14Å; S35-R79 PolarHBondContact O-NH2 3.49Å; S35-R116 PolarHBondContact OG-NH2 2.89Å |
| 36 | F | 85.9 | Confident | 77.6 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -55.4 | -50.3 | -174.1 | -82.1 | 1 | 0 | 0 | 0 | 113.8 | F32 R33 P38 R79 I120 A123 F124 F165 | F32-F36 HydrophobicContact CB-CE1 3.95Å; F32-F36 HydrophobicContact CB-CZ 4.43Å; F32-F36 HydrophobicContact CD1-CE1 4.09Å; F32-F36 HydrophobicContact CG-CE1 4.48Å; F32-F36 WeakPolarHBondContact O-CD1 3.35Å; F32-F36 WeakPolarHBondContact O-CG 3.06Å; F32-F36 PolarHBondContact O-N 3.01Å; R33-F36 HydrophobicContact CG-CE2 4.31Å; F36-P38 WeakPolarHBondContact O-CD 3.33Å; F36-R79 WeakPolarHBondContact O-CB 3.35Å; F36-R79 WeakPolarHBondContact O-CD 3.46Å; F36-R79 PolarHBondContact O-NE 3.49Å; F36-I120 HydrophobicContact CD1-CG2 4.07Å; F36-A123 HydrophobicContact CE1-CB 3.81Å; F36-A123 HydrophobicContact CZ-CB 3.94Å; F36-F124 HydrophobicContact CB-CB 4.44Å; F36-F124 HydrophobicContact CB-CD2 3.6Å; F36-F124 HydrophobicContact CB-CE2 4.15Å; F36-F124 HydrophobicContact CB-CG 4.2Å; F36-F124 HydrophobicContact CD1-CB 3.79Å; F36-F124 HydrophobicContact CD1-CD2 4.34Å; F36-F124 HydrophobicContact CD1-CG 4.45Å; F36-F124 HydrophobicContact CD2-CB 4.47Å; F36-F124 AromaticContact CD2-CD2 3.75Å; F36-F124 HydrophobicContact CD2-CD2 3.75Å; F36-F124 HydrophobicContact CE1-CB 4.06Å; F36-F124 HydrophobicContact CE2-CD2 4.47Å; F36-F124 HydrophobicContact CG-CB 4Å; F36-F124 AromaticContact CG-CD2 3.67Å; F36-F124 HydrophobicContact CG-CD2 3.67Å; F36-F124 HydrophobicContact CG-CG 4.19Å; F36-F165 HydrophobicContact CE2-CD1 4.2Å; F36-F165 AromaticContact CE2-CE1 3.56Å; F36-F165 HydrophobicContact CE2-CE1 3.56Å; F36-F165 AromaticContact CE2-CZ 3.86Å; F36-F165 HydrophobicContact CE2-CZ 3.86Å; F36-F165 AromaticContact CZ-CD1 3.8Å; F36-F165 HydrophobicContact CZ-CD1 3.8Å; F36-F165 HydrophobicContact CZ-CD2 4.25Å; F36-F165 AromaticContact CZ-CE1 3.43Å; F36-F165 HydrophobicContact CZ-CE1 3.43Å; F36-F165 VanDerWaalsContact CZ-CE1 3.43Å; F36-F165 AromaticContact CZ-CE2 3.92Å; F36-F165 HydrophobicContact CZ-CE2 3.92Å; F36-F165 HydrophobicContact CZ-CG 4.21Å; F36-F165 AromaticContact CZ-CZ 3.5Å; F36-F165 HydrophobicContact CZ-CZ 3.5Å |
| 37 | I | 77.5 | Confident | 78.8 | Confident | 87 Ų | 87 | 53.9 Ų | 53.9 | 45% | 0.446 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -101.6 | 99.1 | 176.2 | -53.8 | 178.4 | 0 | 0 | 0 | 108.2 | S35 A83 F124 | S35-I37 PolarHBondContact O-N 3.42Å; I37-A83 HydrophobicContact CD1-CB 4.3Å; I37-A83 HydrophobicContact CG1-CB 3.99Å; I37-A83 HydrophobicContact CG2-CB 4.07Å; I37-F124 HydrophobicContact CG1-CE2 4.49Å |
| 38 | P | 67 | Low | 79.5 | Confident | 19 Ų | 19 | 61.1 Ų | 61.1 | 12% | 0.123 | 35% | 0.346 | C | S | . | . | trans | -68.2 | 158 | 172.9 | 27.6 | -30.7 | 0 | 0 | 0 | 110.4 | F36 M40 K76 R79 A80 | F36-P38 WeakPolarHBondContact O-CD 3.33Å; P38-M40 PolarHBondContact O-N 2.94Å; P38-K76 HydrophobicContact CB-CB 3.98Å; P38-K76 HydrophobicContact CB-CG 4.21Å; P38-K76 HydrophobicContact CG-CB 3.87Å; P38-K76 HydrophobicContact CG-CG 4.49Å; P38-K76 WeakPolarHBondContact CG-O 3.49Å; P38-R79 HydrophobicContact CG-CB 4.26Å; P38-A80 HydrophobicContact CG-CB 4.3Å | ||
| 39 | S | 60.3 | Low | 80 | Confident | 90 Ų | 90 | 60.8 Ų | 60.8 | 63% | 0.629 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -70.3 | 17.9 | -171.4 | 58.2 | 0 | 0 | 0 | 0 | 116.1 | ||
| 40 | M | 65.9 | Low | 80.3 | Confident | 64 Ų | 64 | 58.4 Ų | 58.4 | 32% | 0.315 | 33% | 0.331 | S | S | . | . | trans | -103.1 | 119.7 | -178 | -62 | -170.6 | -65.9 | 0 | 0 | 110.4 | P38 I42 K76 T77 A80 | P38-M40 PolarHBondContact O-N 2.94Å; M40-I42 HydrophobicContact CB-CD1 4.25Å; M40-I42 HydrophobicContact CB-CG1 4.28Å; M40-I42 PolarHBondContact O-N 3.12Å; M40-I42 HydrophobicContact SD-CD1 4.45Å; M40-K76 HydrophobicContact CE-CB 3.62Å; M40-T77 WeakPolarHBondContact CE-OG1 3.26Å; M40-A80 HydrophobicContact CB-CB 4.31Å; M40-A80 VanDerWaalsContact O-CB 3.27Å; M40-A80 WeakPolarHBondContact O-CB 3.3Å | ||
| 41 | S | 63.3 | Low | 80.7 | Confident | 110 Ų | 110 | 55.6 Ų | 55.6 | 77% | 0.769 | 32% | 0.318 | S | S | * | . | trans | -87.2 | 78.4 | 173.1 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 42 | I | 73.1 | Confident | 80.9 | Confident | 50 Ų | 50 | 58.7 Ų | 58.7 | 26% | 0.256 | 33% | 0.329 | S | S | . | . | trans | -103.6 | 112.9 | 173.3 | -57.7 | 171.4 | 0 | 0 | 0 | 107.9 | M40 I53 T77 A80 I81 N84 | M40-I42 HydrophobicContact CB-CD1 4.25Å; M40-I42 HydrophobicContact CB-CG1 4.28Å; M40-I42 PolarHBondContact O-N 3.12Å; M40-I42 HydrophobicContact SD-CD1 4.45Å; I42-I53 HydrophobicContact CG2-CD1 4.35Å; I42-T77 HydrophobicContact CD1-CG2 3.59Å; I42-A80 HydrophobicContact CB-CB 4.41Å; I42-I81 HydrophobicContact CB-CG1 4.14Å; I42-I81 HydrophobicContact CG2-CD1 4.43Å; I42-I81 HydrophobicContact CG2-CG1 3.71Å; I42-I81 WeakPolarHBondContact O-CA 3.27Å; I42-N84 PolarHBondContact N-ND2 3.28Å; I42-N84 WeakPolarHBondContact O-CB 3.37Å; I42-N84 PolarHBondContact O-ND2 3.26Å | ||
| 43 | T | 77.7 | Confident | 81 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | trans | -106.4 | 149 | 172.5 | 44.2 | 0 | 0 | 0 | 0 | 109.3 | N84 | T43-N84 HydrophobicContact CG2-CB 3.84Š| ||
| 44 | A | 78.7 | Confident | 81.2 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 12% | 0.124 | 33% | 0.325 | C | S | . | . | trans | -93.3 | 138.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | L50 I53 Y89 | A44-L50 HydrophobicContact CB-CB 3.71Å; A44-L50 HydrophobicContact CB-CD1 4.15Å; A44-L50 HydrophobicContact CB-CG 4.49Å; A44-I53 HydrophobicContact CB-CD1 4.2Å; A44-Y89 HydrophobicContact CB-CE2 4.37Å; A44-Y89 PolarHBondContact O-OH 3.48Å | ||
| 45 | S | 80.5 | Confident | 81.5 | Confident | 94 Ų | 94 | 55 Ų | 55 | 66% | 0.657 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -88.3 | -21.5 | 174.7 | -36.1 | 0 | 0 | 0 | 0 | 111.7 | E49 Y89 | S45-E49 WeakPolarHBondContact CA-OE2 3.37Å; S45-E49 WeakPolarHBondContact CB-OE2 3.46Å; S45-E49 PolarHBondContact N-OE2 2.82Å; S45-E49 PolarHBondContact OG-OE2 3.11Å; S45-Y89 PolarHBondContact O-OH 2.89Å |
| 46 | S | 86.1 | Confident | 81.8 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -152.5 | 160.9 | -178.6 | 67.9 | 0 | 0 | 0 | 0 | 111.5 | K48 E49 L50 | S46-K48 PolarHBondContact O-N 3.47Å; S46-E49 PolarHBondContact O-N 2.74Å; S46-E49 VanDerWaalsContact O-N 3.15Å; S46-E49 PolarHBondContact OG-N 2.78Å; S46-L50 PolarHBondContact O-N 3.26Å |
| 47 | G | 85.5 | Confident | 82.2 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 8% | 0.082 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62 | -25.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T51 E91 | G47-T51 WeakPolarHBondContact O-CB 3.46Å; G47-T51 PolarHBondContact O-N 3.15Å; G47-T51 PolarHBondContact O-OG1 3.42Å; G47-E91 WeakPolarHBondContact CA-OE1 3.47Å |
| 48 | K | 87.1 | Confident | 82.9 | Confident | 166 Ų | 166 | 60.4 Ų | 60.4 | 72% | 0.722 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.7 | -50.6 | 170.4 | -69.3 | -173.7 | 177.9 | -177.2 | 0 | 111.6 | S46 L50 T51 E52 | S46-K48 PolarHBondContact O-N 3.47Å; K48-L50 VanDerWaalsContact C-N 3.29Å; K48-L50 PolarHBondContact O-N 3.4Å; K48-T51 WeakPolarHBondContact O-CA 3.3Å; K48-T51 VanDerWaalsContact O-CB 3.3Å; K48-T51 WeakPolarHBondContact O-CB 3.46Å; K48-T51 PolarHBondContact O-N 2.91Å; K48-T51 VanDerWaalsContact O-N 3.09Å; K48-E52 PolarHBondContact O-N 3.31Å |
| 49 | E | 88.8 | Confident | 84.1 | Confident | 60 Ų | 60 | 64.2 Ų | 64.2 | 28% | 0.28 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 176.2 | -172.6 | -179.6 | -169.8 | 0 | 0 | 111 | S45 S46 T51 E52 I53 | S45-E49 WeakPolarHBondContact CA-OE2 3.37Å; S45-E49 WeakPolarHBondContact CB-OE2 3.46Å; S45-E49 PolarHBondContact N-OE2 2.82Å; S45-E49 PolarHBondContact OG-OE2 3.11Å; S46-E49 PolarHBondContact O-N 2.74Å; S46-E49 VanDerWaalsContact O-N 3.15Å; S46-E49 PolarHBondContact OG-N 2.78Å; E49-T51 VanDerWaalsContact C-N 3.32Å; E49-T51 PolarHBondContact O-N 3.29Å; E49-E52 PolarHBondContact O-N 3.11Å; E49-I53 HydrophobicContact CG-CD1 3.95Å; E49-I53 HydrophobicContact CG-CG1 4.36Å; E49-I53 VanDerWaalsContact O-CG1 3.23Å; E49-I53 WeakPolarHBondContact O-CG1 3.35Å; E49-I53 PolarHBondContact O-N 3.42Å |
| 50 | L | 90.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 172.6 | -178 | 61.7 | 0 | 0 | 0 | 111.7 | A44 S46 K48 E52 I53 I54 I81 A86 Y89 F92 L95 | A44-L50 HydrophobicContact CB-CB 3.71Å; A44-L50 HydrophobicContact CB-CD1 4.15Å; A44-L50 HydrophobicContact CB-CG 4.49Å; S46-L50 PolarHBondContact O-N 3.26Å; K48-L50 VanDerWaalsContact C-N 3.29Å; K48-L50 PolarHBondContact O-N 3.4Å; L50-E52 PolarHBondContact O-N 3.23Å; L50-I53 PolarHBondContact O-N 2.79Å; L50-I54 HydrophobicContact CD1-CG1 4.15Å; L50-I54 HydrophobicContact CG-CG1 4.43Å; L50-I54 WeakPolarHBondContact O-CB 3.32Å; L50-I54 VanDerWaalsContact O-CG1 3.27Å; L50-I54 WeakPolarHBondContact O-CG1 3.35Å; L50-I54 PolarHBondContact O-N 3.16Å; L50-I81 HydrophobicContact CD1-CG2 3.55Å; L50-A86 HydrophobicContact CD1-CB 4.16Å; L50-Y89 HydrophobicContact CD2-CD2 3.86Å; L50-Y89 HydrophobicContact CD2-CG 3.82Å; L50-F92 HydrophobicContact CD1-CD2 4.38Å; L50-F92 HydrophobicContact CD2-CB 4.02Å; L50-F92 HydrophobicContact CD2-CD2 4.27Å; L50-L95 HydrophobicContact CD2-CD1 4.35Å; L50-L95 HydrophobicContact CG-CD1 4.08Å |
| 51 | T | 90.8 | Very high | 86.8 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 28% | 0.282 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 174.8 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | G47 K48 E49 I54 N55 L95 | G47-T51 WeakPolarHBondContact O-CB 3.46Å; G47-T51 PolarHBondContact O-N 3.15Å; G47-T51 PolarHBondContact O-OG1 3.42Å; K48-T51 WeakPolarHBondContact O-CA 3.3Å; K48-T51 VanDerWaalsContact O-CB 3.3Å; K48-T51 WeakPolarHBondContact O-CB 3.46Å; K48-T51 PolarHBondContact O-N 2.91Å; K48-T51 VanDerWaalsContact O-N 3.09Å; E49-T51 VanDerWaalsContact C-N 3.32Å; E49-T51 PolarHBondContact O-N 3.29Å; T51-I54 PolarHBondContact O-N 3.45Å; T51-N55 WeakPolarHBondContact O-CB 3.06Å; T51-N55 VanDerWaalsContact O-CG 3.28Å; T51-N55 PolarHBondContact O-N 2.99Å; T51-N55 PolarHBondContact O-ND2 2.88Å; T51-L95 HydrophobicContact CG2-CD2 3.97Å |
| 52 | E | 90.9 | Very high | 88 | Confident | 112 Ų | 112 | 56.7 Ų | 56.7 | 52% | 0.523 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.8 | -34.8 | 177.8 | -70.2 | 171 | -154.6 | 0 | 0 | 113.5 | K48 E49 L50 R56 | K48-E52 PolarHBondContact O-N 3.31Å; E49-E52 PolarHBondContact O-N 3.11Å; L50-E52 PolarHBondContact O-N 3.23Å; E52-R56 WeakPolarHBondContact O-CG 3.24Å; E52-R56 PolarHBondContact O-N 3.23Å; E52-R56 VanDerWaalsContact O-N 3.17Å; E52-R56 PolarHBondContact O-NE 3.38Å |
| 53 | I | 91.4 | Very high | 88.4 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.051 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.6 | -41.5 | 174.9 | -55.1 | 156.8 | 0 | 0 | 0 | 110.3 | I42 A44 E49 L50 R56 I57 T77 I81 | I42-I53 HydrophobicContact CG2-CD1 4.35Å; A44-I53 HydrophobicContact CB-CD1 4.2Å; E49-I53 HydrophobicContact CG-CD1 3.95Å; E49-I53 HydrophobicContact CG-CG1 4.36Å; E49-I53 VanDerWaalsContact O-CG1 3.23Å; E49-I53 WeakPolarHBondContact O-CG1 3.35Å; E49-I53 PolarHBondContact O-N 3.42Å; L50-I53 PolarHBondContact O-N 2.79Å; I53-R56 VanDerWaalsContact CG1-NH2 3.3Å; I53-R56 PolarHBondContact O-N 2.96Å; I53-I57 HydrophobicContact CG2-CD1 4.17Å; I53-I57 WeakPolarHBondContact O-CG1 3.44Å; I53-I57 PolarHBondContact O-N 3.23Å; I53-T77 HydrophobicContact CG2-CG2 4.31Å; I53-I81 HydrophobicContact CB-CD1 4.22Å; I53-I81 HydrophobicContact CG2-CD1 3.28Å; I53-I81 HydrophobicContact CG2-CG1 4.22Å |
| 54 | I | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 177.2 | -65.4 | -70.2 | 0 | 0 | 0 | 111.4 | L50 T51 I57 K58 L78 F92 L95 L99 | L50-I54 HydrophobicContact CD1-CG1 4.15Å; L50-I54 HydrophobicContact CG-CG1 4.43Å; L50-I54 WeakPolarHBondContact O-CB 3.32Å; L50-I54 VanDerWaalsContact O-CG1 3.27Å; L50-I54 WeakPolarHBondContact O-CG1 3.35Å; L50-I54 PolarHBondContact O-N 3.16Å; T51-I54 PolarHBondContact O-N 3.45Å; I54-I57 HydrophobicContact CD1-CD1 4.12Å; I54-I57 WeakPolarHBondContact O-CB 3.2Å; I54-I57 PolarHBondContact O-N 3.02Å; I54-K58 WeakPolarHBondContact O-CB 3.28Å; I54-K58 PolarHBondContact O-N 2.99Å; I54-L78 HydrophobicContact CD1-CD1 3.55Å; I54-F92 HydrophobicContact CD1-CE2 4.1Å; I54-L95 HydrophobicContact CB-CB 4.39Å; I54-L95 HydrophobicContact CG1-CB 4.32Å; I54-L95 HydrophobicContact CG1-CD1 4.34Å; I54-L95 HydrophobicContact CG2-CB 4Å; I54-L95 HydrophobicContact CG2-CD2 4.43Å; I54-L99 HydrophobicContact CD1-CD1 4.19Å; I54-L99 HydrophobicContact CG2-CD1 4.02Å; I54-L99 HydrophobicContact CG2-CD2 4.05Å; I54-L99 HydrophobicContact CG2-CG 3.99Å |
| 55 | N | 92.3 | Very high | 88.5 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 35% | 0.353 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 173.2 | -72.9 | -25 | 0 | 0 | 0 | 111.3 | T51 I57 K58 D59 | T51-N55 WeakPolarHBondContact O-CB 3.06Å; T51-N55 VanDerWaalsContact O-CG 3.28Å; T51-N55 PolarHBondContact O-N 2.99Å; T51-N55 PolarHBondContact O-ND2 2.88Å; N55-I57 VanDerWaalsContact C-N 3.3Å; N55-I57 PolarHBondContact O-N 3.05Å; N55-K58 WeakPolarHBondContact O-CA 3.22Å; N55-K58 VanDerWaalsContact O-CB 3.28Å; N55-K58 WeakPolarHBondContact O-CB 3.44Å; N55-K58 PolarHBondContact O-N 3.22Å; N55-D59 PolarHBondContact O-N 2.69Å |
| 56 | R | 92.1 | Very high | 88.6 | Confident | 147 Ų | 147 | 60.4 Ų | 60.4 | 56% | 0.555 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.1 | -36.4 | 173.7 | -76.4 | 178.6 | -73.3 | 168.7 | -8.9 | 113.5 | E52 I53 A60 | E52-R56 WeakPolarHBondContact O-CG 3.24Å; E52-R56 PolarHBondContact O-N 3.23Å; E52-R56 VanDerWaalsContact O-N 3.17Å; E52-R56 PolarHBondContact O-NE 3.38Å; I53-R56 VanDerWaalsContact CG1-NH2 3.3Å; I53-R56 PolarHBondContact O-N 2.96Å; R56-A60 VanDerWaalsContact O-CB 3.31Å; R56-A60 WeakPolarHBondContact O-CB 3.47Å; R56-A60 PolarHBondContact O-N 3.07Å; R56-A60 VanDerWaalsContact O-N 3.11Å |
| 57 | I | 93.3 | Very high | 88.7 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 171 | -71.6 | 159.4 | 0 | 0 | 0 | 110.2 | I53 I54 N55 D59 A60 L61 A74 T77 L78 I81 L99 | I53-I57 HydrophobicContact CG2-CD1 4.17Å; I53-I57 WeakPolarHBondContact O-CG1 3.44Å; I53-I57 PolarHBondContact O-N 3.23Å; I54-I57 HydrophobicContact CD1-CD1 4.12Å; I54-I57 WeakPolarHBondContact O-CB 3.2Å; I54-I57 PolarHBondContact O-N 3.02Å; N55-I57 VanDerWaalsContact C-N 3.3Å; N55-I57 PolarHBondContact O-N 3.05Å; I57-D59 PolarHBondContact O-N 2.8Å; I57-A60 PolarHBondContact O-N 2.89Å; I57-L61 HydrophobicContact CG2-CD1 3.69Å; I57-L61 HydrophobicContact CG2-CG 4.22Å; I57-L61 WeakPolarHBondContact O-CB 3.5Å; I57-L61 VanDerWaalsContact O-CG 3.23Å; I57-L61 WeakPolarHBondContact O-CG 3.44Å; I57-L61 PolarHBondContact O-N 3.04Å; I57-A74 HydrophobicContact CG2-CB 4.39Å; I57-T77 HydrophobicContact CD1-CG2 4.08Å; I57-T77 HydrophobicContact CG1-CG2 4.13Å; I57-L78 HydrophobicContact CD1-CB 4.03Å; I57-L78 HydrophobicContact CD1-CD1 4.22Å; I57-L78 HydrophobicContact CG2-CB 4.38Å; I57-I81 HydrophobicContact CD1-CD1 3.53Å; I57-L99 HydrophobicContact CG2-CD1 4.02Å; I57-L99 HydrophobicContact CG2-CD2 4.06Å |
| 58 | K | 93.4 | Very high | 88.9 | Confident | 77 Ų | 77 | 65.4 Ų | 65.4 | 34% | 0.335 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.8 | -53.6 | 179.8 | -168.7 | -172.1 | 174.3 | -161.8 | 0 | 110.8 | I54 N55 A60 L61 S62 T98 L99 | I54-K58 WeakPolarHBondContact O-CB 3.28Å; I54-K58 PolarHBondContact O-N 2.99Å; N55-K58 WeakPolarHBondContact O-CA 3.22Å; N55-K58 VanDerWaalsContact O-CB 3.28Å; N55-K58 WeakPolarHBondContact O-CB 3.44Å; N55-K58 PolarHBondContact O-N 3.22Å; K58-A60 VanDerWaalsContact C-N 3.33Å; K58-A60 PolarHBondContact O-N 2.92Å; K58-L61 PolarHBondContact O-N 3.4Å; K58-L61 VanDerWaalsContact O-N 3.12Å; K58-S62 PolarHBondContact O-N 3.19Å; K58-S62 PolarHBondContact O-OG 3.15Å; K58-T98 WeakPolarHBondContact CE-O 3.28Å; K58-L99 HydrophobicContact CB-CD2 3.49Å; K58-L99 VanDerWaalsContact CB-CD2 3.49Å; K58-L99 HydrophobicContact CG-CD2 3.96Å |
| 59 | D | 91.4 | Very high | 89.2 | Confident | 99 Ų | 99 | 63.3 Ų | 63.3 | 53% | 0.529 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | -177.4 | -59.8 | -23.7 | 0 | 0 | 0 | 111.7 | N55 I57 G63 | N55-D59 PolarHBondContact O-N 2.69Å; I57-D59 PolarHBondContact O-N 2.8Å; D59-G63 WeakPolarHBondContact O-CA 3.48Å; D59-G63 PolarHBondContact O-N 3.36Å |
| 60 | A | 91.7 | Very high | 89.3 | Confident | 33 Ų | 33 | 66 Ų | 66 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R56 I57 K58 G63 R71 A74 | R56-A60 VanDerWaalsContact O-CB 3.31Å; R56-A60 WeakPolarHBondContact O-CB 3.47Å; R56-A60 PolarHBondContact O-N 3.07Å; R56-A60 VanDerWaalsContact O-N 3.11Å; I57-A60 PolarHBondContact O-N 2.89Å; K58-A60 VanDerWaalsContact C-N 3.33Å; K58-A60 PolarHBondContact O-N 2.92Å; A60-G63 PolarHBondContact O-N 3.45Å; A60-R71 VanDerWaalsContact O-CG 3.25Å; A60-R71 WeakPolarHBondContact O-CG 3.29Å; A60-A74 HydrophobicContact CB-CB 3.76Å |
| 61 | L | 92.2 | Very high | 89.5 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.6 | -34.1 | -179.5 | -66.1 | 176.8 | 0 | 0 | 0 | 113.6 | I57 K58 G63 R71 A74 L75 I103 | I57-L61 HydrophobicContact CG2-CD1 3.69Å; I57-L61 HydrophobicContact CG2-CG 4.22Å; I57-L61 WeakPolarHBondContact O-CB 3.5Å; I57-L61 VanDerWaalsContact O-CG 3.23Å; I57-L61 WeakPolarHBondContact O-CG 3.44Å; I57-L61 PolarHBondContact O-N 3.04Å; K58-L61 PolarHBondContact O-N 3.4Å; K58-L61 VanDerWaalsContact O-N 3.12Å; L61-G63 VanDerWaalsContact C-N 3.32Å; L61-R71 HydrophobicContact CD2-CB 4.12Å; L61-R71 WeakPolarHBondContact CD2-O 3.42Å; L61-R71 WeakPolarHBondContact O-CD 3.16Å; L61-A74 HydrophobicContact CD2-CB 3.87Å; L61-A74 HydrophobicContact CG-CB 4.02Å; L61-L75 HydrophobicContact CD1-CD2 4.27Å; L61-L75 HydrophobicContact CD2-CD2 4.04Å; L61-L75 HydrophobicContact CD2-CG 3.77Å; L61-I103 HydrophobicContact CD1-CG1 4.09Å |
| 62 | S | 88.3 | Confident | 89.6 | Confident | 67 Ų | 67 | 64.9 Ų | 64.9 | 47% | 0.469 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 5.9 | 172.4 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | K58 | K58-S62 PolarHBondContact O-N 3.19Å; K58-S62 PolarHBondContact O-OG 3.15Å |
| 63 | G | 80.8 | Confident | 89.6 | Confident | 34 Ų | 34 | 63 Ų | 63 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -72.8 | -169.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D59 A60 L61 | D59-G63 WeakPolarHBondContact O-CA 3.48Å; D59-G63 PolarHBondContact O-N 3.36Å; A60-G63 PolarHBondContact O-N 3.45Å; L61-G63 VanDerWaalsContact C-N 3.32Å |
| 64 | N | 79.9 | Confident | 89.7 | Confident | 90 Ų | 90 | 62.9 Ų | 62.9 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | trans | -56.4 | 123.8 | -179.8 | 178.7 | -8.5 | 0 | 0 | 0 | 110.9 | E66 E67 | N64-E66 PolarHBondContact O-N 3.36Å; N64-E66 VanDerWaalsContact O-N 3.08Å; N64-E66 PolarHBondContact OD1-N 2.94Å; N64-E67 HydrophobicContact CB-CG 4.21Å; N64-E67 PolarHBondContact O-N 2.8Å | ||
| 65 | P | 79.9 | Confident | 89.8 | Confident | 77 Ų | 77 | 62.9 Ų | 62.9 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.1 | -177.4 | 24.2 | -34.9 | 0 | 0 | 0 | 114 | E67 R71 R111 | P65-E67 VanDerWaalsContact C-N 3.31Å; P65-E67 PolarHBondContact O-N 3.28Å; P65-R71 PolarHBondContact O-NH2 2.86Å; P65-R111 PolarHBondContact O-NH1 3.15Å |
| 66 | E | 81.1 | Confident | 89.8 | Confident | 119 Ų | 119 | 62.5 Ų | 62.5 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22.6 | 173.4 | -60.8 | -52.8 | 149.5 | 0 | 0 | 113.5 | N64 W68 R111 | N64-E66 PolarHBondContact O-N 3.36Å; N64-E66 VanDerWaalsContact O-N 3.08Å; N64-E66 PolarHBondContact OD1-N 2.94Å; E66-W68 PolarHBondContact O-N 3.45Å; E66-R111 IonicContact OE2-CZ 2.71Å; E66-R111 IonicContact OE2-NH1 2.78Å; E66-R111 IonicContact OE2-NH2 3.19Å; E66-R111 PolarHBondContact OE2-NH2 2.67Å |
| 67 | E | 88.6 | Confident | 89.8 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 40% | 0.397 | 30% | 0.299 | S | S | . | . | trans | -81.5 | 44.2 | 175.8 | -56.9 | -162.4 | 135.4 | 0 | 0 | 112 | N64 P65 E69 K70 R71 | N64-E67 HydrophobicContact CB-CG 4.21Å; N64-E67 PolarHBondContact O-N 2.8Å; P65-E67 VanDerWaalsContact C-N 3.31Å; P65-E67 PolarHBondContact O-N 3.28Å; E67-E69 PolarHBondContact O-N 3.43Å; E67-E69 VanDerWaalsContact O-N 3.14Å; E67-K70 HydrophobicContact CB-CB 4.42Å; E67-K70 HydrophobicContact CB-CD 4.17Å; E67-K70 HydrophobicContact CB-CG 4.3Å; E67-K70 VanDerWaalsContact CD-CE 3.49Å; E67-K70 WeakPolarHBondContact O-CB 3.42Å; E67-K70 PolarHBondContact O-N 2.98Å; E67-K70 WeakPolarHBondContact OE1-CE 2.93Å; E67-K70 IonicContact OE1-NZ 2.64Å; E67-K70 PolarHBondContact OE1-NZ 2.97Å; E67-K70 WeakPolarHBondContact OE2-CD 3.16Å; E67-K70 WeakPolarHBondContact OE2-CE 3.31Å; E67-K70 IonicContact OE2-NZ 3.22Å; E67-K70 PolarHBondContact OE2-NZ 3.43Å; E67-R71 PolarHBondContact O-N 3.17Å | ||
| 68 | W | 90.5 | Very high | 89.8 | Confident | 76 Ų | 76 | 56.5 Ų | 56.5 | 29% | 0.288 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.6 | -28.3 | -173.3 | 74.3 | -87.1 | 0 | 0 | 0 | 113.7 | E66 R71 V72 R111 S113 V114 | E66-W68 PolarHBondContact O-N 3.45Å; W68-R71 PolarHBondContact O-N 3.24Å; W68-V72 HydrophobicContact CE3-CG2 4.06Å; W68-V72 HydrophobicContact CZ3-CG2 4.23Å; W68-V72 WeakPolarHBondContact O-CG2 3.44Å; W68-V72 PolarHBondContact O-N 2.81Å; W68-R111 VanDerWaalsContact CG-CD 3.45Å; W68-S113 WeakPolarHBondContact CZ3-OG 3.43Å; W68-V114 HydrophobicContact CB-CG2 3.84Å; W68-V114 HydrophobicContact CE3-CG2 4Å |
| 69 | E | 93.2 | Very high | 89.8 | Confident | 121 Ų | 121 | 53 Ų | 53 | 57% | 0.565 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -68.3 | -44.2 | 175.4 | -62.1 | -175.7 | 148.3 | 0 | 0 | 111.5 | E67 R71 V72 D73 | E67-E69 PolarHBondContact O-N 3.43Å; E67-E69 VanDerWaalsContact O-N 3.14Å; E69-R71 VanDerWaalsContact C-N 3.25Å; E69-R71 PolarHBondContact O-N 3.15Å; E69-V72 WeakPolarHBondContact O-CB 3.31Å; E69-V72 PolarHBondContact O-N 2.89Å; E69-D73 PolarHBondContact O-N 3.34Å |
| 70 | K | 91.3 | Very high | 89.8 | Confident | 116 Ų | 116 | 48.3 Ų | 48.3 | 50% | 0.504 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.7 | -35.9 | 173.7 | -59.3 | -171.9 | -164.6 | 167.4 | 0 | 111.4 | E67 D73 A74 | E67-K70 HydrophobicContact CB-CB 4.42Å; E67-K70 HydrophobicContact CB-CD 4.17Å; E67-K70 HydrophobicContact CB-CG 4.3Å; E67-K70 VanDerWaalsContact CD-CE 3.49Å; E67-K70 WeakPolarHBondContact O-CB 3.42Å; E67-K70 PolarHBondContact O-N 2.98Å; E67-K70 WeakPolarHBondContact OE1-CE 2.93Å; E67-K70 IonicContact OE1-NZ 2.64Å; E67-K70 PolarHBondContact OE1-NZ 2.97Å; E67-K70 WeakPolarHBondContact OE2-CD 3.16Å; E67-K70 WeakPolarHBondContact OE2-CE 3.31Å; E67-K70 IonicContact OE2-NZ 3.22Å; E67-K70 PolarHBondContact OE2-NZ 3.43Å; K70-D73 PolarHBondContact O-N 3.1Å; K70-A74 WeakPolarHBondContact O-CB 3.28Å; K70-A74 PolarHBondContact O-N 3.46Å |
| 71 | R | 92.9 | Very high | 89.7 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 4% | 0.038 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.9 | -42.8 | 174.9 | -65.4 | -168.1 | -70.1 | 118.4 | 2 | 111.9 | A60 L61 P65 E67 W68 E69 D73 A74 L75 D109 | A60-R71 VanDerWaalsContact O-CG 3.25Å; A60-R71 WeakPolarHBondContact O-CG 3.29Å; L61-R71 HydrophobicContact CD2-CB 4.12Å; L61-R71 WeakPolarHBondContact CD2-O 3.42Å; L61-R71 WeakPolarHBondContact O-CD 3.16Å; P65-R71 PolarHBondContact O-NH2 2.86Å; E67-R71 PolarHBondContact O-N 3.17Å; W68-R71 PolarHBondContact O-N 3.24Å; E69-R71 VanDerWaalsContact C-N 3.25Å; E69-R71 PolarHBondContact O-N 3.15Å; R71-D73 VanDerWaalsContact C-N 3.33Å; R71-D73 PolarHBondContact O-N 3.3Å; R71-A74 PolarHBondContact O-N 2.92Å; R71-L75 WeakPolarHBondContact O-CG 3.44Å; R71-L75 PolarHBondContact O-N 2.76Å; R71-D109 IonicContact CZ-OD2 2.65Å; R71-D109 IonicContact NH1-OD2 2.67Å; R71-D109 PolarHBondContact NH1-OD2 3.41Å; R71-D109 IonicContact NH2-OD2 2.72Å; R71-D109 PolarHBondContact NH2-OD2 3.45Å |
| 72 | V | 93.1 | Very high | 89.7 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 9% | 0.085 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.4 | -41.8 | 171.5 | 158.5 | 0 | 0 | 0 | 0 | 111.7 | W68 E69 L75 K76 V114 E117 | W68-V72 HydrophobicContact CE3-CG2 4.06Å; W68-V72 HydrophobicContact CZ3-CG2 4.23Å; W68-V72 WeakPolarHBondContact O-CG2 3.44Å; W68-V72 PolarHBondContact O-N 2.81Å; E69-V72 WeakPolarHBondContact O-CB 3.31Å; E69-V72 PolarHBondContact O-N 2.89Å; V72-L75 PolarHBondContact O-N 2.85Å; V72-K76 VanDerWaalsContact CG1-CE 3.5Å; V72-K76 WeakPolarHBondContact O-CG 3.42Å; V72-K76 PolarHBondContact O-N 3.03Å; V72-V114 HydrophobicContact CG2-CB 4.49Å; V72-V114 HydrophobicContact CG2-CG2 4.11Å; V72-E117 HydrophobicContact CG1-CG 4.22Å; V72-E117 HydrophobicContact CG2-CB 4.28Å |
| 73 | D | 91.9 | Very high | 89.7 | Confident | 72 Ų | 72 | 45.4 Ų | 45.4 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -75.7 | -29.9 | 178.6 | -72.4 | -19.4 | 0 | 0 | 0 | 113.5 | E69 K70 R71 K76 T77 | E69-D73 PolarHBondContact O-N 3.34Å; K70-D73 PolarHBondContact O-N 3.1Å; R71-D73 VanDerWaalsContact C-N 3.33Å; R71-D73 PolarHBondContact O-N 3.3Å; D73-K76 PolarHBondContact O-N 3.47Å; D73-K76 WeakPolarHBondContact OD1-CD 3.4Å; D73-K76 WeakPolarHBondContact OD1-CE 3.23Å; D73-K76 IonicContact OD1-NZ 3.66Å; D73-K76 PolarHBondContact OD1-NZ 3.36Å; D73-T77 VanDerWaalsContact O-CB 3.3Å; D73-T77 WeakPolarHBondContact O-CB 3.19Å; D73-T77 PolarHBondContact O-N 2.93Å; D73-T77 PolarHBondContact O-OG1 3.49Å |
| 74 | A | 93.1 | Very high | 89.9 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I57 A60 L61 K70 R71 K76 T77 L78 | I57-A74 HydrophobicContact CG2-CB 4.39Å; A60-A74 HydrophobicContact CB-CB 3.76Å; L61-A74 HydrophobicContact CD2-CB 3.87Å; L61-A74 HydrophobicContact CG-CB 4.02Å; K70-A74 WeakPolarHBondContact O-CB 3.28Å; K70-A74 PolarHBondContact O-N 3.46Å; R71-A74 PolarHBondContact O-N 2.92Å; A74-K76 PolarHBondContact O-N 3.47Å; A74-T77 PolarHBondContact O-N 3.09Å; A74-L78 PolarHBondContact O-N 3.47Å |
| 75 | L | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -40.2 | 172.7 | -72.2 | 168.4 | 0 | 0 | 0 | 112.3 | L61 R71 V72 R79 I103 E117 A118 T121 | L61-L75 HydrophobicContact CD1-CD2 4.27Å; L61-L75 HydrophobicContact CD2-CD2 4.04Å; L61-L75 HydrophobicContact CD2-CG 3.77Å; R71-L75 WeakPolarHBondContact O-CG 3.44Å; R71-L75 PolarHBondContact O-N 2.76Å; V72-L75 PolarHBondContact O-N 2.85Å; L75-R79 PolarHBondContact O-N 3.35Å; L75-I103 HydrophobicContact CD2-CG1 4.3Å; L75-E117 HydrophobicContact CB-CG 4.02Å; L75-E117 HydrophobicContact CD1-CB 4.06Å; L75-E117 HydrophobicContact CD1-CG 4.28Å; L75-A118 HydrophobicContact CD1-CB 3.91Å; L75-A118 HydrophobicContact CD2-CB 4.45Å; L75-T121 HydrophobicContact CD2-CG2 4.23Å; L75-T121 PolarHBondContact O-OG1 3.26Å; L75-T121 VanDerWaalsContact O-OG1 3.08Å |
| 76 | K | 93.6 | Very high | 90.4 | Very high | 58 Ų | 58 | 39.9 Ų | 39.9 | 25% | 0.252 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 171.6 | -67.5 | 169.8 | -160.3 | 162 | 0 | 111.3 | P38 M40 V72 D73 A74 L78 R79 A80 E117 | P38-K76 HydrophobicContact CB-CB 3.98Å; P38-K76 HydrophobicContact CB-CG 4.21Å; P38-K76 HydrophobicContact CG-CB 3.87Å; P38-K76 HydrophobicContact CG-CG 4.49Å; P38-K76 WeakPolarHBondContact CG-O 3.49Å; M40-K76 HydrophobicContact CE-CB 3.62Å; V72-K76 VanDerWaalsContact CG1-CE 3.5Å; V72-K76 WeakPolarHBondContact O-CG 3.42Å; V72-K76 PolarHBondContact O-N 3.03Å; D73-K76 PolarHBondContact O-N 3.47Å; D73-K76 WeakPolarHBondContact OD1-CD 3.4Å; D73-K76 WeakPolarHBondContact OD1-CE 3.23Å; D73-K76 IonicContact OD1-NZ 3.66Å; D73-K76 PolarHBondContact OD1-NZ 3.36Å; A74-K76 PolarHBondContact O-N 3.47Å; K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 2.71Å; K76-R79 PolarHBondContact O-N 3.37Å; K76-R79 VanDerWaalsContact O-N 3.08Å; K76-A80 PolarHBondContact O-N 2.87Å; K76-E117 VanDerWaalsContact CG-OE1 3.25Å; K76-E117 WeakPolarHBondContact CG-OE1 3.38Å |
| 77 | T | 91.8 | Very high | 90.7 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 16% | 0.16 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | -178.7 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | M40 I42 I53 I57 D73 A74 R79 A80 I81 | M40-T77 WeakPolarHBondContact CE-OG1 3.26Å; I42-T77 HydrophobicContact CD1-CG2 3.59Å; I53-T77 HydrophobicContact CG2-CG2 4.31Å; I57-T77 HydrophobicContact CD1-CG2 4.08Å; I57-T77 HydrophobicContact CG1-CG2 4.13Å; D73-T77 VanDerWaalsContact O-CB 3.3Å; D73-T77 WeakPolarHBondContact O-CB 3.19Å; D73-T77 PolarHBondContact O-N 2.93Å; D73-T77 PolarHBondContact O-OG1 3.49Å; A74-T77 PolarHBondContact O-N 3.09Å; T77-R79 PolarHBondContact O-N 2.88Å; T77-A80 WeakPolarHBondContact O-CB 3.05Å; T77-A80 PolarHBondContact O-N 3.41Å; T77-I81 HydrophobicContact CG2-CD1 3.89Å; T77-I81 WeakPolarHBondContact O-CD1 3.37Å; T77-I81 VanDerWaalsContact O-CG1 3.24Å; T77-I81 WeakPolarHBondContact O-CG1 3.3Å; T77-I81 PolarHBondContact O-N 2.97Å; T77-I81 VanDerWaalsContact O-N 3.1Å |
| 78 | L | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.1 | -45.5 | 172.1 | -176.6 | 59.7 | 0 | 0 | 0 | 112.6 | I54 I57 A74 K76 V82 F92 L96 L99 I103 T121 L125 | I54-L78 HydrophobicContact CD1-CD1 3.55Å; I57-L78 HydrophobicContact CD1-CB 4.03Å; I57-L78 HydrophobicContact CD1-CD1 4.22Å; I57-L78 HydrophobicContact CG2-CB 4.38Å; A74-L78 PolarHBondContact O-N 3.47Å; K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 2.71Å; L78-V82 WeakPolarHBondContact O-CG2 3.28Å; L78-V82 PolarHBondContact O-N 2.73Å; L78-F92 HydrophobicContact CD1-CE2 4.4Å; L78-L96 HydrophobicContact CD2-CD1 4.4Å; L78-L99 HydrophobicContact CD1-CD1 3.71Å; L78-L99 HydrophobicContact CD2-CD1 3.69Å; L78-L99 HydrophobicContact CG-CD1 4.33Å; L78-I103 HydrophobicContact CD2-CD1 3.74Å; L78-T121 HydrophobicContact CD2-CG2 3.86Å; L78-T121 HydrophobicContact CG-CG2 4.46Å; L78-L125 HydrophobicContact CD2-CD1 4.18Å |
| 79 | R | 93.3 | Very high | 90.4 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.9 | -39.8 | 177.1 | -59.4 | -161.6 | -55.8 | -83.1 | 4.8 | 112.4 | S35 F36 P38 L75 K76 T77 I81 V82 A83 E117 T121 F124 | S35-R79 VanDerWaalsContact O-CZ 3.31Å; S35-R79 PolarHBondContact O-NE 3.1Å; S35-R79 VanDerWaalsContact O-NE 3.14Å; S35-R79 PolarHBondContact O-NH2 3.49Å; F36-R79 WeakPolarHBondContact O-CB 3.35Å; F36-R79 WeakPolarHBondContact O-CD 3.46Å; F36-R79 PolarHBondContact O-NE 3.49Å; P38-R79 HydrophobicContact CG-CB 4.26Å; L75-R79 PolarHBondContact O-N 3.35Å; K76-R79 PolarHBondContact O-N 3.37Å; K76-R79 VanDerWaalsContact O-N 3.08Å; T77-R79 PolarHBondContact O-N 2.88Å; R79-I81 PolarHBondContact O-N 2.89Å; R79-V82 PolarHBondContact O-N 3.01Å; R79-A83 WeakPolarHBondContact O-CB 3.48Å; R79-A83 PolarHBondContact O-N 3.4Å; R79-E117 IonicContact CZ-OE1 3.54Å; R79-E117 IonicContact NH1-OE1 3.54Å; R79-E117 PolarHBondContact NH1-OE1 3.39Å; R79-E117 IonicContact NH2-OE1 3.82Å; R79-E117 PolarHBondContact NH2-OE1 3.2Å; R79-T121 WeakPolarHBondContact CD-OG1 3.36Å; R79-T121 HydrophobicContact CG-CG2 4.08Å; R79-T121 WeakPolarHBondContact CG-OG1 3.47Å; R79-T121 PolarHBondContact NH1-OG1 3.07Å; R79-F124 HydrophobicContact CB-CD1 3.71Å; R79-F124 HydrophobicContact CB-CE1 3.91Å; R79-F124 HydrophobicContact CG-CB 4.47Å; R79-F124 HydrophobicContact CG-CD1 3.7Å; R79-F124 HydrophobicContact CG-CE1 4.4Å; R79-F124 HydrophobicContact CG-CG 4.4Å; R79-F124 WeakPolarHBondContact O-CE1 3.39Å |
| 80 | A | 91.2 | Very high | 90 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.7 | -49.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P38 M40 I42 K76 T77 V82 A83 N84 | P38-A80 HydrophobicContact CG-CB 4.3Å; M40-A80 HydrophobicContact CB-CB 4.31Å; M40-A80 VanDerWaalsContact O-CB 3.27Å; M40-A80 WeakPolarHBondContact O-CB 3.3Å; I42-A80 HydrophobicContact CB-CB 4.41Å; K76-A80 PolarHBondContact O-N 2.87Å; T77-A80 WeakPolarHBondContact O-CB 3.05Å; T77-A80 PolarHBondContact O-N 3.41Å; A80-V82 PolarHBondContact O-N 3.33Å; A80-A83 PolarHBondContact O-N 2.94Å; A80-N84 WeakPolarHBondContact O-CB 3.34Å; A80-N84 PolarHBondContact O-N 2.96Å; A80-N84 PolarHBondContact O-ND2 3.12Å |
| 81 | I | 90.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | -176.8 | -53.7 | 147.5 | 0 | 0 | 0 | 110.8 | I42 L50 I53 I57 T77 R79 N84 G85 A86 | I42-I81 HydrophobicContact CB-CG1 4.14Å; I42-I81 HydrophobicContact CG2-CD1 4.43Å; I42-I81 HydrophobicContact CG2-CG1 3.71Å; I42-I81 WeakPolarHBondContact O-CA 3.27Å; L50-I81 HydrophobicContact CD1-CG2 3.55Å; I53-I81 HydrophobicContact CB-CD1 4.22Å; I53-I81 HydrophobicContact CG2-CD1 3.28Å; I53-I81 HydrophobicContact CG2-CG1 4.22Å; I57-I81 HydrophobicContact CD1-CD1 3.53Å; T77-I81 HydrophobicContact CG2-CD1 3.89Å; T77-I81 WeakPolarHBondContact O-CD1 3.37Å; T77-I81 VanDerWaalsContact O-CG1 3.24Å; T77-I81 WeakPolarHBondContact O-CG1 3.3Å; T77-I81 PolarHBondContact O-N 2.97Å; T77-I81 VanDerWaalsContact O-N 3.1Å; R79-I81 PolarHBondContact O-N 2.89Å; I81-N84 CarbonylContact O-C 3Å; I81-N84 PolarHBondContact O-N 3.21Å; I81-G85 PolarHBondContact O-N 3.44Å; I81-A86 HydrophobicContact CG2-CB 3.9Å; I81-A86 WeakPolarHBondContact O-CB 3.35Å; I81-A86 PolarHBondContact O-N 2.68Å |
| 82 | V | 90.7 | Very high | 89.7 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 175.3 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | L78 R79 A80 N84 G85 A86 L87 F92 F124 L125 E128 | L78-V82 WeakPolarHBondContact O-CG2 3.28Å; L78-V82 PolarHBondContact O-N 2.73Å; R79-V82 PolarHBondContact O-N 3.01Å; A80-V82 PolarHBondContact O-N 3.33Å; V82-N84 VanDerWaalsContact C-N 3.25Å; V82-N84 PolarHBondContact O-N 2.88Å; V82-G85 PolarHBondContact O-N 3.35Å; V82-A86 HydrophobicContact CG2-CB 4.19Å; V82-L87 HydrophobicContact CG1-CD1 4.01Å; V82-L87 HydrophobicContact CG1-CG 4.3Å; V82-F92 HydrophobicContact CG2-CE1 4.09Å; V82-F92 HydrophobicContact CG2-CE2 3.69Å; V82-F92 HydrophobicContact CG2-CZ 3.3Å; V82-F124 HydrophobicContact CB-CE1 3.92Å; V82-F124 HydrophobicContact CG1-CD1 4.43Å; V82-F124 HydrophobicContact CG1-CE1 3.68Å; V82-F124 HydrophobicContact CG1-CZ 4.2Å; V82-L125 HydrophobicContact CG2-CD2 4.09Å; V82-E128 HydrophobicContact CG1-CB 4.24Å; V82-E128 HydrophobicContact CG1-CG 4.32Å |
| 83 | A | 88.6 | Confident | 89.5 | Confident | 37 Ų | 37 | 39.4 Ų | 39.4 | 31% | 0.306 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.1 | -34.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | I37 R79 A80 G85 F124 | I37-A83 HydrophobicContact CD1-CB 4.3Å; I37-A83 HydrophobicContact CG1-CB 3.99Å; I37-A83 HydrophobicContact CG2-CB 4.07Å; R79-A83 WeakPolarHBondContact O-CB 3.48Å; R79-A83 PolarHBondContact O-N 3.4Å; A80-A83 PolarHBondContact O-N 2.94Å; A83-G85 VanDerWaalsContact C-N 3.28Å; A83-G85 PolarHBondContact O-N 3.39Å; A83-F124 HydrophobicContact CB-CE1 4.41Å; A83-F124 HydrophobicContact CB-CZ 3.9Å |
| 84 | N | 85.8 | Confident | 89.4 | Confident | 65 Ų | 65 | 39.6 Ų | 39.6 | 35% | 0.348 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 19.6 | 178.3 | -61.4 | -37.7 | 0 | 0 | 0 | 113.6 | I42 T43 A80 I81 V82 | I42-N84 PolarHBondContact N-ND2 3.28Å; I42-N84 WeakPolarHBondContact O-CB 3.37Å; I42-N84 PolarHBondContact O-ND2 3.26Å; T43-N84 HydrophobicContact CG2-CB 3.84Å; A80-N84 WeakPolarHBondContact O-CB 3.34Å; A80-N84 PolarHBondContact O-N 2.96Å; A80-N84 PolarHBondContact O-ND2 3.12Å; I81-N84 CarbonylContact O-C 3Å; I81-N84 PolarHBondContact O-N 3.21Å; V82-N84 VanDerWaalsContact C-N 3.25Å; V82-N84 PolarHBondContact O-N 2.88Å |
| 85 | G | 83.4 | Confident | 89.3 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 17% | 0.165 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 103.4 | 11.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | I81 V82 A83 L87 Q88 | I81-G85 PolarHBondContact O-N 3.44Å; V82-G85 PolarHBondContact O-N 3.35Å; A83-G85 VanDerWaalsContact C-N 3.28Å; A83-G85 PolarHBondContact O-N 3.39Å; G85-L87 PolarHBondContact O-N 3.34Å; G85-Q88 WeakPolarHBondContact O-CB 3.26Å; G85-Q88 WeakPolarHBondContact O-CG 3.46Å; G85-Q88 PolarHBondContact O-N 2.88Å |
| 86 | A | 86.5 | Confident | 89.1 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -48.7 | -32.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L50 I81 V82 Q88 Y89 F92 | L50-A86 HydrophobicContact CD1-CB 4.16Å; I81-A86 HydrophobicContact CG2-CB 3.9Å; I81-A86 WeakPolarHBondContact O-CB 3.35Å; I81-A86 PolarHBondContact O-N 2.68Å; V82-A86 HydrophobicContact CG2-CB 4.19Å; A86-Q88 PolarHBondContact O-N 3.34Å; A86-Q88 VanDerWaalsContact O-N 3.11Å; A86-Y89 PolarHBondContact O-N 3.21Å; A86-F92 HydrophobicContact CB-CD2 3.61Å; A86-F92 HydrophobicContact CB-CE2 3.92Å; A86-F92 HydrophobicContact CB-CG 4.05Å; A86-F92 WeakPolarHBondContact O-CB 3.15Å |
| 87 | L | 86.5 | Confident | 89 | Confident | 42 Ų | 42 | 40.9 Ų | 40.9 | 22% | 0.22 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -67.3 | -5.6 | -178.8 | -65.6 | 168.6 | 0 | 0 | 0 | 114.9 | V82 G85 F92 I93 E128 I129 | V82-L87 HydrophobicContact CG1-CD1 4.01Å; V82-L87 HydrophobicContact CG1-CG 4.3Å; G85-L87 PolarHBondContact O-N 3.34Å; L87-F92 HydrophobicContact CD2-CD1 3.55Å; L87-F92 HydrophobicContact CD2-CE1 3.61Å; L87-F92 HydrophobicContact CG-CD1 4.43Å; L87-F92 HydrophobicContact CG-CE1 4.49Å; L87-I93 HydrophobicContact CD2-CD1 4.31Å; L87-E128 HydrophobicContact CD1-CB 3.67Å; L87-I129 HydrophobicContact CD1-CG1 4.44Å; L87-I129 HydrophobicContact CD2-CD1 4.34Å; L87-I129 HydrophobicContact CD2-CG1 3.68Å |
| 88 | Q | 86.3 | Confident | 89 | Confident | 167 Ų | 167 | 42.3 Ų | 42.3 | 78% | 0.78 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -84.6 | -16.6 | 172.2 | -58.8 | 175.5 | 30.3 | 0 | 0 | 112.6 | G85 A86 | G85-Q88 WeakPolarHBondContact O-CB 3.26Å; G85-Q88 WeakPolarHBondContact O-CG 3.46Å; G85-Q88 PolarHBondContact O-N 2.88Å; A86-Q88 PolarHBondContact O-N 3.34Å; A86-Q88 VanDerWaalsContact O-N 3.11Å |
| 89 | Y | 87.5 | Confident | 89 | Confident | 62 Ų | 62 | 42.3 Ų | 42.3 | 24% | 0.243 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -92.4 | 123.7 | 176.1 | -65.8 | -82.3 | 0 | 0 | 0 | 110 | A44 S45 L50 A86 E91 F92 | A44-Y89 HydrophobicContact CB-CE2 4.37Å; A44-Y89 PolarHBondContact O-OH 3.48Å; S45-Y89 PolarHBondContact O-OH 2.89Å; L50-Y89 HydrophobicContact CD2-CD2 3.86Å; L50-Y89 HydrophobicContact CD2-CG 3.82Å; A86-Y89 PolarHBondContact O-N 3.21Å; Y89-E91 PolarHBondContact O-N 2.77Å; Y89-F92 VanDerWaalsContact O-CB 3.31Å; Y89-F92 WeakPolarHBondContact O-CB 3.3Å; Y89-F92 PolarHBondContact O-N 2.96Å |
| 90 | D | 84.6 | Confident | 88.9 | Confident | 145 Ų | 145 | 43.8 Ų | 43.8 | 78% | 0.775 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.6 | 179.6 | -76.5 | -46.3 | 0 | 0 | 0 | 112.4 | F92 P94 | D90-F92 PolarHBondContact O-N 3.32Å; D90-P94 WeakPolarHBondContact O-CD 3.32Å |
| 91 | E | 86.9 | Confident | 88.9 | Confident | 81 Ų | 81 | 48.4 Ų | 48.4 | 38% | 0.379 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -22.4 | 174.9 | -53.2 | 97.2 | 137.8 | 0 | 0 | 113 | G47 Y89 I93 P94 L95 | G47-E91 WeakPolarHBondContact CA-OE1 3.47Å; Y89-E91 PolarHBondContact O-N 2.77Å; E91-I93 PolarHBondContact O-N 3.14Å; E91-P94 WeakPolarHBondContact O-CB 3.41Å; E91-P94 VanDerWaalsContact O-CD 3.28Å; E91-P94 WeakPolarHBondContact O-CD 3.4Å; E91-L95 HydrophobicContact CB-CD1 3.98Å; E91-L95 HydrophobicContact CB-CG 4.49Å; E91-L95 WeakPolarHBondContact O-CB 3.46Å; E91-L95 WeakPolarHBondContact O-CD1 3.34Å; E91-L95 WeakPolarHBondContact O-CG 3.24Å; E91-L95 PolarHBondContact O-N 3.4Å |
| 92 | F | 90.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | -172.5 | 179.7 | -100 | 0 | 0 | 0 | 113.6 | L50 I54 L78 V82 A86 L87 Y89 D90 L95 L96 L125 I129 | L50-F92 HydrophobicContact CD1-CD2 4.38Å; L50-F92 HydrophobicContact CD2-CB 4.02Å; L50-F92 HydrophobicContact CD2-CD2 4.27Å; I54-F92 HydrophobicContact CD1-CE2 4.1Å; L78-F92 HydrophobicContact CD1-CE2 4.4Å; V82-F92 HydrophobicContact CG2-CE1 4.09Å; V82-F92 HydrophobicContact CG2-CE2 3.69Å; V82-F92 HydrophobicContact CG2-CZ 3.3Å; A86-F92 HydrophobicContact CB-CD2 3.61Å; A86-F92 HydrophobicContact CB-CE2 3.92Å; A86-F92 HydrophobicContact CB-CG 4.05Å; A86-F92 WeakPolarHBondContact O-CB 3.15Å; L87-F92 HydrophobicContact CD2-CD1 3.55Å; L87-F92 HydrophobicContact CD2-CE1 3.61Å; L87-F92 HydrophobicContact CG-CD1 4.43Å; L87-F92 HydrophobicContact CG-CE1 4.49Å; Y89-F92 VanDerWaalsContact O-CB 3.31Å; Y89-F92 WeakPolarHBondContact O-CB 3.3Å; Y89-F92 PolarHBondContact O-N 2.96Å; D90-F92 PolarHBondContact O-N 3.32Å; F92-L95 PolarHBondContact O-N 3.02Å; F92-L96 HydrophobicContact CE1-CB 4.29Å; F92-L96 HydrophobicContact CE1-CD2 4.03Å; F92-L96 HydrophobicContact CZ-CB 4.25Å; F92-L96 HydrophobicContact CZ-CD1 4.31Å; F92-L96 HydrophobicContact CZ-CD2 4.26Å; F92-L96 WeakPolarHBondContact O-CB 3.23Å; F92-L96 PolarHBondContact O-N 2.79Å; F92-L125 HydrophobicContact CZ-CD2 4.38Å; F92-I129 HydrophobicContact CE1-CD1 4.04Å |
| 93 | I | 89.4 | Confident | 89.3 | Confident | 35 Ų | 35 | 48.4 Ų | 48.4 | 18% | 0.179 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70 | -42.8 | -178.7 | -60.2 | -64.9 | 0 | 0 | 0 | 111.7 | L87 E91 K97 I129 | L87-I93 HydrophobicContact CD2-CD1 4.31Å; E91-I93 PolarHBondContact O-N 3.14Å; I93-K97 WeakPolarHBondContact O-CD 3.45Å; I93-K97 WeakPolarHBondContact O-CE 3.06Å; I93-K97 WeakPolarHBondContact O-CG 3.3Å; I93-I129 HydrophobicContact CD1-CD1 4.49Å; I93-I129 HydrophobicContact CD1-CG2 3.98Å |
| 94 | P | 90.1 | Very high | 89.5 | Confident | 76 Ų | 76 | 47.8 Ų | 47.8 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -50.2 | -50.7 | 162.2 | -30 | 35.5 | 0 | 0 | 0 | 113.9 | D90 E91 L96 K97 | D90-P94 WeakPolarHBondContact O-CD 3.32Å; E91-P94 WeakPolarHBondContact O-CB 3.41Å; E91-P94 VanDerWaalsContact O-CD 3.28Å; E91-P94 WeakPolarHBondContact O-CD 3.4Å; P94-L96 PolarHBondContact O-N 3.12Å; P94-K97 PolarHBondContact O-N 2.88Å |
| 95 | L | 90.3 | Very high | 89.8 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -40.8 | -177.2 | -74.3 | 168.9 | 0 | 0 | 0 | 112.7 | L50 T51 I54 E91 F92 K97 T98 | L50-L95 HydrophobicContact CD2-CD1 4.35Å; L50-L95 HydrophobicContact CG-CD1 4.08Å; T51-L95 HydrophobicContact CG2-CD2 3.97Å; I54-L95 HydrophobicContact CB-CB 4.39Å; I54-L95 HydrophobicContact CG1-CB 4.32Å; I54-L95 HydrophobicContact CG1-CD1 4.34Å; I54-L95 HydrophobicContact CG2-CB 4Å; I54-L95 HydrophobicContact CG2-CD2 4.43Å; E91-L95 HydrophobicContact CB-CD1 3.98Å; E91-L95 HydrophobicContact CB-CG 4.49Å; E91-L95 WeakPolarHBondContact O-CB 3.46Å; E91-L95 WeakPolarHBondContact O-CD1 3.34Å; E91-L95 WeakPolarHBondContact O-CG 3.24Å; E91-L95 PolarHBondContact O-N 3.4Å; F92-L95 PolarHBondContact O-N 3.02Å; L95-K97 VanDerWaalsContact C-N 3.27Å; L95-K97 PolarHBondContact O-N 3.34Å; L95-T98 WeakPolarHBondContact O-CB 3.25Å; L95-T98 PolarHBondContact O-N 3.12Å; L95-T98 PolarHBondContact O-OG1 2.96Å |
| 96 | L | 91.4 | Very high | 90.3 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.037 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.8 | -34.6 | -179.2 | -179.5 | 61.9 | 0 | 0 | 0 | 113 | L78 F92 P94 T98 L99 L125 I129 F136 | L78-L96 HydrophobicContact CD2-CD1 4.4Å; F92-L96 HydrophobicContact CE1-CB 4.29Å; F92-L96 HydrophobicContact CE1-CD2 4.03Å; F92-L96 HydrophobicContact CZ-CB 4.25Å; F92-L96 HydrophobicContact CZ-CD1 4.31Å; F92-L96 HydrophobicContact CZ-CD2 4.26Å; F92-L96 WeakPolarHBondContact O-CB 3.23Å; F92-L96 PolarHBondContact O-N 2.79Å; P94-L96 PolarHBondContact O-N 3.12Å; L96-T98 PolarHBondContact O-N 3.14Å; L96-L99 HydrophobicContact CD1-CD1 4.35Å; L96-L99 WeakPolarHBondContact O-CB 3.41Å; L96-L99 PolarHBondContact O-N 3.08Å; L96-L125 HydrophobicContact CD1-CD1 4.05Å; L96-L125 HydrophobicContact CD1-CD2 4.1Å; L96-L125 HydrophobicContact CD2-CD2 4.2Å; L96-I129 HydrophobicContact CD2-CD1 3.35Å; L96-F136 HydrophobicContact CD1-CE2 4.18Å; L96-F136 HydrophobicContact CG-CD2 4.13Å; L96-F136 HydrophobicContact CG-CE2 4.14Å |
| 97 | K | 90.3 | Very high | 90.8 | Very high | 68 Ų | 68 | 48.7 Ų | 48.7 | 30% | 0.296 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.3 | -27.6 | 176.3 | -58.7 | 142 | -179.1 | -71.7 | 0 | 112.1 | I93 P94 L95 L99 E100 E863 | I93-K97 WeakPolarHBondContact O-CD 3.45Å; I93-K97 WeakPolarHBondContact O-CE 3.06Å; I93-K97 WeakPolarHBondContact O-CG 3.3Å; P94-K97 PolarHBondContact O-N 2.88Å; L95-K97 VanDerWaalsContact C-N 3.27Å; L95-K97 PolarHBondContact O-N 3.34Å; K97-L99 PolarHBondContact O-N 2.95Å; K97-E100 WeakPolarHBondContact O-CB 3.35Å; K97-E100 PolarHBondContact O-N 3.49Å; K97-E863 WeakPolarHBondContact CD-OE2 3.37Å; K97-E863 WeakPolarHBondContact CE-OE2 3.41Å; K97-E863 VanDerWaalsContact CG-OE2 3.24Å; K97-E863 WeakPolarHBondContact CG-OE2 3.33Å; K97-E863 IonicContact NZ-OE1 2.74Å; K97-E863 PolarHBondContact NZ-OE1 2.71Å; K97-E863 IonicContact NZ-OE2 3.65Å; K97-E863 PolarHBondContact NZ-OE2 3.38Å |
| 98 | T | 91.8 | Very high | 91.1 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 34% | 0.344 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.1 | 175.9 | 77.6 | 0 | 0 | 0 | 0 | 113.1 | K58 L95 L96 | K58-T98 WeakPolarHBondContact CE-O 3.28Å; L95-T98 WeakPolarHBondContact O-CB 3.25Å; L95-T98 PolarHBondContact O-N 3.12Å; L95-T98 PolarHBondContact O-OG1 2.96Å; L96-T98 PolarHBondContact O-N 3.14Å |
| 99 | L | 92.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -7.2 | 175.6 | -57.7 | -177.4 | 0 | 0 | 0 | 113.6 | I54 I57 K58 L78 L96 K97 N101 S102 I103 | I54-L99 HydrophobicContact CD1-CD1 4.19Å; I54-L99 HydrophobicContact CG2-CD1 4.02Å; I54-L99 HydrophobicContact CG2-CD2 4.05Å; I54-L99 HydrophobicContact CG2-CG 3.99Å; I57-L99 HydrophobicContact CG2-CD1 4.02Å; I57-L99 HydrophobicContact CG2-CD2 4.06Å; K58-L99 HydrophobicContact CB-CD2 3.49Å; K58-L99 VanDerWaalsContact CB-CD2 3.49Å; K58-L99 HydrophobicContact CG-CD2 3.96Å; L78-L99 HydrophobicContact CD1-CD1 3.71Å; L78-L99 HydrophobicContact CD2-CD1 3.69Å; L78-L99 HydrophobicContact CG-CD1 4.33Å; L96-L99 HydrophobicContact CD1-CD1 4.35Å; L96-L99 WeakPolarHBondContact O-CB 3.41Å; L96-L99 PolarHBondContact O-N 3.08Å; K97-L99 PolarHBondContact O-N 2.95Å; L99-N101 PolarHBondContact O-N 3.05Å; L99-S102 PolarHBondContact O-N 3.33Å; L99-S102 VanDerWaalsContact O-N 3.13Å; L99-I103 HydrophobicContact CB-CD1 3.79Å; L99-I103 HydrophobicContact CB-CG1 4.35Å; L99-I103 HydrophobicContact CD1-CD1 4.46Å; L99-I103 WeakPolarHBondContact O-CB 3.16Å; L99-I103 WeakPolarHBondContact O-CG1 3.38Å; L99-I103 PolarHBondContact O-N 3.25Å |
| 100 | E | 92.2 | Very high | 91.7 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 17% | 0.168 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.6 | -52.7 | -170.6 | -169.9 | 175.9 | 151.5 | 0 | 0 | 112.3 | K97 S102 I103 D104 F136 S139 | K97-E100 WeakPolarHBondContact O-CB 3.35Å; K97-E100 PolarHBondContact O-N 3.49Å; E100-S102 PolarHBondContact O-N 2.95Å; E100-I103 PolarHBondContact O-N 3.03Å; E100-D104 PolarHBondContact O-N 2.86Å; E100-F136 HydrophobicContact CB-CD2 4.22Å; E100-F136 HydrophobicContact CB-CE2 3.93Å; E100-F136 HydrophobicContact CG-CD2 4.17Å; E100-F136 HydrophobicContact CG-CE2 4.18Å; E100-S139 VanDerWaalsContact CD-OG 3.29Å; E100-S139 WeakPolarHBondContact OE1-CB 3.27Å; E100-S139 PolarHBondContact OE1-OG 2.88Å |
| 101 | N | 91.5 | Very high | 92.1 | Very high | 97 Ų | 97 | 49.4 Ų | 49.4 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 176.1 | -63.1 | -35.3 | 0 | 0 | 0 | 112.2 | L99 I103 D104 L105 | L99-N101 PolarHBondContact O-N 3.05Å; N101-I103 VanDerWaalsContact C-N 3.32Å; N101-I103 PolarHBondContact O-N 3.47Å; N101-D104 PolarHBondContact O-N 3.21Å; N101-L105 WeakPolarHBondContact O-CB 3.3Å; N101-L105 WeakPolarHBondContact O-CG 3.41Å; N101-L105 PolarHBondContact O-N 3.27Å |
| 102 | S | 93.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 5% | 0.049 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.4 | -30.2 | -177.1 | -43.3 | 0 | 0 | 0 | 0 | 112.6 | L99 E100 S106 | L99-S102 PolarHBondContact O-N 3.33Å; L99-S102 VanDerWaalsContact O-N 3.13Å; E100-S102 PolarHBondContact O-N 2.95Å; S102-S106 PolarHBondContact O-N 2.78Å; S102-S106 PolarHBondContact O-OG 2.74Å |
| 103 | I | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -77.9 | -38.6 | 173.6 | -70.3 | 168.8 | 0 | 0 | 0 | 110.7 | L61 L75 L78 L99 E100 N101 S106 L107 V122 F136 | L61-I103 HydrophobicContact CD1-CG1 4.09Å; L75-I103 HydrophobicContact CD2-CG1 4.3Å; L78-I103 HydrophobicContact CD2-CD1 3.74Å; L99-I103 HydrophobicContact CB-CD1 3.79Å; L99-I103 HydrophobicContact CB-CG1 4.35Å; L99-I103 HydrophobicContact CD1-CD1 4.46Å; L99-I103 WeakPolarHBondContact O-CB 3.16Å; L99-I103 WeakPolarHBondContact O-CG1 3.38Å; L99-I103 PolarHBondContact O-N 3.25Å; E100-I103 PolarHBondContact O-N 3.03Å; N101-I103 VanDerWaalsContact C-N 3.32Å; N101-I103 PolarHBondContact O-N 3.47Å; I103-S106 CarbonylContact O-C 3.59Å; I103-S106 WeakPolarHBondContact O-CA 3.46Å; I103-S106 WeakPolarHBondContact O-CB 3.44Å; I103-S106 PolarHBondContact O-N 2.95Å; I103-S106 VanDerWaalsContact O-N 3.1Å; I103-L107 WeakPolarHBondContact O-CG 3.43Å; I103-L107 PolarHBondContact O-N 3.01Å; I103-V122 HydrophobicContact CG2-CG2 3.79Å; I103-F136 HydrophobicContact CB-CZ 4Å; I103-F136 HydrophobicContact CD1-CE2 4.33Å; I103-F136 HydrophobicContact CD1-CZ 3.7Å; I103-F136 HydrophobicContact CG1-CZ 4.43Å; I103-F136 HydrophobicContact CG2-CE1 4.17Å; I103-F136 HydrophobicContact CG2-CZ 3.95Å |
| 104 | D | 93.8 | Very high | 92.7 | Very high | 23 Ų | 23 | 48 Ų | 48 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 173.9 | -168.6 | 61 | 0 | 0 | 0 | 112.3 | E100 N101 S106 L107 R108 T143 | E100-D104 PolarHBondContact O-N 2.86Å; N101-D104 PolarHBondContact O-N 3.21Å; D104-S106 PolarHBondContact O-N 2.92Å; D104-L107 WeakPolarHBondContact O-CB 3.47Å; D104-L107 PolarHBondContact O-N 3.16Å; D104-R108 WeakPolarHBondContact O-CG 3.36Å; D104-R108 PolarHBondContact O-N 2.93Å; D104-R108 IonicContact OD1-NE 3.63Å; D104-R108 IonicContact OD2-CZ 3.91Å; D104-R108 IonicContact OD2-NE 3.87Å; D104-R108 PolarHBondContact OD2-NE 3.44Å; D104-R108 IonicContact OD2-NH2 3.66Å; D104-R108 PolarHBondContact OD2-NH2 2.84Å; D104-T143 WeakPolarHBondContact OD1-CB 3.47Å; D104-T143 PolarHBondContact OD1-OG1 3.18Å |
| 105 | L | 92.5 | Very high | 93 | Very high | 103 Ų | 103 | 44.4 Ų | 44.4 | 54% | 0.539 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.3 | -37.1 | 169.8 | -72.7 | 171.5 | 0 | 0 | 0 | 112.2 | N101 R108 D109 | N101-L105 WeakPolarHBondContact O-CB 3.3Å; N101-L105 WeakPolarHBondContact O-CG 3.41Å; N101-L105 PolarHBondContact O-N 3.27Å; L105-R108 PolarHBondContact O-N 3.39Å; L105-D109 PolarHBondContact O-N 3.41Å |
| 106 | S | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.9 | -27 | 176.2 | -58.5 | 0 | 0 | 0 | 0 | 113.3 | S102 I103 D104 | S102-S106 PolarHBondContact O-N 2.78Å; S102-S106 PolarHBondContact O-OG 2.74Å; I103-S106 CarbonylContact O-C 3.59Å; I103-S106 WeakPolarHBondContact O-CA 3.46Å; I103-S106 WeakPolarHBondContact O-CB 3.44Å; I103-S106 PolarHBondContact O-N 2.95Å; I103-S106 VanDerWaalsContact O-N 3.1Å; D104-S106 PolarHBondContact O-N 2.92Å |
| 107 | L | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -75.8 | -24.4 | 170.7 | -69.5 | 169.6 | 0 | 0 | 0 | 112.8 | I103 D104 V115 A118 C119 V122 V140 T143 I144 | I103-L107 WeakPolarHBondContact O-CG 3.43Å; I103-L107 PolarHBondContact O-N 3.01Å; D104-L107 WeakPolarHBondContact O-CB 3.47Å; D104-L107 PolarHBondContact O-N 3.16Å; L107-V115 WeakPolarHBondContact O-CG2 3.38Å; L107-A118 HydrophobicContact CD2-CB 3.7Å; L107-A118 HydrophobicContact CG-CB 4.01Å; L107-C119 HydrophobicContact CD2-CB 4.48Å; L107-V122 HydrophobicContact CD1-CG2 4.28Å; L107-V140 HydrophobicContact CD1-CB 3.71Å; L107-V140 HydrophobicContact CD1-CG1 3.87Å; L107-T143 HydrophobicContact CB-CG2 3.66Å; L107-I144 HydrophobicContact CD1-CD1 4.4Å; L107-I144 HydrophobicContact CD1-CG1 4.11Å; L107-I144 HydrophobicContact CD2-CG1 4.5Å |
| 108 | R | 93.5 | Very high | 93.6 | Very high | 162 Ų | 162 | 43.4 Ų | 43.4 | 61% | 0.611 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -88.7 | -0.1 | 176.9 | -65.6 | -179.4 | -163.8 | -141.1 | 6.6 | 114.3 | D104 L105 T143 | D104-R108 WeakPolarHBondContact O-CG 3.36Å; D104-R108 PolarHBondContact O-N 2.93Å; D104-R108 IonicContact OD1-NE 3.63Å; D104-R108 IonicContact OD2-CZ 3.91Å; D104-R108 IonicContact OD2-NE 3.87Å; D104-R108 PolarHBondContact OD2-NE 3.44Å; D104-R108 IonicContact OD2-NH2 3.66Å; D104-R108 PolarHBondContact OD2-NH2 2.84Å; L105-R108 PolarHBondContact O-N 3.39Å; R108-T143 HydrophobicContact CG-CG2 3.63Å |
| 109 | D | 93.8 | Very high | 93.8 | Very high | 22 Ų | 22 | 40.7 Ų | 40.7 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | trans | -63 | 146.9 | -174.6 | -158.2 | -68.1 | 0 | 0 | 0 | 112.9 | R71 L105 R111 V114 V115 M155 | R71-D109 IonicContact CZ-OD2 2.65Å; R71-D109 IonicContact NH1-OD2 2.67Å; R71-D109 PolarHBondContact NH1-OD2 3.41Å; R71-D109 IonicContact NH2-OD2 2.72Å; R71-D109 PolarHBondContact NH2-OD2 3.45Å; L105-D109 PolarHBondContact O-N 3.41Å; D109-R111 VanDerWaalsContact C-N 3.29Å; D109-R111 PolarHBondContact O-N 3.46Å; D109-R111 VanDerWaalsContact OD1-CB 3.29Å; D109-R111 WeakPolarHBondContact OD1-CB 3.49Å; D109-R111 PolarHBondContact OD1-N 2.75Å; D109-V114 HydrophobicContact CB-CB 3.82Å; D109-V114 HydrophobicContact CB-CG1 3.81Å; D109-V115 HydrophobicContact CB-CG2 3.94Å; D109-V115 WeakPolarHBondContact O-CG2 3.42Å; D109-M155 WeakPolarHBondContact O-CE 3.46Å | ||
| 110 | L | 92.4 | Very high | 93.9 | Very high | 167 Ų | 167 | 40.7 Ų | 40.7 | 87% | 0.874 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -75 | -19 | 177.1 | -59.9 | 179.3 | 0 | 0 | 0 | 112.7 | M155 | L110-M155 VanDerWaalsContact C-CE 3.48Å; L110-M155 VanDerWaalsContact O-CE 3.22Å; L110-M155 WeakPolarHBondContact O-CE 3.34Å |
| 111 | R | 93.6 | Very high | 94.1 | Very high | 81 Ų | 81 | 39 Ų | 39 | 31% | 0.306 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -88.9 | 116 | 179.7 | -62.7 | 172.8 | 167.9 | 100.5 | -5.7 | 110 | P65 E66 W68 D109 S113 V114 V115 | P65-R111 PolarHBondContact O-NH1 3.15Å; E66-R111 IonicContact OE2-CZ 2.71Å; E66-R111 IonicContact OE2-NH1 2.78Å; E66-R111 IonicContact OE2-NH2 3.19Å; E66-R111 PolarHBondContact OE2-NH2 2.67Å; W68-R111 VanDerWaalsContact CG-CD 3.45Å; D109-R111 VanDerWaalsContact C-N 3.29Å; D109-R111 PolarHBondContact O-N 3.46Å; D109-R111 VanDerWaalsContact OD1-CB 3.29Å; D109-R111 WeakPolarHBondContact OD1-CB 3.49Å; D109-R111 PolarHBondContact OD1-N 2.75Å; R111-S113 PolarHBondContact O-N 2.78Å; R111-V114 HydrophobicContact CB-CG2 4.02Å; R111-V114 PolarHBondContact O-N 2.93Å; R111-V115 PolarHBondContact O-N 3.37Å |
| 112 | S | 92.9 | Very high | 94.3 | Very high | 37 Ų | 37 | 34.4 Ų | 34.4 | 26% | 0.259 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.1 | -18.7 | -178.3 | -49.6 | 0 | 0 | 0 | 0 | 114.1 | R116 | S112-R116 WeakPolarHBondContact O-CB 3.45Å; S112-R116 PolarHBondContact O-N 3.5Å |
| 113 | S | 91.9 | Very high | 94.4 | Very high | 48 Ų | 48 | 34 Ų | 34 | 34% | 0.336 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64 | -51.8 | 170.5 | 46.4 | 0 | 0 | 0 | 0 | 111.9 | W68 R111 R116 E117 | W68-S113 WeakPolarHBondContact CZ3-OG 3.43Å; R111-S113 PolarHBondContact O-N 2.78Å; S113-R116 PolarHBondContact O-N 2.73Å; S113-E117 WeakPolarHBondContact O-CB 3.45Å; S113-E117 PolarHBondContact O-N 3.09Å |
| 114 | V | 94.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -49.7 | 179.8 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | W68 V72 D109 R111 R116 E117 A118 | W68-V114 HydrophobicContact CB-CG2 3.84Å; W68-V114 HydrophobicContact CE3-CG2 4Å; V72-V114 HydrophobicContact CG2-CB 4.49Å; V72-V114 HydrophobicContact CG2-CG2 4.11Å; D109-V114 HydrophobicContact CB-CB 3.82Å; D109-V114 HydrophobicContact CB-CG1 3.81Å; R111-V114 HydrophobicContact CB-CG2 4.02Å; R111-V114 PolarHBondContact O-N 2.93Å; V114-R116 PolarHBondContact O-N 3.48Å; V114-E117 PolarHBondContact O-N 2.96Å; V114-A118 WeakPolarHBondContact O-CB 3.45Å; V114-A118 PolarHBondContact O-N 2.91Å |
| 115 | V | 95.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 179.9 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | L107 D109 R111 E117 A118 C119 L147 M155 | L107-V115 WeakPolarHBondContact O-CG2 3.38Å; D109-V115 HydrophobicContact CB-CG2 3.94Å; D109-V115 WeakPolarHBondContact O-CG2 3.42Å; R111-V115 PolarHBondContact O-N 3.37Å; V115-E117 VanDerWaalsContact C-N 3.33Å; V115-E117 PolarHBondContact O-N 3.19Å; V115-A118 PolarHBondContact O-N 2.93Å; V115-C119 WeakPolarHBondContact O-CB 3.5Å; V115-C119 PolarHBondContact O-N 2.77Å; V115-C119 PolarHBondContact O-SG 3.12Å; V115-L147 HydrophobicContact CG1-CD1 3.58Å; V115-L147 HydrophobicContact CG1-CD2 3.87Å; V115-L147 HydrophobicContact CG1-CG 4.39Å; V115-M155 HydrophobicContact CB-CE 4.33Å; V115-M155 HydrophobicContact CB-CG 4.09Å; V115-M155 HydrophobicContact CG1-CB 4.23Å; V115-M155 HydrophobicContact CG1-CG 3.99Å; V115-M155 HydrophobicContact CG2-CE 3.81Å; V115-M155 HydrophobicContact CG2-CG 4.48Å |
| 116 | R | 94.3 | Very high | 94.5 | Very high | 57 Ų | 57 | 28.2 Ų | 28.2 | 22% | 0.215 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 174.8 | 174 | -174.4 | 170.5 | -72.7 | -4.1 | 110.5 | S35 S112 S113 V114 C119 I120 V154 | S35-R116 PolarHBondContact OG-NH2 2.89Å; S112-R116 WeakPolarHBondContact O-CB 3.45Å; S112-R116 PolarHBondContact O-N 3.5Å; S113-R116 PolarHBondContact O-N 2.73Å; V114-R116 PolarHBondContact O-N 3.48Å; R116-C119 PolarHBondContact O-N 3.43Å; R116-I120 HydrophobicContact CG-CD1 3.76Å; R116-I120 WeakPolarHBondContact O-CD1 3.38Å; R116-I120 VanDerWaalsContact O-CG1 3.25Å; R116-I120 WeakPolarHBondContact O-CG1 3.34Å; R116-I120 PolarHBondContact O-N 2.99Å; R116-V154 HydrophobicContact CB-CG1 4.08Å; R116-V154 HydrophobicContact CG-CG1 4.49Å |
| 117 | E | 94.3 | Very high | 94.4 | Very high | 14 Ų | 14 | 29.8 Ų | 29.8 | 7% | 0.065 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.2 | -38.7 | -177.9 | -157.2 | 65.5 | -163.4 | 0 | 0 | 112 | V72 L75 K76 R79 S113 V114 V115 I120 T121 | V72-E117 HydrophobicContact CG1-CG 4.22Å; V72-E117 HydrophobicContact CG2-CB 4.28Å; L75-E117 HydrophobicContact CB-CG 4.02Å; L75-E117 HydrophobicContact CD1-CB 4.06Å; L75-E117 HydrophobicContact CD1-CG 4.28Å; K76-E117 VanDerWaalsContact CG-OE1 3.25Å; K76-E117 WeakPolarHBondContact CG-OE1 3.38Å; R79-E117 IonicContact CZ-OE1 3.54Å; R79-E117 IonicContact NH1-OE1 3.54Å; R79-E117 PolarHBondContact NH1-OE1 3.39Å; R79-E117 IonicContact NH2-OE1 3.82Å; R79-E117 PolarHBondContact NH2-OE1 3.2Å; S113-E117 WeakPolarHBondContact O-CB 3.45Å; S113-E117 PolarHBondContact O-N 3.09Å; V114-E117 PolarHBondContact O-N 2.96Å; V115-E117 VanDerWaalsContact C-N 3.33Å; V115-E117 PolarHBondContact O-N 3.19Å; E117-I120 PolarHBondContact O-N 3.23Å; E117-T121 PolarHBondContact O-N 2.94Å; E117-T121 PolarHBondContact O-OG1 3.31Å |
| 118 | A | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L75 L107 V114 V115 I120 T121 V122 | L75-A118 HydrophobicContact CD1-CB 3.91Å; L75-A118 HydrophobicContact CD2-CB 4.45Å; L107-A118 HydrophobicContact CD2-CB 3.7Å; L107-A118 HydrophobicContact CG-CB 4.01Å; V114-A118 WeakPolarHBondContact O-CB 3.45Å; V114-A118 PolarHBondContact O-N 2.91Å; V115-A118 PolarHBondContact O-N 2.93Å; A118-I120 VanDerWaalsContact C-N 3.34Å; A118-I120 PolarHBondContact O-N 3.03Å; A118-T121 PolarHBondContact O-N 3.33Å; A118-V122 WeakPolarHBondContact O-CG2 3.31Å; A118-V122 PolarHBondContact O-N 2.84Å |
| 119 | C | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60 | -42 | 173.1 | -70.6 | 0 | 0 | 0 | 0 | 112 | F32 L107 V115 R116 V122 A123 A162 | F32-C119 HydrophobicContact CE1-CB 4.08Å; F32-C119 WeakPolarHBondContact CE1-O 3.45Å; F32-C119 HydrophobicContact CZ-CB 3.76Å; L107-C119 HydrophobicContact CD2-CB 4.48Å; V115-C119 WeakPolarHBondContact O-CB 3.5Å; V115-C119 PolarHBondContact O-N 2.77Å; V115-C119 PolarHBondContact O-SG 3.12Å; R116-C119 PolarHBondContact O-N 3.43Å; C119-V122 PolarHBondContact O-N 2.92Å; C119-A123 VanDerWaalsContact O-CB 3.29Å; C119-A123 WeakPolarHBondContact O-CB 3.31Å; C119-A123 PolarHBondContact O-N 2.97Å; C119-A162 HydrophobicContact CB-CB 3.99Å |
| 120 | I | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 176.7 | -72 | 163.3 | 0 | 0 | 0 | 111 | F32 F36 R116 E117 A118 A123 F124 | F32-I120 HydrophobicContact CD1-CB 4.41Å; F32-I120 HydrophobicContact CD1-CG1 3.8Å; F32-I120 HydrophobicContact CD2-CD1 4.45Å; F32-I120 HydrophobicContact CD2-CG1 3.82Å; F32-I120 HydrophobicContact CE1-CB 4.41Å; F32-I120 HydrophobicContact CE1-CG1 3.8Å; F32-I120 HydrophobicContact CE2-CD1 4.48Å; F32-I120 HydrophobicContact CE2-CG1 3.81Å; F32-I120 HydrophobicContact CG-CG1 3.81Å; F32-I120 HydrophobicContact CZ-CG1 3.8Å; F36-I120 HydrophobicContact CD1-CG2 4.07Å; R116-I120 HydrophobicContact CG-CD1 3.76Å; R116-I120 WeakPolarHBondContact O-CD1 3.38Å; R116-I120 VanDerWaalsContact O-CG1 3.25Å; R116-I120 WeakPolarHBondContact O-CG1 3.34Å; R116-I120 PolarHBondContact O-N 2.99Å; E117-I120 PolarHBondContact O-N 3.23Å; A118-I120 VanDerWaalsContact C-N 3.34Å; A118-I120 PolarHBondContact O-N 3.03Å; I120-A123 PolarHBondContact O-N 2.95Å; I120-F124 WeakPolarHBondContact O-CB 3.46Å; I120-F124 PolarHBondContact O-N 3.26Å |
| 121 | T | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.7 | -43.6 | 174.8 | -68 | 0 | 0 | 0 | 0 | 112.5 | L75 L78 R79 E117 A118 F124 L125 | L75-T121 HydrophobicContact CD2-CG2 4.23Å; L75-T121 PolarHBondContact O-OG1 3.26Å; L75-T121 VanDerWaalsContact O-OG1 3.08Å; L78-T121 HydrophobicContact CD2-CG2 3.86Å; L78-T121 HydrophobicContact CG-CG2 4.46Å; R79-T121 WeakPolarHBondContact CD-OG1 3.36Å; R79-T121 HydrophobicContact CG-CG2 4.08Å; R79-T121 WeakPolarHBondContact CG-OG1 3.47Å; R79-T121 PolarHBondContact NH1-OG1 3.07Å; E117-T121 PolarHBondContact O-N 2.94Å; E117-T121 PolarHBondContact O-OG1 3.31Å; A118-T121 PolarHBondContact O-N 3.33Å; T121-F124 PolarHBondContact O-N 3.16Å; T121-L125 HydrophobicContact CG2-CD1 3.82Å; T121-L125 HydrophobicContact CG2-CG 4.36Å; T121-L125 WeakPolarHBondContact O-CB 3.39Å; T121-L125 WeakPolarHBondContact O-CD1 3.23Å; T121-L125 WeakPolarHBondContact O-CG 3.44Å; T121-L125 PolarHBondContact O-N 3.31Å |
| 122 | V | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 174.7 | 167.7 | 0 | 0 | 0 | 0 | 112.2 | I103 L107 A118 C119 L125 S126 F133 F136 V140 I144 I166 | I103-V122 HydrophobicContact CG2-CG2 3.79Å; L107-V122 HydrophobicContact CD1-CG2 4.28Å; A118-V122 WeakPolarHBondContact O-CG2 3.31Å; A118-V122 PolarHBondContact O-N 2.84Å; C119-V122 PolarHBondContact O-N 2.92Å; V122-L125 PolarHBondContact O-N 2.69Å; V122-S126 WeakPolarHBondContact O-CB 3.19Å; V122-S126 PolarHBondContact O-N 3.06Å; V122-F133 HydrophobicContact CG1-CE1 4.09Å; V122-F133 HydrophobicContact CG1-CZ 4.04Å; V122-F136 HydrophobicContact CG2-CE1 4.29Å; V122-V140 HydrophobicContact CG1-CG2 4.15Å; V122-I144 HydrophobicContact CG1-CD1 3.96Å; V122-I166 HydrophobicContact CG1-CD1 3.87Å; V122-I166 HydrophobicContact CG1-CG1 4.3Å |
| 123 | A | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.5 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F32 F36 C119 I120 Q127 F165 | F32-A123 HydrophobicContact CD1-CB 3.58Å; F32-A123 HydrophobicContact CE1-CB 3.76Å; F36-A123 HydrophobicContact CE1-CB 3.81Å; F36-A123 HydrophobicContact CZ-CB 3.94Å; C119-A123 VanDerWaalsContact O-CB 3.29Å; C119-A123 WeakPolarHBondContact O-CB 3.31Å; C119-A123 PolarHBondContact O-N 2.97Å; I120-A123 PolarHBondContact O-N 2.95Å; A123-Q127 PolarHBondContact O-N 3.02Å; A123-Q127 VanDerWaalsContact O-N 3.11Å; A123-F165 HydrophobicContact CB-CB 3.69Å; A123-F165 HydrophobicContact CB-CD2 3.85Å; A123-F165 HydrophobicContact CB-CG 3.77Å |
| 124 | F | 94.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.018 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.5 | -48.6 | 175.2 | -179.3 | -118.5 | 0 | 0 | 0 | 111.8 | F36 I37 R79 V82 A83 I120 T121 S126 Q127 E128 | F36-F124 HydrophobicContact CB-CB 4.44Å; F36-F124 HydrophobicContact CB-CD2 3.6Å; F36-F124 HydrophobicContact CB-CE2 4.15Å; F36-F124 HydrophobicContact CB-CG 4.2Å; F36-F124 HydrophobicContact CD1-CB 3.79Å; F36-F124 HydrophobicContact CD1-CD2 4.34Å; F36-F124 HydrophobicContact CD1-CG 4.45Å; F36-F124 HydrophobicContact CD2-CB 4.47Å; F36-F124 AromaticContact CD2-CD2 3.75Å; F36-F124 HydrophobicContact CD2-CD2 3.75Å; F36-F124 HydrophobicContact CE1-CB 4.06Å; F36-F124 HydrophobicContact CE2-CD2 4.47Å; F36-F124 HydrophobicContact CG-CB 4Å; F36-F124 AromaticContact CG-CD2 3.67Å; F36-F124 HydrophobicContact CG-CD2 3.67Å; F36-F124 HydrophobicContact CG-CG 4.19Å; I37-F124 HydrophobicContact CG1-CE2 4.49Å; R79-F124 HydrophobicContact CB-CD1 3.71Å; R79-F124 HydrophobicContact CB-CE1 3.91Å; R79-F124 HydrophobicContact CG-CB 4.47Å; R79-F124 HydrophobicContact CG-CD1 3.7Å; R79-F124 HydrophobicContact CG-CE1 4.4Å; R79-F124 HydrophobicContact CG-CG 4.4Å; R79-F124 WeakPolarHBondContact O-CE1 3.39Å; V82-F124 HydrophobicContact CB-CE1 3.92Å; V82-F124 HydrophobicContact CG1-CD1 4.43Å; V82-F124 HydrophobicContact CG1-CE1 3.68Å; V82-F124 HydrophobicContact CG1-CZ 4.2Å; A83-F124 HydrophobicContact CB-CE1 4.41Å; A83-F124 HydrophobicContact CB-CZ 3.9Å; I120-F124 WeakPolarHBondContact O-CB 3.46Å; I120-F124 PolarHBondContact O-N 3.26Å; T121-F124 PolarHBondContact O-N 3.16Å; F124-S126 VanDerWaalsContact C-N 3.29Å; F124-S126 PolarHBondContact O-N 2.97Å; F124-Q127 PolarHBondContact O-N 2.85Å; F124-E128 HydrophobicContact CD2-CG 3.93Å; F124-E128 HydrophobicContact CE1-CG 4.25Å; F124-E128 HydrophobicContact CE2-CG 3.45Å; F124-E128 VanDerWaalsContact CE2-CG 3.45Å; F124-E128 HydrophobicContact CZ-CG 3.64Å; F124-E128 PolarHBondContact O-N 2.94Å |
| 125 | L | 94.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.3 | -43.7 | 176.2 | -71.8 | 166.5 | 0 | 0 | 0 | 111.2 | L78 V82 F92 L96 T121 V122 Q127 E128 I129 F133 | L78-L125 HydrophobicContact CD2-CD1 4.18Å; V82-L125 HydrophobicContact CG2-CD2 4.09Å; F92-L125 HydrophobicContact CZ-CD2 4.38Å; L96-L125 HydrophobicContact CD1-CD1 4.05Å; L96-L125 HydrophobicContact CD1-CD2 4.1Å; L96-L125 HydrophobicContact CD2-CD2 4.2Å; T121-L125 HydrophobicContact CG2-CD1 3.82Å; T121-L125 HydrophobicContact CG2-CG 4.36Å; T121-L125 WeakPolarHBondContact O-CB 3.39Å; T121-L125 WeakPolarHBondContact O-CD1 3.23Å; T121-L125 WeakPolarHBondContact O-CG 3.44Å; T121-L125 PolarHBondContact O-N 3.31Å; V122-L125 PolarHBondContact O-N 2.69Å; L125-Q127 PolarHBondContact O-N 3.36Å; L125-E128 PolarHBondContact O-N 2.86Å; L125-I129 HydrophobicContact CB-CD1 4.09Å; L125-I129 HydrophobicContact CD2-CD1 3.78Å; L125-I129 WeakPolarHBondContact O-CB 3.27Å; L125-I129 WeakPolarHBondContact O-CG1 3.46Å; L125-I129 PolarHBondContact O-N 3.33Å; L125-F133 HydrophobicContact CB-CD2 4.15Å; L125-F133 HydrophobicContact CB-CE2 3.54Å; L125-F133 HydrophobicContact CB-CZ 3.92Å; L125-F133 HydrophobicContact CD1-CE2 4.3Å |
| 126 | S | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 174.5 | 179.4 | 0 | 0 | 0 | 0 | 113 | V122 F124 R130 F165 I166 N169 T170 | V122-S126 WeakPolarHBondContact O-CB 3.19Å; V122-S126 PolarHBondContact O-N 3.06Å; F124-S126 VanDerWaalsContact C-N 3.29Å; F124-S126 PolarHBondContact O-N 2.97Å; S126-R130 WeakPolarHBondContact O-CA 3.32Å; S126-R130 PolarHBondContact O-N 3.43Å; S126-F165 PolarHBondContact OG-O 3.27Å; S126-I166 WeakPolarHBondContact OG-CA 3.42Å; S126-N169 WeakPolarHBondContact O-CB 3.48Å; S126-T170 PolarHBondContact OG-OG1 2.89Å |
| 127 | Q | 92.8 | Very high | 92.9 | Very high | 32 Ų | 32 | 30.7 Ų | 30.7 | 15% | 0.15 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 179 | -168.8 | -175.6 | -102.5 | 0 | 0 | 112.6 | A123 F124 L125 R130 | A123-Q127 PolarHBondContact O-N 3.02Å; A123-Q127 VanDerWaalsContact O-N 3.11Å; F124-Q127 PolarHBondContact O-N 2.85Å; L125-Q127 PolarHBondContact O-N 3.36Å; Q127-R130 VanDerWaalsContact O-CG 3.24Å; Q127-R130 WeakPolarHBondContact O-CG 3.48Å |
| 128 | E | 91.6 | Very high | 92.9 | Very high | 79 Ų | 79 | 32.1 Ų | 32.1 | 37% | 0.369 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -81.8 | -33.7 | -175.3 | -54.3 | -46.9 | 127.7 | 0 | 0 | 112.9 | V82 L87 F124 L125 | V82-E128 HydrophobicContact CG1-CB 4.24Å; V82-E128 HydrophobicContact CG1-CG 4.32Å; L87-E128 HydrophobicContact CD1-CB 3.67Å; F124-E128 HydrophobicContact CD2-CG 3.93Å; F124-E128 HydrophobicContact CE1-CG 4.25Å; F124-E128 HydrophobicContact CE2-CG 3.45Å; F124-E128 VanDerWaalsContact CE2-CG 3.45Å; F124-E128 HydrophobicContact CZ-CG 3.64Å; F124-E128 PolarHBondContact O-N 2.94Å; L125-E128 PolarHBondContact O-N 2.86Å |
| 129 | I | 90.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -90.4 | -24 | -177.2 | -56.8 | 172.6 | 0 | 0 | 0 | 111.7 | L87 F92 I93 L96 L125 N131 R132 F133 | L87-I129 HydrophobicContact CD1-CG1 4.44Å; L87-I129 HydrophobicContact CD2-CD1 4.34Å; L87-I129 HydrophobicContact CD2-CG1 3.68Å; F92-I129 HydrophobicContact CE1-CD1 4.04Å; I93-I129 HydrophobicContact CD1-CD1 4.49Å; I93-I129 HydrophobicContact CD1-CG2 3.98Å; L96-I129 HydrophobicContact CD2-CD1 3.35Å; L125-I129 HydrophobicContact CB-CD1 4.09Å; L125-I129 HydrophobicContact CD2-CD1 3.78Å; L125-I129 WeakPolarHBondContact O-CB 3.27Å; L125-I129 WeakPolarHBondContact O-CG1 3.46Å; L125-I129 PolarHBondContact O-N 3.33Å; I129-N131 PolarHBondContact O-N 2.96Å; I129-R132 VanDerWaalsContact CG2-C 3.47Å; I129-R132 HydrophobicContact CG2-CB 3.54Å; I129-R132 PolarHBondContact O-N 3.2Å; I129-R132 VanDerWaalsContact O-N 3.14Å; I129-F133 HydrophobicContact CB-CB 4.08Å; I129-F133 HydrophobicContact CB-CD2 4.49Å; I129-F133 HydrophobicContact CD1-CD2 4.09Å; I129-F133 HydrophobicContact CG2-CB 3.91Å |
| 130 | R | 91.2 | Very high | 92.6 | Very high | 165 Ų | 165 | 34.4 Ų | 34.4 | 62% | 0.623 | 16% | 0.155 | S | C | * | . | G | 310 helix | trans | 54.1 | -121.5 | 178.4 | -55.6 | -175.3 | -176.9 | -171.8 | 2.8 | 112.8 | S126 Q127 R132 F133 N169 T170 | S126-R130 WeakPolarHBondContact O-CA 3.32Å; S126-R130 PolarHBondContact O-N 3.43Å; Q127-R130 VanDerWaalsContact O-CG 3.24Å; Q127-R130 WeakPolarHBondContact O-CG 3.48Å; R130-R132 VanDerWaalsContact C-N 3.28Å; R130-R132 PolarHBondContact O-N 3.09Å; R130-F133 VanDerWaalsContact O-CB 3.23Å; R130-F133 WeakPolarHBondContact O-CB 3.36Å; R130-F133 PolarHBondContact O-N 2.9Å; R130-N169 CarbonylContact C-O 3.35Å; R130-N169 VanDerWaalsContact C-O 3.23Å; R130-N169 WeakPolarHBondContact CA-O 3.29Å; R130-N169 WeakPolarHBondContact CB-O 3.37Å; R130-T170 PolarHBondContact O-OG1 3.1Å |
| 131 | N | 88.1 | Confident | 92.5 | Very high | 96 Ų | 96 | 34.4 Ų | 34.4 | 51% | 0.513 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -71.8 | -15.9 | -178.8 | -67.9 | -24 | 0 | 0 | 0 | 113.8 | I129 F133 D134 N169 C171 | I129-N131 PolarHBondContact O-N 2.96Å; N131-F133 PolarHBondContact O-N 2.9Å; N131-D134 PolarHBondContact O-N 2.98Å; N131-N169 PolarHBondContact OD1-O 3.15Å; N131-C171 PolarHBondContact OD1-N 3.29Å |
| 132 | R | 88.3 | Confident | 92.4 | Very high | 144 Ų | 144 | 38.6 Ų | 38.6 | 54% | 0.543 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -74.3 | -4.3 | 171.5 | -64.3 | -168.5 | -63.7 | 177 | 0.4 | 112.8 | I129 R130 | I129-R132 VanDerWaalsContact CG2-C 3.47Å; I129-R132 HydrophobicContact CG2-CB 3.54Å; I129-R132 PolarHBondContact O-N 3.2Å; I129-R132 VanDerWaalsContact O-N 3.14Å; R130-R132 VanDerWaalsContact C-N 3.28Å; R130-R132 PolarHBondContact O-N 3.09Å |
| 133 | F | 91.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -91.9 | 1.6 | 177.5 | -164.4 | -116.9 | 0 | 0 | 0 | 112.2 | V122 L125 I129 R130 N131 R135 F136 A137 I166 T170 | V122-F133 HydrophobicContact CG1-CE1 4.09Å; V122-F133 HydrophobicContact CG1-CZ 4.04Å; L125-F133 HydrophobicContact CB-CD2 4.15Å; L125-F133 HydrophobicContact CB-CE2 3.54Å; L125-F133 HydrophobicContact CB-CZ 3.92Å; L125-F133 HydrophobicContact CD1-CE2 4.3Å; I129-F133 HydrophobicContact CB-CB 4.08Å; I129-F133 HydrophobicContact CB-CD2 4.49Å; I129-F133 HydrophobicContact CD1-CD2 4.09Å; I129-F133 HydrophobicContact CG2-CB 3.91Å; R130-F133 VanDerWaalsContact O-CB 3.23Å; R130-F133 WeakPolarHBondContact O-CB 3.36Å; R130-F133 PolarHBondContact O-N 2.9Å; N131-F133 PolarHBondContact O-N 2.9Å; F133-R135 VanDerWaalsContact C-N 3.35Å; F133-R135 PolarHBondContact O-N 2.76Å; F133-F136 HydrophobicContact CD2-CB 3.89Å; F133-F136 HydrophobicContact CD2-CD1 4.32Å; F133-F136 HydrophobicContact CD2-CG 4.22Å; F133-F136 HydrophobicContact CE1-CD1 4.25Å; F133-F136 HydrophobicContact CE2-CB 3.76Å; F133-F136 AromaticContact CE2-CD1 3.34Å; F133-F136 HydrophobicContact CE2-CD1 3.34Å; F133-F136 HydrophobicContact CE2-CD2 4.43Å; F133-F136 HydrophobicContact CE2-CE1 4.04Å; F133-F136 AromaticContact CE2-CG 3.59Å; F133-F136 HydrophobicContact CE2-CG 3.59Å; F133-F136 HydrophobicContact CG-CB 4.5Å; F133-F136 HydrophobicContact CZ-CB 4.27Å; F133-F136 AromaticContact CZ-CD1 3.3Å; F133-F136 HydrophobicContact CZ-CD1 3.3Å; F133-F136 AromaticContact CZ-CE1 3.91Å; F133-F136 HydrophobicContact CZ-CE1 3.91Å; F133-F136 HydrophobicContact CZ-CG 4.02Å; F133-F136 PolarHBondContact O-N 3.2Å; F133-A137 HydrophobicContact CD1-CB 3.76Å; F133-A137 HydrophobicContact CE1-CB 4Å; F133-A137 VanDerWaalsContact O-CB 3.26Å; F133-A137 WeakPolarHBondContact O-CB 3.41Å; F133-A137 PolarHBondContact O-N 3.27Å; F133-I166 HydrophobicContact CE1-CG1 4.5Å; F133-T170 HydrophobicContact CB-CG2 4.22Å |
| 134 | D | 90 | Very high | 92.4 | Very high | 41 Ų | 41 | 39.2 Ų | 39.2 | 22% | 0.219 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -52.7 | -46.8 | -171.9 | 71.9 | -49 | 0 | 0 | 0 | 113.6 | N131 E138 T170 | N131-D134 PolarHBondContact O-N 2.98Å; D134-E138 WeakPolarHBondContact O-CB 3.49Å; D134-E138 PolarHBondContact O-N 3.47Å; D134-T170 HydrophobicContact CB-CG2 4.28Å |
| 135 | R | 89.6 | Confident | 92.4 | Very high | 51 Ų | 51 | 39.3 Ų | 39.3 | 19% | 0.192 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71 | -40.6 | -177 | -59 | -168.7 | 167.8 | -167.3 | -4.4 | 112.7 | F133 E138 E863 | F133-R135 VanDerWaalsContact C-N 3.35Å; F133-R135 PolarHBondContact O-N 2.76Å; R135-E138 PolarHBondContact O-N 3.38Å; R135-E863 VanDerWaalsContact CB-OE1 3.3Å; R135-E863 WeakPolarHBondContact CB-OE1 3.43Å; R135-E863 WeakPolarHBondContact CD-OE1 3.43Å; R135-E863 VanDerWaalsContact NH1-CB 3.3Å; R135-E863 PolarHBondContact NH1-O 3.17Å; R135-E863 IonicContact NH1-OE1 3.81Å |
| 136 | F | 92.1 | Very high | 92.4 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.2 | -40.7 | 177.4 | -166.4 | -69.5 | 0 | 0 | 0 | 111.1 | L96 E100 I103 V122 F133 E138 S139 V140 | L96-F136 HydrophobicContact CD1-CE2 4.18Å; L96-F136 HydrophobicContact CG-CD2 4.13Å; L96-F136 HydrophobicContact CG-CE2 4.14Å; E100-F136 HydrophobicContact CB-CD2 4.22Å; E100-F136 HydrophobicContact CB-CE2 3.93Å; E100-F136 HydrophobicContact CG-CD2 4.17Å; E100-F136 HydrophobicContact CG-CE2 4.18Å; I103-F136 HydrophobicContact CB-CZ 4Å; I103-F136 HydrophobicContact CD1-CE2 4.33Å; I103-F136 HydrophobicContact CD1-CZ 3.7Å; I103-F136 HydrophobicContact CG1-CZ 4.43Å; I103-F136 HydrophobicContact CG2-CE1 4.17Å; I103-F136 HydrophobicContact CG2-CZ 3.95Å; V122-F136 HydrophobicContact CG2-CE1 4.29Å; F133-F136 HydrophobicContact CD2-CB 3.89Å; F133-F136 HydrophobicContact CD2-CD1 4.32Å; F133-F136 HydrophobicContact CD2-CG 4.22Å; F133-F136 HydrophobicContact CE1-CD1 4.25Å; F133-F136 HydrophobicContact CE2-CB 3.76Å; F133-F136 AromaticContact CE2-CD1 3.34Å; F133-F136 HydrophobicContact CE2-CD1 3.34Å; F133-F136 HydrophobicContact CE2-CD2 4.43Å; F133-F136 HydrophobicContact CE2-CE1 4.04Å; F133-F136 AromaticContact CE2-CG 3.59Å; F133-F136 HydrophobicContact CE2-CG 3.59Å; F133-F136 HydrophobicContact CG-CB 4.5Å; F133-F136 HydrophobicContact CZ-CB 4.27Å; F133-F136 AromaticContact CZ-CD1 3.3Å; F133-F136 HydrophobicContact CZ-CD1 3.3Å; F133-F136 AromaticContact CZ-CE1 3.91Å; F133-F136 HydrophobicContact CZ-CE1 3.91Å; F133-F136 HydrophobicContact CZ-CG 4.02Å; F133-F136 PolarHBondContact O-N 3.2Å; F136-E138 PolarHBondContact O-N 3.35Å; F136-S139 PolarHBondContact O-OG 2.93Å; F136-V140 HydrophobicContact CD1-CG1 4.16Å; F136-V140 HydrophobicContact CD1-CG2 4.48Å; F136-V140 HydrophobicContact CE1-CG1 3.77Å; F136-V140 WeakPolarHBondContact O-CG2 3.48Å; F136-V140 PolarHBondContact O-N 2.64Å |
| 137 | A | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.6 | -37.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F133 L141 I166 T170 L175 | F133-A137 HydrophobicContact CD1-CB 3.76Å; F133-A137 HydrophobicContact CE1-CB 4Å; F133-A137 VanDerWaalsContact O-CB 3.26Å; F133-A137 WeakPolarHBondContact O-CB 3.41Å; F133-A137 PolarHBondContact O-N 3.27Å; A137-L141 WeakPolarHBondContact O-CA 3.29Å; A137-L141 WeakPolarHBondContact O-CB 3.42Å; A137-L141 WeakPolarHBondContact O-CD1 3.3Å; A137-L141 PolarHBondContact O-N 2.76Å; A137-I166 HydrophobicContact CB-CG2 3.94Å; A137-T170 HydrophobicContact CB-CG2 4.13Å; A137-L175 HydrophobicContact CB-CD1 4.42Å; A137-L175 HydrophobicContact CB-CD2 4.15Å |
| 138 | E | 92.5 | Very high | 92.6 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 21% | 0.206 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.9 | -42.4 | -176.4 | -170.6 | 175.9 | 148.1 | 0 | 0 | 113.7 | D134 R135 F136 L141 R174 L175 I178 | D134-E138 WeakPolarHBondContact O-CB 3.49Å; D134-E138 PolarHBondContact O-N 3.47Å; R135-E138 PolarHBondContact O-N 3.38Å; F136-E138 PolarHBondContact O-N 3.35Å; E138-L141 WeakPolarHBondContact O-CB 3.31Å; E138-L141 PolarHBondContact O-N 3.17Å; E138-R174 HydrophobicContact CG-CB 4.48Å; E138-R174 IonicContact OE1-CZ 3.94Å; E138-R174 IonicContact OE1-NE 2.69Å; E138-R174 PolarHBondContact OE1-NE 3.35Å; E138-R174 IonicContact OE1-NH2 3.28Å; E138-R174 PolarHBondContact OE1-NH2 3.41Å; E138-R174 WeakPolarHBondContact OE2-CB 3.47Å; E138-R174 VanDerWaalsContact OE2-CD 3.23Å; E138-R174 WeakPolarHBondContact OE2-CD 3.41Å; E138-R174 IonicContact OE2-CZ 3.12Å; E138-R174 IonicContact OE2-NE 3.81Å; E138-R174 PolarHBondContact OE2-NE 2.81Å; E138-R174 IonicContact OE2-NH1 2.72Å; E138-R174 PolarHBondContact OE2-NH1 3.49Å; E138-R174 IonicContact OE2-NH2 3.33Å; E138-R174 PolarHBondContact OE2-NH2 2.93Å; E138-R174 VanDerWaalsContact OE2-NH2 3.07Å; E138-L175 HydrophobicContact CB-CD2 3.96Å; E138-L175 HydrophobicContact CG-CD2 4.47Å; E138-I178 HydrophobicContact CG-CD1 3.63Å |
| 139 | S | 92.1 | Very high | 92.6 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 33% | 0.329 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -71.2 | -45 | 179.1 | 49.4 | 0 | 0 | 0 | 0 | 112.1 | E100 F136 L141 | E100-S139 VanDerWaalsContact CD-OG 3.29Å; E100-S139 WeakPolarHBondContact OE1-CB 3.27Å; E100-S139 PolarHBondContact OE1-OG 2.88Å; F136-S139 PolarHBondContact O-OG 2.93Å; S139-L141 PolarHBondContact O-N 2.6Å |
| 140 | V | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.5 | -16.4 | 175.2 | -55.5 | 0 | 0 | 0 | 0 | 113.4 | L107 V122 F136 Q142 T143 I144 | L107-V140 HydrophobicContact CD1-CB 3.71Å; L107-V140 HydrophobicContact CD1-CG1 3.87Å; V122-V140 HydrophobicContact CG1-CG2 4.15Å; F136-V140 HydrophobicContact CD1-CG1 4.16Å; F136-V140 HydrophobicContact CD1-CG2 4.48Å; F136-V140 HydrophobicContact CE1-CG1 3.77Å; F136-V140 WeakPolarHBondContact O-CG2 3.48Å; F136-V140 PolarHBondContact O-N 2.64Å; V140-Q142 VanDerWaalsContact C-N 3.3Å; V140-Q142 PolarHBondContact O-N 2.8Å; V140-T143 WeakPolarHBondContact O-CB 3.39Å; V140-T143 PolarHBondContact O-N 3.49Å; V140-T143 VanDerWaalsContact O-N 3.17Å; V140-I144 HydrophobicContact CB-CD1 4.27Å; V140-I144 HydrophobicContact CG2-CD1 3.77Å; V140-I144 WeakPolarHBondContact O-CG1 3.4Å; V140-I144 PolarHBondContact O-N 3.19Å |
| 141 | L | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.7 | -41.5 | -172.8 | -145.4 | 72.8 | 0 | 0 | 0 | 112.4 | A137 E138 S139 T143 I144 I145 M163 I166 L175 I178 L179 | A137-L141 WeakPolarHBondContact O-CA 3.29Å; A137-L141 WeakPolarHBondContact O-CB 3.42Å; A137-L141 WeakPolarHBondContact O-CD1 3.3Å; A137-L141 PolarHBondContact O-N 2.76Å; E138-L141 WeakPolarHBondContact O-CB 3.31Å; E138-L141 PolarHBondContact O-N 3.17Å; S139-L141 PolarHBondContact O-N 2.6Å; L141-T143 VanDerWaalsContact C-N 3.33Å; L141-T143 PolarHBondContact O-N 2.85Å; L141-I144 PolarHBondContact O-N 2.96Å; L141-I145 HydrophobicContact CD2-CD1 4.5Å; L141-I145 HydrophobicContact CG-CD1 4.32Å; L141-I145 WeakPolarHBondContact O-CB 3.24Å; L141-I145 WeakPolarHBondContact O-CD1 3.33Å; L141-I145 WeakPolarHBondContact O-CG1 3.09Å; L141-I145 PolarHBondContact O-N 3.47Å; L141-M163 HydrophobicContact CD1-CE 3.72Å; L141-M163 HydrophobicContact CD1-SD 3.63Å; L141-M163 HydrophobicContact CG-CE 3.9Å; L141-M163 HydrophobicContact CG-SD 4.24Å; L141-I166 HydrophobicContact CD1-CD1 4.18Å; L141-I166 HydrophobicContact CD1-CG2 4.01Å; L141-L175 HydrophobicContact CD1-CD2 4.25Å; L141-L175 HydrophobicContact CD2-CB 3.91Å; L141-L175 HydrophobicContact CD2-CD2 3.86Å; L141-L175 HydrophobicContact CD2-CG 4.42Å; L141-I178 HydrophobicContact CB-CD1 4.34Å; L141-I178 HydrophobicContact CB-CG2 4.24Å; L141-I178 HydrophobicContact CD2-CB 3.79Å; L141-I178 HydrophobicContact CD2-CD1 4.01Å; L141-I178 HydrophobicContact CD2-CG1 4.5Å; L141-I178 HydrophobicContact CD2-CG2 3.76Å; L141-I178 HydrophobicContact CG-CG2 4.36Å; L141-L179 HydrophobicContact CD2-CD1 4.27Å; L141-L179 HydrophobicContact CD2-CD2 4.28Å; L141-L179 HydrophobicContact CD2-CG 3.9Å |
| 142 | Q | 93.2 | Very high | 92.8 | Very high | 88 Ų | 88 | 37.6 Ų | 37.6 | 41% | 0.411 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.4 | -33.9 | -177.2 | -170.3 | 55 | 79.9 | 0 | 0 | 111.8 | V140 A146 | V140-Q142 VanDerWaalsContact C-N 3.3Å; V140-Q142 PolarHBondContact O-N 2.8Å; Q142-A146 PolarHBondContact O-N 2.72Å |
| 143 | T | 95.1 | Very high | 92.9 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 8% | 0.08 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68 | -46.7 | 172.6 | -56.2 | 0 | 0 | 0 | 0 | 111 | D104 L107 R108 V140 L141 I145 A146 L147 | D104-T143 WeakPolarHBondContact OD1-CB 3.47Å; D104-T143 PolarHBondContact OD1-OG1 3.18Å; L107-T143 HydrophobicContact CB-CG2 3.66Å; R108-T143 HydrophobicContact CG-CG2 3.63Å; V140-T143 WeakPolarHBondContact O-CB 3.39Å; V140-T143 PolarHBondContact O-N 3.49Å; V140-T143 VanDerWaalsContact O-N 3.17Å; L141-T143 VanDerWaalsContact C-N 3.33Å; L141-T143 PolarHBondContact O-N 2.85Å; T143-I145 VanDerWaalsContact C-N 3.3Å; T143-I145 PolarHBondContact O-N 3.49Å; T143-A146 WeakPolarHBondContact O-CB 3.46Å; T143-A146 PolarHBondContact O-N 3.44Å; T143-L147 PolarHBondContact O-N 2.7Å; T143-L147 VanDerWaalsContact O-N 3.13Å |
| 144 | I | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.7 | -35.2 | 177.8 | -60.1 | 170.6 | 0 | 0 | 0 | 111.1 | L107 V122 V140 L141 A146 L147 L148 G159 A162 M163 I166 | L107-I144 HydrophobicContact CD1-CD1 4.4Å; L107-I144 HydrophobicContact CD1-CG1 4.11Å; L107-I144 HydrophobicContact CD2-CG1 4.5Å; V122-I144 HydrophobicContact CG1-CD1 3.96Å; V140-I144 HydrophobicContact CB-CD1 4.27Å; V140-I144 HydrophobicContact CG2-CD1 3.77Å; V140-I144 WeakPolarHBondContact O-CG1 3.4Å; V140-I144 PolarHBondContact O-N 3.19Å; L141-I144 PolarHBondContact O-N 2.96Å; I144-A146 VanDerWaalsContact C-N 3.3Å; I144-A146 PolarHBondContact O-N 3.06Å; I144-L147 WeakPolarHBondContact O-CB 3.46Å; I144-L147 PolarHBondContact O-N 2.74Å; I144-L147 VanDerWaalsContact O-N 3.13Å; I144-L148 PolarHBondContact O-N 3.15Å; I144-G159 VanDerWaalsContact CG2-O 3.26Å; I144-G159 WeakPolarHBondContact CG2-O 3.36Å; I144-A162 HydrophobicContact CD1-CB 4.47Å; I144-A162 HydrophobicContact CG2-CB 4.42Å; I144-M163 HydrophobicContact CB-CE 3.91Å; I144-M163 HydrophobicContact CG2-CB 4.22Å; I144-M163 HydrophobicContact CG2-CE 3.67Å; I144-I166 HydrophobicContact CD1-CD1 3.63Å |
| 145 | I | 95.6 | Very high | 93 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.3 | -37.4 | 172.4 | -74 | 164.4 | 0 | 0 | 0 | 111.9 | L141 T143 L147 L148 M163 I178 L179 T190 | L141-I145 HydrophobicContact CD2-CD1 4.5Å; L141-I145 HydrophobicContact CG-CD1 4.32Å; L141-I145 WeakPolarHBondContact O-CB 3.24Å; L141-I145 WeakPolarHBondContact O-CD1 3.33Å; L141-I145 WeakPolarHBondContact O-CG1 3.09Å; L141-I145 PolarHBondContact O-N 3.47Å; T143-I145 VanDerWaalsContact C-N 3.3Å; T143-I145 PolarHBondContact O-N 3.49Å; I145-L147 VanDerWaalsContact C-N 3.32Å; I145-L148 HydrophobicContact CB-CD1 4.46Å; I145-L148 HydrophobicContact CG1-CD1 4.33Å; I145-L148 WeakPolarHBondContact O-CB 3.03Å; I145-L148 PolarHBondContact O-N 3.01Å; I145-M163 HydrophobicContact CG1-CE 3.79Å; I145-I178 HydrophobicContact CD1-CG2 3.64Å; I145-L179 HydrophobicContact CD1-CD2 4Å; I145-L179 HydrophobicContact CG1-CD2 4.32Å; I145-T190 HydrophobicContact CG2-CG2 4.22Å |
| 146 | A | 94.3 | Very high | 93.2 | Very high | 62 Ų | 62 | 33.1 Ų | 33.1 | 51% | 0.512 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.1 | -33.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q142 T143 I144 L148 | Q142-A146 PolarHBondContact O-N 2.72Å; T143-A146 WeakPolarHBondContact O-CB 3.46Å; T143-A146 PolarHBondContact O-N 3.44Å; I144-A146 VanDerWaalsContact C-N 3.3Å; I144-A146 PolarHBondContact O-N 3.06Å; A146-L148 VanDerWaalsContact C-N 3.31Å; A146-L148 PolarHBondContact O-N 3.01Å |
| 147 | L | 95.1 | Very high | 93.3 | Very high | 10 Ų | 10 | 34 Ų | 34 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -34.9 | 174.3 | -60.7 | -179.3 | 0 | 0 | 0 | 112.5 | V115 T143 I144 I145 S149 N150 M155 A156 | V115-L147 HydrophobicContact CG1-CD1 3.58Å; V115-L147 HydrophobicContact CG1-CD2 3.87Å; V115-L147 HydrophobicContact CG1-CG 4.39Å; T143-L147 PolarHBondContact O-N 2.7Å; T143-L147 VanDerWaalsContact O-N 3.13Å; I144-L147 WeakPolarHBondContact O-CB 3.46Å; I144-L147 PolarHBondContact O-N 2.74Å; I144-L147 VanDerWaalsContact O-N 3.13Å; I145-L147 VanDerWaalsContact C-N 3.32Å; L147-S149 PolarHBondContact O-N 3.05Å; L147-N150 WeakPolarHBondContact O-CB 3.36Å; L147-N150 PolarHBondContact O-N 2.59Å; L147-M155 HydrophobicContact CD2-CB 4.45Å; L147-A156 WeakPolarHBondContact O-CA 3.03Å; L147-A156 WeakPolarHBondContact O-CB 3.33Å |
| 148 | L | 94.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -29.3 | -176.8 | -57 | 175.8 | 0 | 0 | 0 | 114.2 | I144 I145 A146 V160 V189 C193 I194 F197 | I144-L148 PolarHBondContact O-N 3.15Å; I145-L148 HydrophobicContact CB-CD1 4.46Å; I145-L148 HydrophobicContact CG1-CD1 4.33Å; I145-L148 WeakPolarHBondContact O-CB 3.03Å; I145-L148 PolarHBondContact O-N 3.01Å; A146-L148 VanDerWaalsContact C-N 3.31Å; A146-L148 PolarHBondContact O-N 3.01Å; L148-V160 HydrophobicContact CD2-CB 4.26Å; L148-V160 HydrophobicContact CD2-CG2 3.62Å; L148-V189 WeakPolarHBondContact O-CG1 3.24Å; L148-C193 HydrophobicContact CD1-CB 4.29Å; L148-I194 HydrophobicContact CD1-CD1 4.45Å; L148-F197 HydrophobicContact CD1-CE2 3.96Å; L148-F197 HydrophobicContact CD2-CE2 4.16Å; L148-F197 HydrophobicContact CD2-CZ 4.07Å |
| 149 | S | 92.2 | Very high | 93.5 | Very high | 56 Ų | 56 | 32 Ų | 32 | 39% | 0.392 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 20.6 | 178.7 | 51.8 | 0 | 0 | 0 | 0 | 114 | L147 S187 T190 | L147-S149 PolarHBondContact O-N 3.05Å; S149-S187 VanDerWaalsContact CB-OG 3.23Å; S149-S187 WeakPolarHBondContact CB-OG 3.36Å; S149-T190 WeakPolarHBondContact CB-OG1 3.16Å; S149-T190 PolarHBondContact OG-OG1 3.39Å |
| 150 | N | 92.4 | Very high | 93.6 | Very high | 52 Ų | 52 | 31 Ų | 31 | 28% | 0.278 | 19% | 0.192 | S | C | . | . | trans | -70.4 | 141.5 | 175.3 | -169.1 | -47.4 | 0 | 0 | 0 | 110.8 | L147 A152 M155 A156 | L147-N150 WeakPolarHBondContact O-CB 3.36Å; L147-N150 PolarHBondContact O-N 2.59Å; N150-A152 VanDerWaalsContact C-N 3.31Å; N150-A152 PolarHBondContact O-N 3.07Å; N150-A152 WeakPolarHBondContact OD1-CB 3.24Å; N150-A152 PolarHBondContact OD1-N 3.27Å; N150-M155 HydrophobicContact CB-CB 4.33Å; N150-M155 PolarHBondContact ND2-SD 3.27Å; N150-A156 HydrophobicContact CB-CB 4.36Å; N150-A156 WeakPolarHBondContact O-CB 3.42Å | ||
| 151 | S | 90 | Very high | 93.6 | Very high | 127 Ų | 127 | 31.4 Ų | 31.4 | 89% | 0.888 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -69.4 | -25.5 | 178.2 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | K153 | S151-K153 PolarHBondContact O-N 2.9Š|
| 152 | A | 92.1 | Very high | 93.7 | Very high | 31 Ų | 31 | 31.4 Ų | 31.4 | 26% | 0.256 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -77 | 104.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N150 V154 M155 A156 | N150-A152 VanDerWaalsContact C-N 3.31Å; N150-A152 PolarHBondContact O-N 3.07Å; N150-A152 WeakPolarHBondContact OD1-CB 3.24Å; N150-A152 PolarHBondContact OD1-N 3.27Å; A152-V154 PolarHBondContact O-N 2.81Å; A152-M155 HydrophobicContact CB-CB 4.2Å; A152-M155 HydrophobicContact CB-CG 4.01Å; A152-M155 HydrophobicContact CB-SD 3.79Å; A152-M155 WeakPolarHBondContact O-CB 3.42Å; A152-M155 PolarHBondContact O-N 2.99Å; A152-A156 PolarHBondContact O-N 3.36Å |
| 153 | K | 90.6 | Very high | 93.8 | Very high | 82 Ų | 82 | 27.2 Ų | 27.2 | 36% | 0.357 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -51.2 | -37.7 | -175.1 | -167.1 | 179.6 | -171.9 | -174.2 | 0 | 113.8 | V21 G23 G25 A26 S151 A156 T157 | V21-K153 PolarHBondContact O-NZ 3.39Å; G23-K153 PolarHBondContact O-NZ 3.1Å; G25-K153 CarbonylContact O-C 3.56Å; A26-K153 HydrophobicContact CB-CD 4.5Å; S151-K153 PolarHBondContact O-N 2.9Å; K153-A156 PolarHBondContact O-N 2.99Å; K153-T157 HydrophobicContact CG-CG2 4.12Å; K153-T157 WeakPolarHBondContact O-CB 3.5Å; K153-T157 WeakPolarHBondContact O-CG2 3.13Å; K153-T157 PolarHBondContact O-N 2.74Å; K153-T157 PolarHBondContact O-OG1 2.98Å |
| 154 | V | 91.2 | Very high | 93.8 | Very high | 40 Ų | 40 | 28.9 Ų | 28.9 | 24% | 0.242 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -49.6 | 176.3 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | G25 V27 R116 A152 T157 S158 | G25-V154 WeakPolarHBondContact O-CG2 3.37Å; G25-V154 PolarHBondContact O-N 3.48Å; V27-V154 HydrophobicContact CG2-CG1 4.02Å; R116-V154 HydrophobicContact CB-CG1 4.08Å; R116-V154 HydrophobicContact CG-CG1 4.49Å; A152-V154 PolarHBondContact O-N 2.81Å; V154-T157 PolarHBondContact O-OG1 3.29Å; V154-S158 WeakPolarHBondContact O-CB 3.34Å; V154-S158 PolarHBondContact O-N 3.12Å; V154-S158 PolarHBondContact O-OG 3.45Å; V154-S158 VanDerWaalsContact O-OG 3.07Å |
| 155 | M | 93 | Very high | 93.7 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 4% | 0.044 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63 | -45.9 | 177.7 | -66 | 175.4 | 164.2 | 0 | 0 | 111.6 | D109 L110 V115 L147 N150 A152 S158 G159 | D109-M155 WeakPolarHBondContact O-CE 3.46Å; L110-M155 VanDerWaalsContact C-CE 3.48Å; L110-M155 VanDerWaalsContact O-CE 3.22Å; L110-M155 WeakPolarHBondContact O-CE 3.34Å; V115-M155 HydrophobicContact CB-CE 4.33Å; V115-M155 HydrophobicContact CB-CG 4.09Å; V115-M155 HydrophobicContact CG1-CB 4.23Å; V115-M155 HydrophobicContact CG1-CG 3.99Å; V115-M155 HydrophobicContact CG2-CE 3.81Å; V115-M155 HydrophobicContact CG2-CG 4.48Å; L147-M155 HydrophobicContact CD2-CB 4.45Å; N150-M155 HydrophobicContact CB-CB 4.33Å; N150-M155 PolarHBondContact ND2-SD 3.27Å; A152-M155 HydrophobicContact CB-CB 4.2Å; A152-M155 HydrophobicContact CB-CG 4.01Å; A152-M155 HydrophobicContact CB-SD 3.79Å; A152-M155 WeakPolarHBondContact O-CB 3.42Å; A152-M155 PolarHBondContact O-N 2.99Å; M155-S158 PolarHBondContact O-N 2.97Å; M155-G159 PolarHBondContact O-N 3.33Å |
| 156 | A | 93.1 | Very high | 93.7 | Very high | 14 Ų | 14 | 28.6 Ų | 28.6 | 12% | 0.116 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67 | -44 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L147 N150 A152 K153 G159 V160 | L147-A156 WeakPolarHBondContact O-CA 3.03Å; L147-A156 WeakPolarHBondContact O-CB 3.33Å; N150-A156 HydrophobicContact CB-CB 4.36Å; N150-A156 WeakPolarHBondContact O-CB 3.42Å; A152-A156 PolarHBondContact O-N 3.36Å; K153-A156 PolarHBondContact O-N 2.99Å; A156-G159 PolarHBondContact O-N 3.26Å; A156-V160 WeakPolarHBondContact O-CG2 3.4Å; A156-V160 PolarHBondContact O-N 3.4Å |
| 157 | T | 93.3 | Very high | 93.7 | Very high | 30 Ų | 30 | 25.6 Ų | 25.6 | 18% | 0.184 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.6 | -36.9 | 176.2 | 53.9 | 0 | 0 | 0 | 0 | 112 | A26 V27 K153 V154 G159 V160 V161 | A26-T157 HydrophobicContact CB-CG2 4.29Å; V27-T157 PolarHBondContact N-OG1 3.48Å; V27-T157 WeakPolarHBondContact O-CB 3.23Å; K153-T157 HydrophobicContact CG-CG2 4.12Å; K153-T157 WeakPolarHBondContact O-CB 3.5Å; K153-T157 WeakPolarHBondContact O-CG2 3.13Å; K153-T157 PolarHBondContact O-N 2.74Å; K153-T157 PolarHBondContact O-OG1 2.98Å; V154-T157 PolarHBondContact O-OG1 3.29Å; T157-G159 VanDerWaalsContact C-N 3.34Å; T157-G159 PolarHBondContact O-N 3.44Å; T157-V160 PolarHBondContact O-N 3.07Å; T157-V161 WeakPolarHBondContact O-CB 3.25Å; T157-V161 VanDerWaalsContact O-CG2 3.31Å; T157-V161 WeakPolarHBondContact O-CG2 3.39Å; T157-V161 PolarHBondContact O-N 3.05Å |
| 158 | S | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.6 | -41.3 | 168.8 | -75.4 | 0 | 0 | 0 | 0 | 112.9 | F32 V154 M155 V161 A162 | F32-S158 WeakPolarHBondContact CZ-O 3.35Å; V154-S158 WeakPolarHBondContact O-CB 3.34Å; V154-S158 PolarHBondContact O-N 3.12Å; V154-S158 PolarHBondContact O-OG 3.45Å; V154-S158 VanDerWaalsContact O-OG 3.07Å; M155-S158 PolarHBondContact O-N 2.97Å; S158-V161 PolarHBondContact O-N 2.86Å; S158-A162 VanDerWaalsContact O-CB 3.3Å; S158-A162 WeakPolarHBondContact O-CB 3.46Å; S158-A162 PolarHBondContact O-N 3.45Å |
| 159 | G | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I144 M155 A156 T157 M163 | I144-G159 VanDerWaalsContact CG2-O 3.26Å; I144-G159 WeakPolarHBondContact CG2-O 3.36Å; M155-G159 PolarHBondContact O-N 3.33Å; A156-G159 PolarHBondContact O-N 3.26Å; T157-G159 VanDerWaalsContact C-N 3.34Å; T157-G159 PolarHBondContact O-N 3.44Å; G159-M163 WeakPolarHBondContact O-CB 3.46Å; G159-M163 PolarHBondContact O-N 3.26Å |
| 160 | V | 94.8 | Very high | 93.6 | Very high | 28 Ų | 28 | 26.3 Ų | 26.3 | 17% | 0.17 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.6 | -49.3 | 174.6 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | L148 A156 T157 M163 R164 F197 | L148-V160 HydrophobicContact CD2-CB 4.26Å; L148-V160 HydrophobicContact CD2-CG2 3.62Å; A156-V160 WeakPolarHBondContact O-CG2 3.4Å; A156-V160 PolarHBondContact O-N 3.4Å; T157-V160 PolarHBondContact O-N 3.07Å; V160-M163 PolarHBondContact O-N 3.35Å; V160-R164 WeakPolarHBondContact O-CG 3.37Å; V160-R164 PolarHBondContact O-N 3.25Å; V160-F197 HydrophobicContact CG1-CE1 4.34Å; V160-F197 HydrophobicContact CG1-CZ 4.32Å |
| 161 | V | 95.2 | Very high | 93.5 | Very high | 8 Ų | 8 | 25 Ų | 25 | 5% | 0.048 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.6 | -45.4 | -179.1 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | E29 F32 T157 S158 M163 R164 F165 | E29-V161 HydrophobicContact CB-CG1 4.45Å; E29-V161 HydrophobicContact CG-CG1 3.85Å; E29-V161 HydrophobicContact CG-CG2 4.41Å; F32-V161 HydrophobicContact CB-CG1 3.94Å; F32-V161 HydrophobicContact CD1-CB 4.42Å; F32-V161 HydrophobicContact CD1-CG1 3.53Å; F32-V161 HydrophobicContact CD2-CB 4.12Å; F32-V161 HydrophobicContact CD2-CG1 3.54Å; F32-V161 HydrophobicContact CE1-CB 4.22Å; F32-V161 HydrophobicContact CE1-CG1 3.81Å; F32-V161 HydrophobicContact CE2-CB 3.9Å; F32-V161 HydrophobicContact CE2-CG1 3.81Å; F32-V161 HydrophobicContact CG-CB 4.38Å; F32-V161 HydrophobicContact CG-CG1 3.39Å; F32-V161 HydrophobicContact CZ-CB 3.97Å; F32-V161 HydrophobicContact CZ-CG1 3.95Å; T157-V161 WeakPolarHBondContact O-CB 3.25Å; T157-V161 VanDerWaalsContact O-CG2 3.31Å; T157-V161 WeakPolarHBondContact O-CG2 3.39Å; T157-V161 PolarHBondContact O-N 3.05Å; S158-V161 PolarHBondContact O-N 2.86Å; V161-M163 VanDerWaalsContact C-N 3.31Å; V161-M163 PolarHBondContact O-N 2.73Å; V161-R164 WeakPolarHBondContact O-CB 3.49Å; V161-R164 PolarHBondContact O-N 3.42Å; V161-R164 VanDerWaalsContact O-N 3.17Å; V161-F165 HydrophobicContact CG1-CD2 3.89Å; V161-F165 HydrophobicContact CG1-CE2 3.83Å; V161-F165 WeakPolarHBondContact O-CD2 3.38Å; V161-F165 PolarHBondContact O-N 2.93Å |
| 162 | A | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.2 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F32 C119 I144 S158 R164 F165 I166 | F32-A162 HydrophobicContact CE1-CB 4.16Å; C119-A162 HydrophobicContact CB-CB 3.99Å; I144-A162 HydrophobicContact CD1-CB 4.47Å; I144-A162 HydrophobicContact CG2-CB 4.42Å; S158-A162 VanDerWaalsContact O-CB 3.3Å; S158-A162 WeakPolarHBondContact O-CB 3.46Å; S158-A162 PolarHBondContact O-N 3.45Å; A162-R164 PolarHBondContact O-N 3.39Å; A162-F165 PolarHBondContact O-N 2.91Å; A162-I166 WeakPolarHBondContact O-CG1 3.29Å; A162-I166 PolarHBondContact O-N 3.09Å |
| 163 | M | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.3 | -38.8 | 176.1 | -170.6 | 59.5 | 66.5 | 0 | 0 | 112.6 | L141 I144 I145 G159 V160 V161 I166 L167 L179 F197 | L141-M163 HydrophobicContact CD1-CE 3.72Å; L141-M163 HydrophobicContact CD1-SD 3.63Å; L141-M163 HydrophobicContact CG-CE 3.9Å; L141-M163 HydrophobicContact CG-SD 4.24Å; I144-M163 HydrophobicContact CB-CE 3.91Å; I144-M163 HydrophobicContact CG2-CB 4.22Å; I144-M163 HydrophobicContact CG2-CE 3.67Å; I145-M163 HydrophobicContact CG1-CE 3.79Å; G159-M163 WeakPolarHBondContact O-CB 3.46Å; G159-M163 PolarHBondContact O-N 3.26Å; V160-M163 PolarHBondContact O-N 3.35Å; V161-M163 VanDerWaalsContact C-N 3.31Å; V161-M163 PolarHBondContact O-N 2.73Å; M163-I166 PolarHBondContact O-N 3.44Å; M163-L167 HydrophobicContact CG-CD1 4.21Å; M163-L167 WeakPolarHBondContact O-CB 3.14Å; M163-L167 WeakPolarHBondContact O-CG 3.47Å; M163-L167 PolarHBondContact O-N 3.35Å; M163-L167 HydrophobicContact SD-CD1 4.41Å; M163-L167 HydrophobicContact SD-CG 4.49Å; M163-L179 HydrophobicContact CE-CD2 4.2Å; M163-L179 HydrophobicContact CG-CD2 4.45Å; M163-L179 HydrophobicContact SD-CD2 3.74Å; M163-F197 HydrophobicContact CB-CE1 4.34Å; M163-F197 HydrophobicContact CB-CE2 3.95Å; M163-F197 HydrophobicContact CB-CZ 3.74Å; M163-F197 HydrophobicContact CG-CD2 3.73Å; M163-F197 HydrophobicContact CG-CE1 4.25Å; M163-F197 HydrophobicContact CG-CE2 3.34Å; M163-F197 HydrophobicContact CG-CG 4.37Å; M163-F197 HydrophobicContact CG-CZ 3.63Å |
| 164 | R | 95 | Very high | 93.3 | Very high | 47 Ų | 47 | 20.5 Ų | 20.5 | 18% | 0.177 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | 172.7 | -67.6 | -171 | 173.2 | -172 | -1.1 | 111.2 | E29 V160 V161 A162 I166 L167 E168 E196 F197 I200 | E29-R164 WeakPolarHBondContact OE1-CD 3.41Å; E29-R164 IonicContact OE1-CZ 3.68Å; E29-R164 IonicContact OE1-NE 2.74Å; E29-R164 IonicContact OE1-NH1 3.45Å; E29-R164 PolarHBondContact OE1-NH1 2.7Å; V160-R164 WeakPolarHBondContact O-CG 3.37Å; V160-R164 PolarHBondContact O-N 3.25Å; V161-R164 WeakPolarHBondContact O-CB 3.49Å; V161-R164 PolarHBondContact O-N 3.42Å; V161-R164 VanDerWaalsContact O-N 3.17Å; A162-R164 PolarHBondContact O-N 3.39Å; R164-I166 PolarHBondContact O-N 2.9Å; R164-L167 PolarHBondContact O-N 3.28Å; R164-E168 WeakPolarHBondContact O-CG 3.47Å; R164-E168 PolarHBondContact O-N 3.27Å; R164-E196 IonicContact CZ-OE1 2.69Å; R164-E196 IonicContact NH2-OE1 2.76Å; R164-E196 PolarHBondContact NH2-OE1 3.35Å; R164-F197 HydrophobicContact CG-CD1 4.3Å; R164-F197 HydrophobicContact CG-CE1 3.82Å; R164-I200 HydrophobicContact CB-CD1 3.98Å; R164-I200 HydrophobicContact CG-CD1 3.61Å |
| 165 | F | 94.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 177.6 | -87.7 | -81.1 | 0 | 0 | 0 | 112.9 | E29 F32 R33 F36 A123 S126 V161 A162 L167 E168 N169 | E29-F165 HydrophobicContact CB-CE2 4.33Å; E29-F165 HydrophobicContact CG-CE2 4.07Å; F32-F165 HydrophobicContact CB-CE2 4.03Å; F32-F165 HydrophobicContact CD1-CD2 4.32Å; F32-F165 HydrophobicContact CD1-CE2 4.35Å; R33-F165 HydrophobicContact CG-CZ 3.85Å; R33-F165 VanDerWaalsContact CZ-CZ 3.46Å; F36-F165 HydrophobicContact CE2-CD1 4.2Å; F36-F165 AromaticContact CE2-CE1 3.56Å; F36-F165 HydrophobicContact CE2-CE1 3.56Å; F36-F165 AromaticContact CE2-CZ 3.86Å; F36-F165 HydrophobicContact CE2-CZ 3.86Å; F36-F165 AromaticContact CZ-CD1 3.8Å; F36-F165 HydrophobicContact CZ-CD1 3.8Å; F36-F165 HydrophobicContact CZ-CD2 4.25Å; F36-F165 AromaticContact CZ-CE1 3.43Å; F36-F165 HydrophobicContact CZ-CE1 3.43Å; F36-F165 VanDerWaalsContact CZ-CE1 3.43Å; F36-F165 AromaticContact CZ-CE2 3.92Å; F36-F165 HydrophobicContact CZ-CE2 3.92Å; F36-F165 HydrophobicContact CZ-CG 4.21Å; F36-F165 AromaticContact CZ-CZ 3.5Å; F36-F165 HydrophobicContact CZ-CZ 3.5Å; A123-F165 HydrophobicContact CB-CB 3.69Å; A123-F165 HydrophobicContact CB-CD2 3.85Å; A123-F165 HydrophobicContact CB-CG 3.77Å; S126-F165 PolarHBondContact OG-O 3.27Å; V161-F165 HydrophobicContact CG1-CD2 3.89Å; V161-F165 HydrophobicContact CG1-CE2 3.83Å; V161-F165 WeakPolarHBondContact O-CD2 3.38Å; V161-F165 PolarHBondContact O-N 2.93Å; A162-F165 PolarHBondContact O-N 2.91Å; F165-L167 VanDerWaalsContact C-N 3.34Å; F165-L167 PolarHBondContact O-N 2.86Å; F165-E168 PolarHBondContact O-N 3.08Å; F165-N169 PolarHBondContact O-N 2.74Å; F165-N169 VanDerWaalsContact O-N 3.12Å; F165-N169 PolarHBondContact O-ND2 3.41Å |
| 166 | I | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.4 | -47.9 | 174.7 | -67.8 | 167.1 | 0 | 0 | 0 | 110.8 | V122 S126 F133 A137 L141 I144 A162 M163 R164 E168 N169 T170 L175 | V122-I166 HydrophobicContact CG1-CD1 3.87Å; V122-I166 HydrophobicContact CG1-CG1 4.3Å; S126-I166 WeakPolarHBondContact OG-CA 3.42Å; F133-I166 HydrophobicContact CE1-CG1 4.5Å; A137-I166 HydrophobicContact CB-CG2 3.94Å; L141-I166 HydrophobicContact CD1-CD1 4.18Å; L141-I166 HydrophobicContact CD1-CG2 4.01Å; I144-I166 HydrophobicContact CD1-CD1 3.63Å; A162-I166 WeakPolarHBondContact O-CG1 3.29Å; A162-I166 PolarHBondContact O-N 3.09Å; M163-I166 PolarHBondContact O-N 3.44Å; R164-I166 PolarHBondContact O-N 2.9Å; I166-E168 PolarHBondContact O-N 3.39Å; I166-N169 PolarHBondContact O-N 2.6Å; I166-T170 WeakPolarHBondContact O-CA 3.26Å; I166-T170 WeakPolarHBondContact O-CB 3.5Å; I166-T170 PolarHBondContact O-N 2.99Å; I166-L175 HydrophobicContact CG2-CD1 3.88Å |
| 167 | L | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -75.5 | -22 | -176.5 | -72.4 | 177.2 | 0 | 0 | 0 | 114.9 | M163 R164 F165 L179 F197 I200 I201 T204 W205 | M163-L167 HydrophobicContact CG-CD1 4.21Å; M163-L167 WeakPolarHBondContact O-CB 3.14Å; M163-L167 WeakPolarHBondContact O-CG 3.47Å; M163-L167 PolarHBondContact O-N 3.35Å; M163-L167 HydrophobicContact SD-CD1 4.41Å; M163-L167 HydrophobicContact SD-CG 4.49Å; R164-L167 PolarHBondContact O-N 3.28Å; F165-L167 VanDerWaalsContact C-N 3.34Å; F165-L167 PolarHBondContact O-N 2.86Å; L167-L179 HydrophobicContact CD1-CD1 4.01Å; L167-L179 HydrophobicContact CD2-CD1 3.68Å; L167-L179 HydrophobicContact CG-CD1 4.31Å; L167-F197 HydrophobicContact CD1-CB 3.62Å; L167-F197 HydrophobicContact CD1-CD1 4.46Å; L167-F197 HydrophobicContact CD1-CD2 4.31Å; L167-F197 HydrophobicContact CD1-CG 3.89Å; L167-I200 HydrophobicContact CB-CG2 4.02Å; L167-I201 HydrophobicContact CD1-CD1 4.27Å; L167-I201 HydrophobicContact CD1-CG1 4.36Å; L167-I201 HydrophobicContact CD2-CD1 4.31Å; L167-I201 HydrophobicContact CD2-CG1 4.09Å; L167-T204 PolarHBondContact O-OG1 3.15Å; L167-W205 HydrophobicContact CD2-CZ2 3.61Å; L167-W205 PolarHBondContact O-NE1 2.71Å |
| 168 | E | 93.9 | Very high | 93.2 | Very high | 49 Ų | 49 | 17.3 Ų | 17.3 | 23% | 0.229 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -80.5 | -31.6 | 172.1 | -70.5 | -159.2 | 139.8 | 0 | 0 | 113.2 | R164 F165 I166 I200 R203 T204 | R164-E168 WeakPolarHBondContact O-CG 3.47Å; R164-E168 PolarHBondContact O-N 3.27Å; F165-E168 PolarHBondContact O-N 3.08Å; I166-E168 PolarHBondContact O-N 3.39Å; E168-I200 HydrophobicContact CG-CG2 3.67Å; E168-R203 IonicContact OE1-CZ 3.65Å; E168-R203 VanDerWaalsContact OE1-CZ 3.23Å; E168-R203 IonicContact OE1-NH1 3.26Å; E168-R203 PolarHBondContact OE1-NH1 3.45Å; E168-R203 IonicContact OE1-NH2 2.73Å; E168-R203 PolarHBondContact OE1-NH2 3.37Å; E168-T204 HydrophobicContact CG-CG2 4.17Å |
| 169 | N | 92.3 | Very high | 93.1 | Very high | 35 Ų | 35 | 17.5 Ų | 17.5 | 19% | 0.187 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -112.9 | -21.1 | -170 | -59.6 | -85.4 | 0 | 0 | 0 | 115 | S126 R130 N131 F165 I166 | S126-N169 WeakPolarHBondContact O-CB 3.48Å; R130-N169 CarbonylContact C-O 3.35Å; R130-N169 VanDerWaalsContact C-O 3.23Å; R130-N169 WeakPolarHBondContact CA-O 3.29Å; R130-N169 WeakPolarHBondContact CB-O 3.37Å; N131-N169 PolarHBondContact OD1-O 3.15Å; F165-N169 PolarHBondContact O-N 2.74Å; F165-N169 VanDerWaalsContact O-N 3.12Å; F165-N169 PolarHBondContact O-ND2 3.41Å; I166-N169 PolarHBondContact O-N 2.6Å |
| 170 | T | 91.4 | Very high | 93 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -120.8 | 84.4 | -175.1 | -54.4 | 0 | 0 | 0 | 0 | 110.4 | S126 R130 F133 D134 A137 I166 S172 L175 | S126-T170 PolarHBondContact OG-OG1 2.89Å; R130-T170 PolarHBondContact O-OG1 3.1Å; F133-T170 HydrophobicContact CB-CG2 4.22Å; D134-T170 HydrophobicContact CB-CG2 4.28Å; A137-T170 HydrophobicContact CB-CG2 4.13Å; I166-T170 WeakPolarHBondContact O-CA 3.26Å; I166-T170 WeakPolarHBondContact O-CB 3.5Å; I166-T170 PolarHBondContact O-N 2.99Å; T170-S172 PolarHBondContact O-N 3.24Å; T170-S172 VanDerWaalsContact O-N 3.1Å; T170-L175 HydrophobicContact CG2-CD1 4.48Å | ||
| 171 | C | 90.5 | Very high | 92.9 | Very high | 23 Ų | 23 | 17.6 Ų | 17.6 | 16% | 0.155 | 9% | 0.09 | C | C | . | . | trans | -81.8 | 82 | -177.8 | -65 | 0 | 0 | 0 | 0 | 111.5 | N131 W205 I209 | N131-C171 PolarHBondContact OD1-N 3.29Å; C171-W205 HydrophobicContact CB-CD2 4.36Å; C171-W205 HydrophobicContact CB-CG 4.34Å; C171-I209 HydrophobicContact CB-CD1 4.21Å; C171-I209 VanDerWaalsContact O-CD1 3.31Å; C171-I209 WeakPolarHBondContact O-CD1 3.39Å | ||
| 172 | S | 89 | Confident | 92.7 | Very high | 13 Ų | 13 | 17.7 Ų | 17.7 | 9% | 0.091 | 9% | 0.091 | C | C | . | . | trans | -122.3 | 125.2 | -179.7 | 176.3 | 0 | 0 | 0 | 0 | 112.9 | T170 R174 L175 W205 | T170-S172 PolarHBondContact O-N 3.24Å; T170-S172 VanDerWaalsContact O-N 3.1Å; S172-R174 PolarHBondContact O-N 3.46Å; S172-R174 PolarHBondContact OG-N 3.28Å; S172-L175 PolarHBondContact O-N 3.43Å; S172-W205 WeakPolarHBondContact O-CH2 3.38Å | ||
| 173 | S | 90.3 | Very high | 92.6 | Very high | 38 Ų | 38 | 18.3 Ų | 18.3 | 27% | 0.266 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -33.2 | 175.6 | -61.5 | 0 | 0 | 0 | 0 | 113.4 | L175 L176 P177 N213 | S173-L175 PolarHBondContact O-N 3.14Å; S173-L175 VanDerWaalsContact O-N 3.17Å; S173-L176 PolarHBondContact O-N 2.91Å; S173-L176 VanDerWaalsContact O-N 3.16Å; S173-P177 WeakPolarHBondContact O-CD 3.35Å; S173-N213 PolarHBondContact OG-ND2 2.81Å |
| 174 | R | 90.1 | Very high | 92.4 | Very high | 96 Ų | 96 | 21.3 Ų | 21.3 | 36% | 0.362 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -19.4 | -176 | -58.2 | 172.6 | 71.1 | -160.9 | -9.9 | 113.2 | E138 S172 | E138-R174 HydrophobicContact CG-CB 4.48Å; E138-R174 IonicContact OE1-CZ 3.94Å; E138-R174 IonicContact OE1-NE 2.69Å; E138-R174 PolarHBondContact OE1-NE 3.35Å; E138-R174 IonicContact OE1-NH2 3.28Å; E138-R174 PolarHBondContact OE1-NH2 3.41Å; E138-R174 WeakPolarHBondContact OE2-CB 3.47Å; E138-R174 VanDerWaalsContact OE2-CD 3.23Å; E138-R174 WeakPolarHBondContact OE2-CD 3.41Å; E138-R174 IonicContact OE2-CZ 3.12Å; E138-R174 IonicContact OE2-NE 3.81Å; E138-R174 PolarHBondContact OE2-NE 2.81Å; E138-R174 IonicContact OE2-NH1 2.72Å; E138-R174 PolarHBondContact OE2-NH1 3.49Å; E138-R174 IonicContact OE2-NH2 3.33Å; E138-R174 PolarHBondContact OE2-NH2 2.93Å; E138-R174 VanDerWaalsContact OE2-NH2 3.07Å; S172-R174 PolarHBondContact O-N 3.46Å; S172-R174 PolarHBondContact OG-N 3.28Å |
| 175 | L | 92.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -80.1 | -30.9 | 177 | -50.9 | -179.7 | 0 | 0 | 0 | 112.9 | A137 E138 L141 I166 T170 S172 S173 I178 L179 W205 | A137-L175 HydrophobicContact CB-CD1 4.42Å; A137-L175 HydrophobicContact CB-CD2 4.15Å; E138-L175 HydrophobicContact CB-CD2 3.96Å; E138-L175 HydrophobicContact CG-CD2 4.47Å; L141-L175 HydrophobicContact CD1-CD2 4.25Å; L141-L175 HydrophobicContact CD2-CB 3.91Å; L141-L175 HydrophobicContact CD2-CD2 3.86Å; L141-L175 HydrophobicContact CD2-CG 4.42Å; I166-L175 HydrophobicContact CG2-CD1 3.88Å; T170-L175 HydrophobicContact CG2-CD1 4.48Å; S172-L175 PolarHBondContact O-N 3.43Å; S173-L175 PolarHBondContact O-N 3.14Å; S173-L175 VanDerWaalsContact O-N 3.17Å; L175-I178 PolarHBondContact O-N 2.85Å; L175-L179 HydrophobicContact CB-CD1 4.27Å; L175-L179 WeakPolarHBondContact O-CD1 3.5Å; L175-L179 WeakPolarHBondContact O-CG 3.48Å; L175-L179 PolarHBondContact O-N 2.84Å; L175-W205 HydrophobicContact CB-CH2 4.4Å |
| 176 | L | 92.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.6 | -44.5 | -177.1 | -65.9 | 176.1 | 0 | 0 | 0 | 113.8 | S173 I178 L179 I180 I201 W205 N213 L217 | S173-L176 PolarHBondContact O-N 2.91Å; S173-L176 VanDerWaalsContact O-N 3.16Å; L176-I178 VanDerWaalsContact C-N 3.3Å; L176-I178 PolarHBondContact O-N 3.39Å; L176-L179 PolarHBondContact O-N 3.16Å; L176-I180 HydrophobicContact CB-CD1 4.13Å; L176-I180 HydrophobicContact CD2-CD1 4.45Å; L176-I180 VanDerWaalsContact O-CB 3.28Å; L176-I180 WeakPolarHBondContact O-CB 3.46Å; L176-I180 VanDerWaalsContact O-CG1 3.3Å; L176-I180 WeakPolarHBondContact O-CG1 3.34Å; L176-I180 PolarHBondContact O-N 3.45Å; L176-I201 HydrophobicContact CD2-CD1 3.7Å; L176-I201 HydrophobicContact CD2-CG1 4.26Å; L176-I201 HydrophobicContact CD2-CG2 4.02Å; L176-W205 HydrophobicContact CD1-CE3 4.17Å; L176-W205 HydrophobicContact CD1-CH2 4.31Å; L176-W205 HydrophobicContact CD1-CZ3 3.54Å; L176-W205 HydrophobicContact CD2-CE3 4.41Å; L176-W205 HydrophobicContact CD2-CH2 3.81Å; L176-W205 HydrophobicContact CD2-CZ3 3.75Å; L176-W205 HydrophobicContact CG-CE3 4.39Å; L176-W205 HydrophobicContact CG-CH2 3.7Å; L176-W205 HydrophobicContact CG-CZ3 3.44Å; L176-W205 VanDerWaalsContact CG-CZ3 3.44Å; L176-N213 HydrophobicContact CD1-CB 3.53Å; L176-L217 HydrophobicContact CD1-CD2 4.32Å; L176-L217 HydrophobicContact CD2-CD2 4.25Å |
| 177 | P | 90.3 | Very high | 92.1 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 8% | 0.078 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58 | -41.5 | 174.8 | -25.1 | 33.7 | 0 | 0 | 0 | 112.8 | S173 S181 K995 K996 | S173-P177 WeakPolarHBondContact O-CD 3.35Å; P177-S181 WeakPolarHBondContact O-CB 3.35Å; P177-S181 PolarHBondContact O-N 3.02Å; P177-S181 VanDerWaalsContact O-N 3.09Å; P177-S181 PolarHBondContact O-OG 3.17Å; P177-K995 HydrophobicContact CB-CB 3.84Å; P177-K995 HydrophobicContact CB-CG 4.44Å; P177-K996 WeakPolarHBondContact CB-O 3.29Å; P177-K996 WeakPolarHBondContact CG-O 3.4Å |
| 178 | I | 92.6 | Very high | 92 | Very high | 14 Ų | 14 | 35.8 Ų | 35.8 | 7% | 0.072 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -52 | 178.7 | -57 | 169 | 0 | 0 | 0 | 109.5 | E138 L141 I145 L175 L176 S181 S182 K995 | E138-I178 HydrophobicContact CG-CD1 3.63Å; L141-I178 HydrophobicContact CB-CD1 4.34Å; L141-I178 HydrophobicContact CB-CG2 4.24Å; L141-I178 HydrophobicContact CD2-CB 3.79Å; L141-I178 HydrophobicContact CD2-CD1 4.01Å; L141-I178 HydrophobicContact CD2-CG1 4.5Å; L141-I178 HydrophobicContact CD2-CG2 3.76Å; L141-I178 HydrophobicContact CG-CG2 4.36Å; I145-I178 HydrophobicContact CD1-CG2 3.64Å; L175-I178 PolarHBondContact O-N 2.85Å; L176-I178 VanDerWaalsContact C-N 3.3Å; L176-I178 PolarHBondContact O-N 3.39Å; I178-S181 PolarHBondContact O-OG 3.01Å; I178-S182 PolarHBondContact O-OG 2.87Å; I178-K995 HydrophobicContact CB-CD 4.25Å; I178-K995 HydrophobicContact CG1-CD 3.78Å |
| 179 | L | 93.6 | Very high | 92 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.3 | -50.9 | -178 | -68.8 | 161.7 | 0 | 0 | 0 | 112.7 | L141 I145 M163 L167 L175 L176 S181 S182 I194 | L141-L179 HydrophobicContact CD2-CD1 4.27Å; L141-L179 HydrophobicContact CD2-CD2 4.28Å; L141-L179 HydrophobicContact CD2-CG 3.9Å; I145-L179 HydrophobicContact CD1-CD2 4Å; I145-L179 HydrophobicContact CG1-CD2 4.32Å; M163-L179 HydrophobicContact CE-CD2 4.2Å; M163-L179 HydrophobicContact CG-CD2 4.45Å; M163-L179 HydrophobicContact SD-CD2 3.74Å; L167-L179 HydrophobicContact CD1-CD1 4.01Å; L167-L179 HydrophobicContact CD2-CD1 3.68Å; L167-L179 HydrophobicContact CG-CD1 4.31Å; L175-L179 HydrophobicContact CB-CD1 4.27Å; L175-L179 WeakPolarHBondContact O-CD1 3.5Å; L175-L179 WeakPolarHBondContact O-CG 3.48Å; L175-L179 PolarHBondContact O-N 2.84Å; L176-L179 PolarHBondContact O-N 3.16Å; L179-S181 VanDerWaalsContact C-N 3.3Å; L179-S181 PolarHBondContact O-N 2.88Å; L179-S182 WeakPolarHBondContact O-CA 3.28Å; L179-S182 VanDerWaalsContact O-CB 3.27Å; L179-S182 WeakPolarHBondContact O-CB 3.48Å; L179-S182 PolarHBondContact O-N 3.2Å; L179-I194 HydrophobicContact CB-CD1 4.24Å; L179-I194 HydrophobicContact CD2-CD1 3.64Å; L179-I194 WeakPolarHBondContact O-CG2 3.39Å |
| 180 | I | 93.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.3 | -32.1 | -175.1 | -64.2 | 169 | 0 | 0 | 0 | 110.7 | L176 S182 L183 V216 L217 A220 | L176-I180 HydrophobicContact CB-CD1 4.13Å; L176-I180 HydrophobicContact CD2-CD1 4.45Å; L176-I180 VanDerWaalsContact O-CB 3.28Å; L176-I180 WeakPolarHBondContact O-CB 3.46Å; L176-I180 VanDerWaalsContact O-CG1 3.3Å; L176-I180 WeakPolarHBondContact O-CG1 3.34Å; L176-I180 PolarHBondContact O-N 3.45Å; I180-S182 PolarHBondContact O-N 3.35Å; I180-L183 HydrophobicContact CG2-CD1 4.4Å; I180-L183 WeakPolarHBondContact O-CB 3.5Å; I180-L183 PolarHBondContact O-N 3.12Å; I180-L183 VanDerWaalsContact O-N 3.09Å; I180-V216 HydrophobicContact CB-CG1 4.27Å; I180-V216 HydrophobicContact CD1-CB 4.28Å; I180-V216 HydrophobicContact CD1-CG1 3.7Å; I180-V216 HydrophobicContact CG2-CG1 4.04Å; I180-L217 HydrophobicContact CD1-CD2 4.24Å; I180-A220 HydrophobicContact CB-CB 4.5Å; I180-A220 HydrophobicContact CD1-CB 4.04Å; I180-A220 HydrophobicContact CG1-CB 3.95Å; I180-A220 HydrophobicContact CG2-CB 3.81Å |
| 181 | S | 92.1 | Very high | 92.3 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 17% | 0.168 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59 | -28.5 | 169.8 | 78.7 | 0 | 0 | 0 | 0 | 112.9 | P177 I178 L179 L183 S184 K995 | P177-S181 WeakPolarHBondContact O-CB 3.35Å; P177-S181 PolarHBondContact O-N 3.02Å; P177-S181 VanDerWaalsContact O-N 3.09Å; P177-S181 PolarHBondContact O-OG 3.17Å; I178-S181 PolarHBondContact O-OG 3.01Å; L179-S181 VanDerWaalsContact C-N 3.3Å; L179-S181 PolarHBondContact O-N 2.88Å; S181-L183 VanDerWaalsContact C-N 3.26Å; S181-L183 PolarHBondContact O-N 2.72Å; S181-S184 WeakPolarHBondContact O-CB 3.09Å; S181-S184 PolarHBondContact O-N 2.85Å; S181-S184 VanDerWaalsContact O-N 3.08Å; S181-S184 PolarHBondContact O-OG 3.18Å; S181-K995 VanDerWaalsContact OG-CE 3.25Å; S181-K995 WeakPolarHBondContact OG-CE 3.41Å |
| 182 | S | 92.7 | Very high | 92.5 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 8% | 0.077 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -76.7 | -7.1 | 179.2 | -56.1 | 0 | 0 | 0 | 0 | 113.9 | I178 L179 I180 S184 S185 | I178-S182 PolarHBondContact O-OG 2.87Å; L179-S182 WeakPolarHBondContact O-CA 3.28Å; L179-S182 VanDerWaalsContact O-CB 3.27Å; L179-S182 WeakPolarHBondContact O-CB 3.48Å; L179-S182 PolarHBondContact O-N 3.2Å; I180-S182 PolarHBondContact O-N 3.35Å; S182-S184 PolarHBondContact O-N 2.88Å; S182-S185 WeakPolarHBondContact O-CB 3.49Å; S182-S185 PolarHBondContact O-N 3.31Å |
| 183 | L | 92.5 | Very high | 92.7 | Very high | 13 Ų | 13 | 36.5 Ų | 36.5 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -66.2 | -11.3 | 161.6 | -66.3 | 174.9 | 0 | 0 | 0 | 112.9 | I180 S181 S185 R191 I194 C195 A220 R223 | I180-L183 HydrophobicContact CG2-CD1 4.4Å; I180-L183 WeakPolarHBondContact O-CB 3.5Å; I180-L183 PolarHBondContact O-N 3.12Å; I180-L183 VanDerWaalsContact O-N 3.09Å; S181-L183 VanDerWaalsContact C-N 3.26Å; S181-L183 PolarHBondContact O-N 2.72Å; L183-S185 VanDerWaalsContact C-N 3.34Å; L183-R191 HydrophobicContact CD2-CB 4.46Å; L183-R191 WeakPolarHBondContact O-CD 3.36Å; L183-I194 HydrophobicContact CD1-CG2 4.36Å; L183-I194 HydrophobicContact CD2-CB 3.77Å; L183-I194 HydrophobicContact CD2-CG2 3.66Å; L183-I194 HydrophobicContact CG-CB 4.28Å; L183-I194 HydrophobicContact CG-CG2 3.7Å; L183-C195 VanDerWaalsContact CD2-SG 3.54Å; L183-A220 HydrophobicContact CD1-CB 3.77Å; L183-R223 HydrophobicContact CD1-CB 4.41Å |
| 184 | S | 91.4 | Very high | 93 | Very high | 63 Ų | 63 | 34.9 Ų | 34.9 | 44% | 0.441 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -88.1 | 4.1 | 167.7 | 67 | 0 | 0 | 0 | 0 | 114 | S181 S182 K993 | S181-S184 WeakPolarHBondContact O-CB 3.09Å; S181-S184 PolarHBondContact O-N 2.85Å; S181-S184 VanDerWaalsContact O-N 3.08Å; S181-S184 PolarHBondContact O-OG 3.18Å; S182-S184 PolarHBondContact O-N 2.88Å; S184-K993 PolarHBondContact OG-NZ 2.89Å |
| 185 | S | 92.5 | Very high | 93.2 | Very high | 36 Ų | 36 | 30.3 Ų | 30.3 | 25% | 0.252 | 16% | 0.164 | S | C | . | . | trans | -65.3 | 137.4 | -179.6 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | S182 L183 S187 R191 | S182-S185 WeakPolarHBondContact O-CB 3.49Å; S182-S185 PolarHBondContact O-N 3.31Å; L183-S185 VanDerWaalsContact C-N 3.34Å; S185-S187 PolarHBondContact O-N 2.89Å; S185-S187 PolarHBondContact OG-N 3.17Å; S185-R191 WeakPolarHBondContact O-CD 3.17Å; S185-R191 WeakPolarHBondContact O-CG 2.72Å; S185-R191 PolarHBondContact O-NH1 3.36Å | ||
| 186 | K | 92.4 | Very high | 93.3 | Very high | 212 Ų | 212 | 31 Ų | 31 | 92% | 0.922 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -59 | -33.8 | 172 | -64.7 | 178.8 | -179.3 | 175 | 0 | 111.4 | N188 R191 | K186-N188 PolarHBondContact O-N 3.44Å; K186-R191 PolarHBondContact O-NH1 2.89Å |
| 187 | S | 93.4 | Very high | 93.5 | Very high | 30 Ų | 30 | 31 Ų | 31 | 21% | 0.21 | 17% | 0.167 | C | C | . | . | trans | -69.4 | 115.2 | 176 | 165.7 | 0 | 0 | 0 | 0 | 111.3 | S149 S185 V189 T190 R191 | S149-S187 VanDerWaalsContact CB-OG 3.23Å; S149-S187 WeakPolarHBondContact CB-OG 3.36Å; S185-S187 PolarHBondContact O-N 2.89Å; S185-S187 PolarHBondContact OG-N 3.17Å; S187-V189 VanDerWaalsContact C-N 3.27Å; S187-V189 PolarHBondContact O-N 3.34Å; S187-V189 PolarHBondContact OG-N 2.81Å; S187-T190 VanDerWaalsContact CB-OG1 3.23Å; S187-T190 WeakPolarHBondContact CB-OG1 3.03Å; S187-T190 PolarHBondContact O-N 3.03Å; S187-T190 PolarHBondContact OG-N 3.28Å; S187-T190 VanDerWaalsContact OG-N 3.09Å; S187-T190 PolarHBondContact OG-OG1 3.12Å; S187-R191 PolarHBondContact O-N 3.16Å | ||
| 188 | N | 93.3 | Very high | 93.7 | Very high | 73 Ų | 73 | 30.5 Ų | 30.5 | 39% | 0.39 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65.3 | -31.7 | 173.6 | 71.5 | -49.2 | 0 | 0 | 0 | 111.8 | K186 T190 R191 K192 D229 | K186-N188 PolarHBondContact O-N 3.44Å; N188-T190 VanDerWaalsContact C-N 3.33Å; N188-T190 PolarHBondContact O-N 2.91Å; N188-R191 PolarHBondContact O-N 3.39Å; N188-K192 VanDerWaalsContact O-CB 3.28Å; N188-K192 WeakPolarHBondContact O-CB 3.48Å; N188-K192 PolarHBondContact O-N 3.02Å; N188-D229 HydrophobicContact CB-CB 4.37Å; N188-D229 PolarHBondContact ND2-OD1 3.29Å |
| 189 | V | 93.6 | Very high | 93.6 | Very high | 64 Ų | 64 | 30.7 Ų | 30.7 | 39% | 0.388 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.9 | -44.9 | 173.7 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | L148 S187 K192 C193 | L148-V189 WeakPolarHBondContact O-CG1 3.24Å; S187-V189 VanDerWaalsContact C-N 3.27Å; S187-V189 PolarHBondContact O-N 3.34Å; S187-V189 PolarHBondContact OG-N 2.81Å; V189-K192 PolarHBondContact O-N 3.02Å; V189-C193 PolarHBondContact O-N 3.38Å; V189-C193 PolarHBondContact O-SG 3.39Å |
| 190 | T | 94.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.1 | -48.8 | 176 | -48.2 | 0 | 0 | 0 | 0 | 110.4 | I145 S149 S187 N188 K192 C193 I194 | I145-T190 HydrophobicContact CG2-CG2 4.22Å; S149-T190 WeakPolarHBondContact CB-OG1 3.16Å; S149-T190 PolarHBondContact OG-OG1 3.39Å; S187-T190 VanDerWaalsContact CB-OG1 3.23Å; S187-T190 WeakPolarHBondContact CB-OG1 3.03Å; S187-T190 PolarHBondContact O-N 3.03Å; S187-T190 PolarHBondContact OG-N 3.28Å; S187-T190 VanDerWaalsContact OG-N 3.09Å; S187-T190 PolarHBondContact OG-OG1 3.12Å; N188-T190 VanDerWaalsContact C-N 3.33Å; N188-T190 PolarHBondContact O-N 2.91Å; T190-K192 PolarHBondContact O-N 3.34Å; T190-C193 PolarHBondContact O-N 2.74Å; T190-I194 WeakPolarHBondContact O-CG1 3.37Å; T190-I194 PolarHBondContact O-N 3.37Å |
| 191 | R | 95.1 | Very high | 93.7 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | -179.8 | -59.3 | -163.9 | -51.7 | -82.6 | 0.1 | 112.6 | L183 S185 K186 S187 N188 I194 C195 D227 | L183-R191 HydrophobicContact CD2-CB 4.46Å; L183-R191 WeakPolarHBondContact O-CD 3.36Å; S185-R191 WeakPolarHBondContact O-CD 3.17Å; S185-R191 WeakPolarHBondContact O-CG 2.72Å; S185-R191 PolarHBondContact O-NH1 3.36Å; K186-R191 PolarHBondContact O-NH1 2.89Å; S187-R191 PolarHBondContact O-N 3.16Å; N188-R191 PolarHBondContact O-N 3.39Å; R191-I194 PolarHBondContact O-N 2.59Å; R191-C195 WeakPolarHBondContact O-CB 3.47Å; R191-C195 PolarHBondContact O-N 3.43Å; R191-C195 PolarHBondContact O-SG 2.87Å; R191-D227 WeakPolarHBondContact CD-OD2 3.35Å; R191-D227 IonicContact CZ-OD1 3.29Å; R191-D227 IonicContact CZ-OD2 2.97Å; R191-D227 IonicContact NE-OD1 2.81Å; R191-D227 PolarHBondContact NE-OD1 3.21Å; R191-D227 IonicContact NE-OD2 3.77Å; R191-D227 PolarHBondContact NE-OD2 2.8Å; R191-D227 IonicContact NH2-OD1 3.74Å; R191-D227 PolarHBondContact NH2-OD1 3.36Å; R191-D227 IonicContact NH2-OD2 3.77Å |
| 192 | K | 94.6 | Very high | 93.8 | Very high | 22 Ų | 22 | 29.5 Ų | 29.5 | 10% | 0.096 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -53.9 | -53.3 | 172.3 | 172.5 | -171.5 | 167.1 | 178 | 0 | 111 | S20 N188 V189 T190 I194 C195 E196 E231 F235 | S20-K192 PolarHBondContact OG-NZ 3.48Å; N188-K192 VanDerWaalsContact O-CB 3.28Å; N188-K192 WeakPolarHBondContact O-CB 3.48Å; N188-K192 PolarHBondContact O-N 3.02Å; V189-K192 PolarHBondContact O-N 3.02Å; T190-K192 PolarHBondContact O-N 3.34Å; K192-I194 PolarHBondContact O-N 3.45Å; K192-C195 WeakPolarHBondContact O-CB 3.44Å; K192-C195 PolarHBondContact O-N 3.22Å; K192-E196 PolarHBondContact O-N 2.95Å; K192-E231 HydrophobicContact CD-CB 3.86Å; K192-E231 HydrophobicContact CD-CG 4.5Å; K192-E231 WeakPolarHBondContact CD-OE2 3.42Å; K192-E231 VanDerWaalsContact CE-CD 3.42Å; K192-E231 VanDerWaalsContact CE-OE1 3.31Å; K192-E231 WeakPolarHBondContact CE-OE1 3.44Å; K192-E231 VanDerWaalsContact CE-OE2 3.28Å; K192-E231 WeakPolarHBondContact CE-OE2 3.26Å; K192-E231 HydrophobicContact CG-CB 3.97Å; K192-E231 IonicContact NZ-OE1 2.68Å; K192-E231 PolarHBondContact NZ-OE1 3.28Å; K192-E231 IonicContact NZ-OE2 3.59Å; K192-E231 PolarHBondContact NZ-OE2 3.24Å; K192-F235 HydrophobicContact CD-CE2 4.37Å; K192-F235 HydrophobicContact CG-CD2 4.08Å; K192-F235 HydrophobicContact CG-CE2 3.77Å |
| 193 | C | 94.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | -179.5 | -69.6 | 0 | 0 | 0 | 0 | 112.5 | L148 V189 T190 C195 E196 F197 | L148-C193 HydrophobicContact CD1-CB 4.29Å; V189-C193 PolarHBondContact O-N 3.38Å; V189-C193 PolarHBondContact O-SG 3.39Å; T190-C193 PolarHBondContact O-N 2.74Å; C193-C195 VanDerWaalsContact C-N 3.35Å; C193-C195 PolarHBondContact O-N 2.82Å; C193-E196 WeakPolarHBondContact O-CB 3.35Å; C193-E196 PolarHBondContact O-N 3.35Å; C193-F197 HydrophobicContact CB-CE2 3.98Å; C193-F197 HydrophobicContact CB-CZ 4.09Å; C193-F197 WeakPolarHBondContact O-CD2 3.44Å; C193-F197 WeakPolarHBondContact O-CG 3.47Å; C193-F197 PolarHBondContact O-N 3.1Å |
| 194 | I | 95.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 174 | -58.4 | -65.1 | 0 | 0 | 0 | 111.3 | L148 L179 L183 T190 R191 K192 E196 F197 L198 | L148-I194 HydrophobicContact CD1-CD1 4.45Å; L179-I194 HydrophobicContact CB-CD1 4.24Å; L179-I194 HydrophobicContact CD2-CD1 3.64Å; L179-I194 WeakPolarHBondContact O-CG2 3.39Å; L183-I194 HydrophobicContact CD1-CG2 4.36Å; L183-I194 HydrophobicContact CD2-CB 3.77Å; L183-I194 HydrophobicContact CD2-CG2 3.66Å; L183-I194 HydrophobicContact CG-CB 4.28Å; L183-I194 HydrophobicContact CG-CG2 3.7Å; T190-I194 WeakPolarHBondContact O-CG1 3.37Å; T190-I194 PolarHBondContact O-N 3.37Å; R191-I194 PolarHBondContact O-N 2.59Å; K192-I194 PolarHBondContact O-N 3.45Å; I194-E196 VanDerWaalsContact C-N 3.32Å; I194-E196 PolarHBondContact O-N 3.19Å; I194-F197 HydrophobicContact CD1-CD2 4.16Å; I194-F197 PolarHBondContact O-N 2.94Å; I194-L198 PolarHBondContact O-N 2.84Å |
| 195 | C | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.5 | -36.1 | 174.6 | -69.7 | 0 | 0 | 0 | 0 | 112.7 | L183 R191 K192 C193 L198 A232 F235 T236 | L183-C195 VanDerWaalsContact CD2-SG 3.54Å; R191-C195 WeakPolarHBondContact O-CB 3.47Å; R191-C195 PolarHBondContact O-N 3.43Å; R191-C195 PolarHBondContact O-SG 2.87Å; K192-C195 WeakPolarHBondContact O-CB 3.44Å; K192-C195 PolarHBondContact O-N 3.22Å; C193-C195 VanDerWaalsContact C-N 3.35Å; C193-C195 PolarHBondContact O-N 2.82Å; C195-L198 WeakPolarHBondContact O-CB 3.36Å; C195-L198 PolarHBondContact O-N 3.24Å; C195-A232 HydrophobicContact CB-CB 4.36Å; C195-F235 HydrophobicContact CB-CB 4.06Å; C195-T236 PolarHBondContact SG-OG1 3.11Å; C195-T236 VanDerWaalsContact SG-OG1 3.39Å |
| 196 | E | 94.8 | Very high | 93.7 | Very high | 14 Ų | 14 | 32 Ų | 32 | 7% | 0.065 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 172.5 | -177.6 | 177 | -168.9 | 0 | 0 | 111.7 | R164 K192 C193 I194 L198 E199 F235 | R164-E196 IonicContact CZ-OE1 2.69Å; R164-E196 IonicContact NH2-OE1 2.76Å; R164-E196 PolarHBondContact NH2-OE1 3.35Å; K192-E196 PolarHBondContact O-N 2.95Å; C193-E196 WeakPolarHBondContact O-CB 3.35Å; C193-E196 PolarHBondContact O-N 3.35Å; I194-E196 VanDerWaalsContact C-N 3.32Å; I194-E196 PolarHBondContact O-N 3.19Å; E196-L198 VanDerWaalsContact C-N 3.25Å; E196-L198 PolarHBondContact O-N 2.94Å; E196-E199 WeakPolarHBondContact O-CB 3.39Å; E196-E199 PolarHBondContact O-N 3.24Å; E196-E199 VanDerWaalsContact O-N 3.1Å; E196-F235 HydrophobicContact CB-CB 4.32Å; E196-F235 HydrophobicContact CB-CD1 3.82Å; E196-F235 HydrophobicContact CB-CD2 4.02Å; E196-F235 HydrophobicContact CB-CE1 4.06Å; E196-F235 HydrophobicContact CB-CE2 4.27Å; E196-F235 HydrophobicContact CB-CG 3.8Å; E196-F235 HydrophobicContact CB-CZ 4.29Å; E196-F235 HydrophobicContact CG-CD1 3.82Å; E196-F235 HydrophobicContact CG-CE1 3.71Å; E196-F235 HydrophobicContact CG-CG 4.32Å; E196-F235 HydrophobicContact CG-CZ 4.14Å |
| 197 | F | 95.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.1 | -20.9 | 177.6 | -60.5 | -31 | 0 | 0 | 0 | 113.9 | L148 V160 M163 R164 L167 C193 I194 E199 I200 I201 | L148-F197 HydrophobicContact CD1-CE2 3.96Å; L148-F197 HydrophobicContact CD2-CE2 4.16Å; L148-F197 HydrophobicContact CD2-CZ 4.07Å; V160-F197 HydrophobicContact CG1-CE1 4.34Å; V160-F197 HydrophobicContact CG1-CZ 4.32Å; M163-F197 HydrophobicContact CB-CE1 4.34Å; M163-F197 HydrophobicContact CB-CE2 3.95Å; M163-F197 HydrophobicContact CB-CZ 3.74Å; M163-F197 HydrophobicContact CG-CD2 3.73Å; M163-F197 HydrophobicContact CG-CE1 4.25Å; M163-F197 HydrophobicContact CG-CE2 3.34Å; M163-F197 HydrophobicContact CG-CG 4.37Å; M163-F197 HydrophobicContact CG-CZ 3.63Å; R164-F197 HydrophobicContact CG-CD1 4.3Å; R164-F197 HydrophobicContact CG-CE1 3.82Å; L167-F197 HydrophobicContact CD1-CB 3.62Å; L167-F197 HydrophobicContact CD1-CD1 4.46Å; L167-F197 HydrophobicContact CD1-CD2 4.31Å; L167-F197 HydrophobicContact CD1-CG 3.89Å; C193-F197 HydrophobicContact CB-CE2 3.98Å; C193-F197 HydrophobicContact CB-CZ 4.09Å; C193-F197 WeakPolarHBondContact O-CD2 3.44Å; C193-F197 WeakPolarHBondContact O-CG 3.47Å; C193-F197 PolarHBondContact O-N 3.1Å; I194-F197 HydrophobicContact CD1-CD2 4.16Å; I194-F197 PolarHBondContact O-N 2.94Å; F197-E199 VanDerWaalsContact C-N 3.26Å; F197-E199 PolarHBondContact O-N 2.99Å; F197-I200 HydrophobicContact CD1-CD1 4.18Å; F197-I200 WeakPolarHBondContact O-CB 3.24Å; F197-I200 PolarHBondContact O-N 3.31Å; F197-I200 VanDerWaalsContact O-N 3.09Å; F197-I201 WeakPolarHBondContact O-CG1 3.49Å; F197-I201 PolarHBondContact O-N 3.49Å |
| 198 | L | 94.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.7 | -35.5 | 169.7 | -63.3 | 177.6 | 0 | 0 | 0 | 112 | I194 C195 E196 I200 I201 F202 A220 L221 T236 | I194-L198 PolarHBondContact O-N 2.84Å; C195-L198 WeakPolarHBondContact O-CB 3.36Å; C195-L198 PolarHBondContact O-N 3.24Å; E196-L198 VanDerWaalsContact C-N 3.25Å; E196-L198 PolarHBondContact O-N 2.94Å; L198-I200 PolarHBondContact O-N 3.39Å; L198-I201 HydrophobicContact CD2-CD1 4.45Å; L198-I201 PolarHBondContact O-N 3.41Å; L198-F202 HydrophobicContact CB-CD2 4.27Å; L198-F202 HydrophobicContact CB-CE2 4.15Å; L198-F202 WeakPolarHBondContact O-CD2 3.31Å; L198-F202 PolarHBondContact O-N 3.03Å; L198-A220 HydrophobicContact CD1-CB 4.16Å; L198-A220 HydrophobicContact CD2-CB 4.08Å; L198-L221 HydrophobicContact CD1-CD2 4.43Å; L198-T236 HydrophobicContact CD1-CG2 4.31Å |
| 199 | E | 92.1 | Very high | 93.1 | Very high | 19 Ų | 19 | 26.2 Ų | 26.2 | 9% | 0.089 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.2 | -23 | 176.1 | -165 | 175.7 | 164.4 | 0 | 0 | 111.9 | L16 E196 F197 R203 R238 L242 | L16-E199 HydrophobicContact CD1-CG 4.4Å; L16-E199 HydrophobicContact CD2-CB 4.4Å; L16-E199 HydrophobicContact CD2-CG 4.23Å; L16-E199 HydrophobicContact CG-CG 4.36Å; E196-E199 WeakPolarHBondContact O-CB 3.39Å; E196-E199 PolarHBondContact O-N 3.24Å; E196-E199 VanDerWaalsContact O-N 3.1Å; F197-E199 VanDerWaalsContact C-N 3.26Å; F197-E199 PolarHBondContact O-N 2.99Å; E199-R203 WeakPolarHBondContact O-CB 3.4Å; E199-R238 IonicContact OE1-CZ 2.77Å; E199-R238 IonicContact OE1-NE 2.7Å; E199-R238 PolarHBondContact OE1-NE 2.92Å; E199-R238 IonicContact OE1-NH2 3.91Å; E199-R238 PolarHBondContact OE1-NH2 3.18Å; E199-R238 IonicContact OE2-CZ 2.73Å; E199-R238 IonicContact OE2-NE 3.27Å; E199-R238 PolarHBondContact OE2-NE 3.37Å; E199-R238 IonicContact OE2-NH2 2.6Å; E199-R238 PolarHBondContact OE2-NH2 3.29Å; E199-L242 HydrophobicContact CG-CD1 3.95Å; E199-L242 WeakPolarHBondContact O-CD1 3.16Å |
| 200 | I | 93.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -78.9 | -52.3 | 170.1 | -55.7 | -175.2 | 0 | 0 | 0 | 110 | L16 R164 L167 E168 F197 L198 F202 R203 T204 | L16-I200 HydrophobicContact CD2-CG1 4.45Å; R164-I200 HydrophobicContact CB-CD1 3.98Å; R164-I200 HydrophobicContact CG-CD1 3.61Å; L167-I200 HydrophobicContact CB-CG2 4.02Å; E168-I200 HydrophobicContact CG-CG2 3.67Å; F197-I200 HydrophobicContact CD1-CD1 4.18Å; F197-I200 WeakPolarHBondContact O-CB 3.24Å; F197-I200 PolarHBondContact O-N 3.31Å; F197-I200 VanDerWaalsContact O-N 3.09Å; L198-I200 PolarHBondContact O-N 3.39Å; I200-F202 PolarHBondContact O-N 3.06Å; I200-R203 CarbonylContact O-C 3.45Å; I200-R203 WeakPolarHBondContact O-CA 3.48Å; I200-R203 WeakPolarHBondContact O-CB 3.47Å; I200-R203 PolarHBondContact O-N 3.15Å; I200-T204 HydrophobicContact CG2-CG2 4.36Å; I200-T204 PolarHBondContact O-N 3.19Å; I200-T204 PolarHBondContact O-OG1 3.24Å |
| 201 | I | 94.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.015 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.5 | -48.6 | -178.7 | -70.1 | 157.9 | 0 | 0 | 0 | 111.4 | L167 L176 F197 L198 R203 W205 L210 L217 | L167-I201 HydrophobicContact CD1-CD1 4.27Å; L167-I201 HydrophobicContact CD1-CG1 4.36Å; L167-I201 HydrophobicContact CD2-CD1 4.31Å; L167-I201 HydrophobicContact CD2-CG1 4.09Å; L176-I201 HydrophobicContact CD2-CD1 3.7Å; L176-I201 HydrophobicContact CD2-CG1 4.26Å; L176-I201 HydrophobicContact CD2-CG2 4.02Å; F197-I201 WeakPolarHBondContact O-CG1 3.49Å; F197-I201 PolarHBondContact O-N 3.49Å; L198-I201 HydrophobicContact CD2-CD1 4.45Å; L198-I201 PolarHBondContact O-N 3.41Å; I201-R203 PolarHBondContact O-N 3.29Å; I201-W205 HydrophobicContact CG1-CZ2 4.49Å; I201-W205 HydrophobicContact CG2-CD2 4.13Å; I201-W205 HydrophobicContact CG2-CE3 4.31Å; I201-W205 HydrophobicContact CG2-CG 4.3Å; I201-W205 VanDerWaalsContact O-CB 3.3Å; I201-W205 WeakPolarHBondContact O-CB 3.07Å; I201-W205 PolarHBondContact O-N 3.25Å; I201-W205 VanDerWaalsContact O-N 3.13Å; I201-L210 HydrophobicContact CG2-CD2 3.57Å; I201-L217 HydrophobicContact CG2-CD2 4.09Å |
| 202 | F | 93.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -73 | -8.7 | 176.5 | -63.6 | -59 | 0 | 0 | 0 | 114.1 | L198 I200 L210 L217 L221 L242 F243 K246 | L198-F202 HydrophobicContact CB-CD2 4.27Å; L198-F202 HydrophobicContact CB-CE2 4.15Å; L198-F202 WeakPolarHBondContact O-CD2 3.31Å; L198-F202 PolarHBondContact O-N 3.03Å; I200-F202 PolarHBondContact O-N 3.06Å; F202-L210 HydrophobicContact CD1-CD2 4.42Å; F202-L217 HydrophobicContact CE1-CB 4.17Å; F202-L217 HydrophobicContact CE1-CD1 4.14Å; F202-L217 HydrophobicContact CE1-CD2 4.14Å; F202-L217 HydrophobicContact CE1-CG 4.39Å; F202-L217 HydrophobicContact CZ-CB 4.03Å; F202-L217 HydrophobicContact CZ-CD2 4.1Å; F202-L221 HydrophobicContact CE2-CD1 4.24Å; F202-L221 HydrophobicContact CE2-CD2 3.95Å; F202-L221 HydrophobicContact CE2-CG 4.2Å; F202-L221 HydrophobicContact CZ-CD1 3.99Å; F202-L221 HydrophobicContact CZ-CD2 4.47Å; F202-L221 HydrophobicContact CZ-CG 4.24Å; F202-L242 HydrophobicContact CB-CB 3.59Å; F202-L242 HydrophobicContact CB-CD1 4.24Å; F202-F243 HydrophobicContact CD1-CD2 4.3Å; F202-F243 HydrophobicContact CE1-CB 4.44Å; F202-F243 AromaticContact CE1-CD2 3.62Å; F202-F243 HydrophobicContact CE1-CD2 3.62Å; F202-F243 HydrophobicContact CE1-CE2 4.38Å; F202-F243 HydrophobicContact CE1-CG 4.45Å; F202-F243 HydrophobicContact CE2-CB 4.48Å; F202-F243 HydrophobicContact CZ-CB 4.4Å; F202-F243 AromaticContact CZ-CD2 3.85Å; F202-F243 HydrophobicContact CZ-CD2 3.85Å; F202-F243 HydrophobicContact CZ-CG 4.42Å; F202-K246 WeakPolarHBondContact O-CE 3.35Å |
| 203 | R | 92.6 | Very high | 92.5 | Very high | 79 Ų | 79 | 27.9 Ų | 27.9 | 30% | 0.298 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -93 | -49.2 | 173.7 | 175.2 | 172 | 54.5 | 94.1 | -0.6 | 112.1 | E168 E199 I200 I201 L242 | E168-R203 IonicContact OE1-CZ 3.65Å; E168-R203 VanDerWaalsContact OE1-CZ 3.23Å; E168-R203 IonicContact OE1-NH1 3.26Å; E168-R203 PolarHBondContact OE1-NH1 3.45Å; E168-R203 IonicContact OE1-NH2 2.73Å; E168-R203 PolarHBondContact OE1-NH2 3.37Å; E199-R203 WeakPolarHBondContact O-CB 3.4Å; I200-R203 CarbonylContact O-C 3.45Å; I200-R203 WeakPolarHBondContact O-CA 3.48Å; I200-R203 WeakPolarHBondContact O-CB 3.47Å; I200-R203 PolarHBondContact O-N 3.15Å; I201-R203 PolarHBondContact O-N 3.29Å; R203-L242 HydrophobicContact CB-CD1 4.05Å |
| 204 | T | 90.9 | Very high | 92.4 | Very high | 44 Ų | 44 | 28.9 Ų | 28.9 | 27% | 0.27 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -96.5 | -26.8 | -168.7 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | L167 E168 I200 | L167-T204 PolarHBondContact O-OG1 3.15Å; E168-T204 HydrophobicContact CG-CG2 4.17Å; I200-T204 HydrophobicContact CG2-CG2 4.36Å; I200-T204 PolarHBondContact O-N 3.19Å; I200-T204 PolarHBondContact O-OG1 3.24Å |
| 205 | W | 93.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -81.6 | 143.3 | -171.5 | -69.3 | 25.7 | 0 | 0 | 0 | 112.6 | L167 C171 S172 L175 L176 I201 I209 L210 K246 | L167-W205 HydrophobicContact CD2-CZ2 3.61Å; L167-W205 PolarHBondContact O-NE1 2.71Å; C171-W205 HydrophobicContact CB-CD2 4.36Å; C171-W205 HydrophobicContact CB-CG 4.34Å; S172-W205 WeakPolarHBondContact O-CH2 3.38Å; L175-W205 HydrophobicContact CB-CH2 4.4Å; L176-W205 HydrophobicContact CD1-CE3 4.17Å; L176-W205 HydrophobicContact CD1-CH2 4.31Å; L176-W205 HydrophobicContact CD1-CZ3 3.54Å; L176-W205 HydrophobicContact CD2-CE3 4.41Å; L176-W205 HydrophobicContact CD2-CH2 3.81Å; L176-W205 HydrophobicContact CD2-CZ3 3.75Å; L176-W205 HydrophobicContact CG-CE3 4.39Å; L176-W205 HydrophobicContact CG-CH2 3.7Å; L176-W205 HydrophobicContact CG-CZ3 3.44Å; L176-W205 VanDerWaalsContact CG-CZ3 3.44Å; I201-W205 HydrophobicContact CG1-CZ2 4.49Å; I201-W205 HydrophobicContact CG2-CD2 4.13Å; I201-W205 HydrophobicContact CG2-CE3 4.31Å; I201-W205 HydrophobicContact CG2-CG 4.3Å; I201-W205 VanDerWaalsContact O-CB 3.3Å; I201-W205 WeakPolarHBondContact O-CB 3.07Å; I201-W205 PolarHBondContact O-N 3.25Å; I201-W205 VanDerWaalsContact O-N 3.13Å; W205-I209 HydrophobicContact CE3-CG2 3.58Å; W205-I209 HydrophobicContact CZ3-CG2 3.83Å; W205-L210 HydrophobicContact CB-CD1 4.11Å; W205-L210 HydrophobicContact CB-CD2 3.92Å; W205-L210 HydrophobicContact CB-CG 3.95Å; W205-L210 HydrophobicContact CE3-CD2 4.37Å; W205-L210 WeakPolarHBondContact O-CD1 3.15Å; W205-K246 PolarHBondContact O-NZ 3.39Å |
| 206 | P | 90 | Very high | 92.1 | Very high | 53 Ų | 53 | 32.4 Ų | 32.4 | 34% | 0.344 | 17% | 0.168 | S | C | . | . | trans | -71.9 | 150.1 | 179.8 | 31.8 | -36.6 | 0 | 0 | 0 | 111.4 | N208 I209 L210 | P206-N208 VanDerWaalsContact C-N 3.3Å; P206-N208 WeakPolarHBondContact CB-OD1 3.39Å; P206-N208 WeakPolarHBondContact CG-OD1 3.45Å; P206-N208 PolarHBondContact O-N 3.06Å; P206-I209 HydrophobicContact CG-CB 4.26Å; P206-I209 HydrophobicContact CG-CD1 3.73Å; P206-I209 HydrophobicContact CG-CG1 3.93Å; P206-I209 PolarHBondContact O-N 3.25Å; P206-L210 PolarHBondContact O-N 3.3Å | ||
| 207 | L | 89.2 | Confident | 92 | Very high | 81 Ų | 81 | 31.7 Ų | 31.7 | 42% | 0.424 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -53.5 | -46.7 | -176.3 | -71.3 | 168 | 0 | 0 | 0 | 111.9 | I209 L210 E211 K246 F247 | L207-I209 PolarHBondContact O-N 3.23Å; L207-L210 PolarHBondContact O-N 3.34Å; L207-E211 WeakPolarHBondContact CB-OE1 3.35Å; L207-E211 WeakPolarHBondContact O-CB 3.48Å; L207-E211 VanDerWaalsContact O-CG 3.28Å; L207-E211 WeakPolarHBondContact O-CG 3.33Å; L207-E211 PolarHBondContact O-N 3.13Å; L207-K246 HydrophobicContact CD2-CB 3.64Å; L207-K246 HydrophobicContact CD2-CD 3.94Å; L207-K246 HydrophobicContact CD2-CG 3.68Å; L207-F247 HydrophobicContact CD2-CE1 4.46Å; L207-F247 HydrophobicContact CD2-CZ 4.25Å |
| 208 | N | 89.8 | Confident | 91.9 | Very high | 86 Ų | 86 | 33.1 Ų | 33.1 | 46% | 0.46 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.8 | 1.7 | 178.9 | 77.7 | -24.9 | 0 | 0 | 0 | 116.1 | P206 K212 | P206-N208 VanDerWaalsContact C-N 3.3Å; P206-N208 WeakPolarHBondContact CB-OD1 3.39Å; P206-N208 WeakPolarHBondContact CG-OD1 3.45Å; P206-N208 PolarHBondContact O-N 3.06Å; N208-K212 WeakPolarHBondContact O-CD 3.44Å; N208-K212 WeakPolarHBondContact O-CE 3.47Å; N208-K212 VanDerWaalsContact O-CG 3.3Å; N208-K212 WeakPolarHBondContact O-CG 3.28Å; N208-K212 PolarHBondContact O-NZ 3.46Å; N208-K212 VanDerWaalsContact O-NZ 3.14Å |
| 209 | I | 89.5 | Confident | 91.8 | Very high | 26 Ų | 26 | 33.4 Ų | 33.4 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -110.8 | -38.1 | 167.6 | -65.7 | -178.7 | 0 | 0 | 0 | 110 | C171 W205 P206 L207 K212 N213 | C171-I209 HydrophobicContact CB-CD1 4.21Å; C171-I209 VanDerWaalsContact O-CD1 3.31Å; C171-I209 WeakPolarHBondContact O-CD1 3.39Å; W205-I209 HydrophobicContact CE3-CG2 3.58Å; W205-I209 HydrophobicContact CZ3-CG2 3.83Å; P206-I209 HydrophobicContact CG-CB 4.26Å; P206-I209 HydrophobicContact CG-CD1 3.73Å; P206-I209 HydrophobicContact CG-CG1 3.93Å; P206-I209 PolarHBondContact O-N 3.25Å; L207-I209 PolarHBondContact O-N 3.23Å; I209-K212 WeakPolarHBondContact O-CB 3.43Å; I209-K212 PolarHBondContact O-N 2.62Å; I209-N213 PolarHBondContact O-ND2 3.39Å |
| 210 | L | 92.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.3 | -42.2 | 178.6 | -64.2 | 171 | 0 | 0 | 0 | 112 | I201 F202 W205 P206 L207 K212 N213 L214 L217 K246 F247 | I201-L210 HydrophobicContact CG2-CD2 3.57Å; F202-L210 HydrophobicContact CD1-CD2 4.42Å; W205-L210 HydrophobicContact CB-CD1 4.11Å; W205-L210 HydrophobicContact CB-CD2 3.92Å; W205-L210 HydrophobicContact CB-CG 3.95Å; W205-L210 HydrophobicContact CE3-CD2 4.37Å; W205-L210 WeakPolarHBondContact O-CD1 3.15Å; P206-L210 PolarHBondContact O-N 3.3Å; L207-L210 PolarHBondContact O-N 3.34Å; L210-K212 PolarHBondContact O-N 3.44Å; L210-N213 CarbonylContact O-C 3.54Å; L210-N213 PolarHBondContact O-N 2.93Å; L210-N213 VanDerWaalsContact O-N 3.13Å; L210-L214 WeakPolarHBondContact O-CA 3.43Å; L210-L214 PolarHBondContact O-N 2.85Å; L210-L217 HydrophobicContact CB-CD1 4.08Å; L210-L217 HydrophobicContact CD2-CD1 3.64Å; L210-L217 HydrophobicContact CG-CD1 4.49Å; L210-L217 WeakPolarHBondContact O-CD1 3.07Å; L210-K246 HydrophobicContact CD1-CD 3.45Å; L210-K246 VanDerWaalsContact CD1-CD 3.45Å; L210-F247 HydrophobicContact CB-CE2 3.81Å; L210-F247 HydrophobicContact CB-CZ 3.74Å |
| 211 | E | 91.1 | Very high | 91.9 | Very high | 81 Ų | 81 | 32.4 Ų | 32.4 | 38% | 0.379 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -50.8 | -45.5 | 171.4 | -72.2 | 158.3 | -159.2 | 0 | 0 | 111.8 | L207 N213 L214 F247 | L207-E211 WeakPolarHBondContact CB-OE1 3.35Å; L207-E211 WeakPolarHBondContact O-CB 3.48Å; L207-E211 VanDerWaalsContact O-CG 3.28Å; L207-E211 WeakPolarHBondContact O-CG 3.33Å; L207-E211 PolarHBondContact O-N 3.13Å; E211-N213 PolarHBondContact O-N 3.36Å; E211-L214 VanDerWaalsContact O-CB 3.26Å; E211-L214 WeakPolarHBondContact O-CB 3.4Å; E211-L214 PolarHBondContact O-N 3.21Å; E211-F247 HydrophobicContact CG-CE1 3.65Å; E211-F247 HydrophobicContact CG-CZ 4.02Å |
| 212 | K | 90.5 | Very high | 91.8 | Very high | 71 Ų | 71 | 36.5 Ų | 36.5 | 31% | 0.309 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -63 | -28.9 | -176.2 | -55 | -171.5 | 168.3 | 154.7 | 0 | 113.2 | N208 I209 L210 Y1001 | N208-K212 WeakPolarHBondContact O-CD 3.44Å; N208-K212 WeakPolarHBondContact O-CE 3.47Å; N208-K212 VanDerWaalsContact O-CG 3.3Å; N208-K212 WeakPolarHBondContact O-CG 3.28Å; N208-K212 PolarHBondContact O-NZ 3.46Å; N208-K212 VanDerWaalsContact O-NZ 3.14Å; I209-K212 WeakPolarHBondContact O-CB 3.43Å; I209-K212 PolarHBondContact O-N 2.62Å; L210-K212 PolarHBondContact O-N 3.44Å; K212-Y1001 VanDerWaalsContact CA-CE2 3.46Å; K212-Y1001 HydrophobicContact CB-CD1 4.38Å; K212-Y1001 HydrophobicContact CB-CD2 3.48Å; K212-Y1001 VanDerWaalsContact CB-CD2 3.48Å; K212-Y1001 HydrophobicContact CB-CE2 3.82Å; K212-Y1001 HydrophobicContact CB-CG 3.77Å; K212-Y1001 HydrophobicContact CD-CD1 3.55Å; K212-Y1001 HydrophobicContact CD-CD2 4.21Å; K212-Y1001 HydrophobicContact CD-CE1 4Å; K212-Y1001 HydrophobicContact CD-CG 3.61Å; K212-Y1001 HydrophobicContact CG-CD1 3.64Å; K212-Y1001 HydrophobicContact CG-CD2 3.61Å; K212-Y1001 HydrophobicContact CG-CE1 3.7Å; K212-Y1001 HydrophobicContact CG-CE2 3.71Å; K212-Y1001 HydrophobicContact CG-CG 3.54Å |
| 213 | N | 90.8 | Very high | 91.8 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -112.4 | 13.3 | -175.7 | -61.1 | -83.8 | 0 | 0 | 0 | 111.7 | S173 L176 I209 L210 E211 S215 V216 L217 | S173-N213 PolarHBondContact OG-ND2 2.81Å; L176-N213 HydrophobicContact CD1-CB 3.53Å; I209-N213 PolarHBondContact O-ND2 3.39Å; L210-N213 CarbonylContact O-C 3.54Å; L210-N213 PolarHBondContact O-N 2.93Å; L210-N213 VanDerWaalsContact O-N 3.13Å; E211-N213 PolarHBondContact O-N 3.36Å; N213-S215 VanDerWaalsContact C-N 3.29Å; N213-S215 PolarHBondContact O-N 2.8Å; N213-V216 WeakPolarHBondContact O-CA 3.5Å; N213-V216 WeakPolarHBondContact O-CB 3.28Å; N213-V216 PolarHBondContact O-N 3.07Å; N213-L217 HydrophobicContact CB-CD1 4.22Å; N213-L217 HydrophobicContact CB-CG 4.41Å; N213-L217 PolarHBondContact O-N 3.33Å |
| 214 | L | 91.9 | Very high | 91.8 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 15% | 0.152 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.3 | -38.7 | -169 | -177.3 | 62.4 | 0 | 0 | 0 | 113.3 | L210 E211 V216 L217 Q218 F243 F247 Q250 | L210-L214 WeakPolarHBondContact O-CA 3.43Å; L210-L214 PolarHBondContact O-N 2.85Å; E211-L214 VanDerWaalsContact O-CB 3.26Å; E211-L214 WeakPolarHBondContact O-CB 3.4Å; E211-L214 PolarHBondContact O-N 3.21Å; L214-V216 VanDerWaalsContact C-N 3.32Å; L214-V216 PolarHBondContact O-N 2.89Å; L214-L217 PolarHBondContact O-N 3.45Å; L214-Q218 HydrophobicContact CD1-CG 4.44Å; L214-Q218 WeakPolarHBondContact O-CB 3.45Å; L214-Q218 WeakPolarHBondContact O-CG 3.48Å; L214-Q218 PolarHBondContact O-N 3.4Å; L214-F243 HydrophobicContact CD1-CE2 3.62Å; L214-F243 HydrophobicContact CD1-CZ 4.07Å; L214-F247 HydrophobicContact CD1-CD1 4.45Å; L214-F247 HydrophobicContact CD1-CD2 3.99Å; L214-F247 HydrophobicContact CD1-CE2 4.23Å; L214-F247 HydrophobicContact CD1-CG 4.11Å; L214-Q250 HydrophobicContact CD2-CB 4.23Å; L214-Q250 HydrophobicContact CD2-CG 4.01Å |
| 215 | S | 91.2 | Very high | 91.9 | Very high | 48 Ų | 48 | 34.9 Ų | 34.9 | 34% | 0.336 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.8 | -33 | 175.9 | 45.3 | 0 | 0 | 0 | 0 | 113 | N213 D219 R1008 | N213-S215 VanDerWaalsContact C-N 3.29Å; N213-S215 PolarHBondContact O-N 2.8Å; S215-D219 VanDerWaalsContact O-CB 3.29Å; S215-D219 WeakPolarHBondContact O-CB 3.5Å; S215-D219 PolarHBondContact O-N 3.01Å; S215-D219 VanDerWaalsContact O-N 3.14Å; S215-R1008 PolarHBondContact OG-NH2 3.1Å |
| 216 | V | 92.2 | Very high | 91.9 | Very high | 29 Ų | 29 | 37.8 Ų | 37.8 | 18% | 0.176 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -77.9 | -37.1 | 177.1 | -159.1 | 0 | 0 | 0 | 0 | 110.6 | I180 N213 L214 D219 A220 | I180-V216 HydrophobicContact CB-CG1 4.27Å; I180-V216 HydrophobicContact CD1-CB 4.28Å; I180-V216 HydrophobicContact CD1-CG1 3.7Å; I180-V216 HydrophobicContact CG2-CG1 4.04Å; N213-V216 WeakPolarHBondContact O-CA 3.5Å; N213-V216 WeakPolarHBondContact O-CB 3.28Å; N213-V216 PolarHBondContact O-N 3.07Å; L214-V216 VanDerWaalsContact C-N 3.32Å; L214-V216 PolarHBondContact O-N 2.89Å; V216-D219 WeakPolarHBondContact O-CB 3.49Å; V216-D219 PolarHBondContact O-N 2.71Å; V216-A220 PolarHBondContact O-N 2.79Å |
| 217 | L | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.3 | -40.7 | 175.5 | -69.5 | 166 | 0 | 0 | 0 | 112.2 | L176 I180 I201 F202 L210 N213 L214 A220 L221 | L176-L217 HydrophobicContact CD1-CD2 4.32Å; L176-L217 HydrophobicContact CD2-CD2 4.25Å; I180-L217 HydrophobicContact CD1-CD2 4.24Å; I201-L217 HydrophobicContact CG2-CD2 4.09Å; F202-L217 HydrophobicContact CE1-CB 4.17Å; F202-L217 HydrophobicContact CE1-CD1 4.14Å; F202-L217 HydrophobicContact CE1-CD2 4.14Å; F202-L217 HydrophobicContact CE1-CG 4.39Å; F202-L217 HydrophobicContact CZ-CB 4.03Å; F202-L217 HydrophobicContact CZ-CD2 4.1Å; L210-L217 HydrophobicContact CB-CD1 4.08Å; L210-L217 HydrophobicContact CD2-CD1 3.64Å; L210-L217 HydrophobicContact CG-CD1 4.49Å; L210-L217 WeakPolarHBondContact O-CD1 3.07Å; N213-L217 HydrophobicContact CB-CD1 4.22Å; N213-L217 HydrophobicContact CB-CG 4.41Å; N213-L217 PolarHBondContact O-N 3.33Å; L214-L217 PolarHBondContact O-N 3.45Å; L217-A220 WeakPolarHBondContact O-CB 3.43Å; L217-A220 PolarHBondContact O-N 3.21Å; L217-L221 WeakPolarHBondContact O-CG 3.29Å; L217-L221 PolarHBondContact O-N 3.45Å |
| 218 | Q | 93.1 | Very high | 92.3 | Very high | 31 Ų | 31 | 36.5 Ų | 36.5 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 170.9 | -77 | -172.6 | -2.7 | 0 | 0 | 111.7 | L214 A220 L221 R222 F243 F254 | L214-Q218 HydrophobicContact CD1-CG 4.44Å; L214-Q218 WeakPolarHBondContact O-CB 3.45Å; L214-Q218 WeakPolarHBondContact O-CG 3.48Å; L214-Q218 PolarHBondContact O-N 3.4Å; Q218-A220 PolarHBondContact O-N 2.81Å; Q218-L221 WeakPolarHBondContact O-CB 3.43Å; Q218-L221 PolarHBondContact O-N 3.49Å; Q218-L221 VanDerWaalsContact O-N 3.15Å; Q218-R222 WeakPolarHBondContact O-CG 3.36Å; Q218-R222 PolarHBondContact O-N 3.46Å; Q218-F243 HydrophobicContact CG-CZ 3.88Å; Q218-F254 HydrophobicContact CB-CD2 4.08Å; Q218-F254 HydrophobicContact CB-CE2 3.97Å; Q218-F254 HydrophobicContact CG-CD2 3.89Å; Q218-F254 HydrophobicContact CG-CE2 4.24Å; Q218-F254 WeakPolarHBondContact O-CE2 3.28Å |
| 219 | D | 92 | Very high | 92.5 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.032 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 174.4 | 172.8 | 52.4 | 0 | 0 | 0 | 112 | S215 V216 L221 R222 R223 N1027 | S215-D219 VanDerWaalsContact O-CB 3.29Å; S215-D219 WeakPolarHBondContact O-CB 3.5Å; S215-D219 PolarHBondContact O-N 3.01Å; S215-D219 VanDerWaalsContact O-N 3.14Å; V216-D219 WeakPolarHBondContact O-CB 3.49Å; V216-D219 PolarHBondContact O-N 2.71Å; D219-L221 VanDerWaalsContact C-N 3.33Å; D219-L221 PolarHBondContact O-N 2.82Å; D219-R222 PolarHBondContact O-N 3.25Å; D219-R223 VanDerWaalsContact CG-NE 3.28Å; D219-R223 WeakPolarHBondContact O-CG 3.28Å; D219-R223 PolarHBondContact O-N 2.81Å; D219-R223 IonicContact OD1-CZ 2.58Å; D219-R223 IonicContact OD1-NE 2.82Å; D219-R223 PolarHBondContact OD1-NE 3.28Å; D219-R223 IonicContact OD1-NH2 3.58Å; D219-R223 PolarHBondContact OD1-NH2 2.91Å; D219-R223 IonicContact OD2-CZ 2.73Å; D219-R223 VanDerWaalsContact OD2-CZ 3.26Å; D219-R223 IonicContact OD2-NE 2.78Å; D219-R223 PolarHBondContact OD2-NE 3.28Å; D219-R223 IonicContact OD2-NH2 2.69Å; D219-R223 PolarHBondContact OD2-NH2 3.01Å; D219-N1027 PolarHBondContact OD2-ND2 2.87Å |
| 220 | A | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.9 | -43.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113 | I180 L183 L198 V216 L217 Q218 G224 | I180-A220 HydrophobicContact CB-CB 4.5Å; I180-A220 HydrophobicContact CD1-CB 4.04Å; I180-A220 HydrophobicContact CG1-CB 3.95Å; I180-A220 HydrophobicContact CG2-CB 3.81Å; L183-A220 HydrophobicContact CD1-CB 3.77Å; L198-A220 HydrophobicContact CD1-CB 4.16Å; L198-A220 HydrophobicContact CD2-CB 4.08Å; V216-A220 PolarHBondContact O-N 2.79Å; L217-A220 WeakPolarHBondContact O-CB 3.43Å; L217-A220 PolarHBondContact O-N 3.21Å; Q218-A220 PolarHBondContact O-N 2.81Å; A220-G224 PolarHBondContact O-N 3.07Å |
| 221 | L | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 174.9 | -71.1 | 171.9 | 0 | 0 | 0 | 112.1 | L198 F202 L217 Q218 D219 R223 G224 I225 T236 S239 F240 F243 F254 | L198-L221 HydrophobicContact CD1-CD2 4.43Å; F202-L221 HydrophobicContact CE2-CD1 4.24Å; F202-L221 HydrophobicContact CE2-CD2 3.95Å; F202-L221 HydrophobicContact CE2-CG 4.2Å; F202-L221 HydrophobicContact CZ-CD1 3.99Å; F202-L221 HydrophobicContact CZ-CD2 4.47Å; F202-L221 HydrophobicContact CZ-CG 4.24Å; L217-L221 WeakPolarHBondContact O-CG 3.29Å; L217-L221 PolarHBondContact O-N 3.45Å; Q218-L221 WeakPolarHBondContact O-CB 3.43Å; Q218-L221 PolarHBondContact O-N 3.49Å; Q218-L221 VanDerWaalsContact O-N 3.15Å; D219-L221 VanDerWaalsContact C-N 3.33Å; D219-L221 PolarHBondContact O-N 2.82Å; L221-R223 PolarHBondContact O-N 3.35Å; L221-G224 PolarHBondContact O-N 3.11Å; L221-I225 HydrophobicContact CB-CD1 4.41Å; L221-I225 VanDerWaalsContact O-CB 3.3Å; L221-I225 WeakPolarHBondContact O-CB 3.45Å; L221-I225 WeakPolarHBondContact O-CD1 3.47Å; L221-I225 VanDerWaalsContact O-CG1 3.23Å; L221-I225 WeakPolarHBondContact O-CG1 3.23Å; L221-I225 PolarHBondContact O-N 2.75Å; L221-T236 HydrophobicContact CB-CG2 4.45Å; L221-T236 HydrophobicContact CD2-CG2 3.6Å; L221-S239 WeakPolarHBondContact CD2-OG 3.31Å; L221-F240 HydrophobicContact CD1-CD2 4.16Å; L221-F240 HydrophobicContact CD1-CE2 4.2Å; L221-F240 HydrophobicContact CD2-CD2 4.3Å; L221-F243 HydrophobicContact CD1-CB 4.2Å; L221-F243 HydrophobicContact CD1-CD1 3.61Å; L221-F243 HydrophobicContact CD1-CD2 3.91Å; L221-F243 HydrophobicContact CD1-CE1 3.88Å; L221-F243 HydrophobicContact CD1-CE2 4.18Å; L221-F243 HydrophobicContact CD1-CG 3.63Å; L221-F243 HydrophobicContact CD1-CZ 4.17Å; L221-F254 HydrophobicContact CB-CE1 4.35Å; L221-F254 HydrophobicContact CB-CE2 3.97Å; L221-F254 HydrophobicContact CB-CZ 3.54Å |
| 222 | R | 93.2 | Very high | 92.7 | Very high | 89 Ų | 89 | 39.4 Ų | 39.4 | 34% | 0.336 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.2 | -46.1 | 178.9 | -69.7 | -177.3 | -168.2 | 96.5 | 8.6 | 111.4 | Q218 D219 S226 F254 | Q218-R222 WeakPolarHBondContact O-CG 3.36Å; Q218-R222 PolarHBondContact O-N 3.46Å; D219-R222 PolarHBondContact O-N 3.25Å; R222-S226 WeakPolarHBondContact O-CB 3.15Å; R222-S226 PolarHBondContact O-N 3.21Å; R222-S226 PolarHBondContact O-OG 2.77Å; R222-F254 HydrophobicContact CG-CE2 3.56Å; R222-F254 HydrophobicContact CG-CZ 3.67Å |
| 223 | R | 93.1 | Very high | 92.9 | Very high | 81 Ų | 81 | 40.6 Ų | 40.6 | 31% | 0.306 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.8 | -52.4 | 177 | -66.8 | 176.2 | -160.9 | -146.7 | 0.5 | 111 | L183 D219 L221 I225 S226 D227 N1027 | L183-R223 HydrophobicContact CD1-CB 4.41Å; D219-R223 VanDerWaalsContact CG-NE 3.28Å; D219-R223 WeakPolarHBondContact O-CG 3.28Å; D219-R223 PolarHBondContact O-N 2.81Å; D219-R223 IonicContact OD1-CZ 2.58Å; D219-R223 IonicContact OD1-NE 2.82Å; D219-R223 PolarHBondContact OD1-NE 3.28Å; D219-R223 IonicContact OD1-NH2 3.58Å; D219-R223 PolarHBondContact OD1-NH2 2.91Å; D219-R223 IonicContact OD2-CZ 2.73Å; D219-R223 VanDerWaalsContact OD2-CZ 3.26Å; D219-R223 IonicContact OD2-NE 2.78Å; D219-R223 PolarHBondContact OD2-NE 3.28Å; D219-R223 IonicContact OD2-NH2 2.69Å; D219-R223 PolarHBondContact OD2-NH2 3.01Å; L221-R223 PolarHBondContact O-N 3.35Å; R223-I225 PolarHBondContact O-N 2.95Å; R223-S226 CarbonylContact O-C 3.59Å; R223-S226 PolarHBondContact O-N 3.38Å; R223-D227 PolarHBondContact O-N 2.95Å; R223-N1027 PolarHBondContact NH2-OD1 2.91Å |
| 224 | G | 93.2 | Very high | 93 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -38.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A220 L221 S226 D227 R233 T236 | A220-G224 PolarHBondContact O-N 3.07Å; L221-G224 PolarHBondContact O-N 3.11Å; G224-S226 PolarHBondContact O-N 2.8Å; G224-D227 PolarHBondContact O-N 3.44Å; G224-R233 WeakPolarHBondContact O-CA 3.33Å; G224-R233 VanDerWaalsContact O-CG 3.24Å; G224-R233 WeakPolarHBondContact O-CG 3.44Å; G224-T236 VanDerWaalsContact C-OG1 3.28Å; G224-T236 VanDerWaalsContact CA-OG1 3.23Å; G224-T236 WeakPolarHBondContact CA-OG1 3.5Å |
| 225 | I | 93.5 | Very high | 93 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.056 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66 | -25.2 | 173.8 | -70.6 | 160.8 | 0 | 0 | 0 | 111.8 | L221 R223 R233 T236 F240 F254 L258 K262 I266 | L221-I225 HydrophobicContact CB-CD1 4.41Å; L221-I225 VanDerWaalsContact O-CB 3.3Å; L221-I225 WeakPolarHBondContact O-CB 3.45Å; L221-I225 WeakPolarHBondContact O-CD1 3.47Å; L221-I225 VanDerWaalsContact O-CG1 3.23Å; L221-I225 WeakPolarHBondContact O-CG1 3.23Å; L221-I225 PolarHBondContact O-N 2.75Å; R223-I225 PolarHBondContact O-N 2.95Å; I225-R233 WeakPolarHBondContact O-CG 3.44Å; I225-T236 HydrophobicContact CD1-CG2 4.46Å; I225-T236 HydrophobicContact CG1-CG2 3.83Å; I225-F240 HydrophobicContact CD1-CD2 4.37Å; I225-F254 HydrophobicContact CD1-CE1 3.72Å; I225-F254 HydrophobicContact CD1-CZ 4.09Å; I225-L258 HydrophobicContact CD1-CD1 4.4Å; I225-K262 HydrophobicContact CG2-CB 4.21Å; I225-K262 HydrophobicContact CG2-CD 4.06Å; I225-K262 HydrophobicContact CG2-CG 4.31Å; I225-I266 HydrophobicContact CD1-CD1 3.62Å; I225-I266 HydrophobicContact CG1-CD1 4.12Å; I225-I266 HydrophobicContact CG2-CD1 4.08Å |
| 226 | S | 91.7 | Very high | 93.2 | Very high | 62 Ų | 62 | 39.5 Ų | 39.5 | 43% | 0.434 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 7.1 | -176.8 | -51.2 | 0 | 0 | 0 | 0 | 114.2 | R222 R223 G224 K262 | R222-S226 WeakPolarHBondContact O-CB 3.15Å; R222-S226 PolarHBondContact O-N 3.21Å; R222-S226 PolarHBondContact O-OG 2.77Å; R223-S226 CarbonylContact O-C 3.59Å; R223-S226 PolarHBondContact O-N 3.38Å; G224-S226 PolarHBondContact O-N 2.8Å; S226-K262 PolarHBondContact OG-NZ 2.98Å; S226-K262 VanDerWaalsContact OG-NZ 3.07Å |
| 227 | D | 94.5 | Very high | 93.2 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | trans | -62.5 | 151.9 | 178.6 | -156.8 | -54 | 0 | 0 | 0 | 111.3 | R191 R223 G224 D229 A232 R233 | R191-D227 WeakPolarHBondContact CD-OD2 3.35Å; R191-D227 IonicContact CZ-OD1 3.29Å; R191-D227 IonicContact CZ-OD2 2.97Å; R191-D227 IonicContact NE-OD1 2.81Å; R191-D227 PolarHBondContact NE-OD1 3.21Å; R191-D227 IonicContact NE-OD2 3.77Å; R191-D227 PolarHBondContact NE-OD2 2.8Å; R191-D227 IonicContact NH2-OD1 3.74Å; R191-D227 PolarHBondContact NH2-OD1 3.36Å; R191-D227 IonicContact NH2-OD2 3.77Å; R223-D227 PolarHBondContact O-N 2.95Å; G224-D227 PolarHBondContact O-N 3.44Å; D227-D229 VanDerWaalsContact C-N 3.28Å; D227-D229 PolarHBondContact OD1-N 3.23Å; D227-A232 HydrophobicContact CB-CB 4.06Å; D227-R233 HydrophobicContact CB-CG 4.3Å; D227-R233 WeakPolarHBondContact O-CD 3.44Å; D227-R233 PolarHBondContact O-NE 3.47Å | ||
| 228 | A | 93.7 | Very high | 93.1 | Very high | 88 Ų | 88 | 43.1 Ų | 43.1 | 73% | 0.727 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -66.3 | -34.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R233 | A228-R233 PolarHBondContact O-NH2 3.35Š|
| 229 | D | 93.1 | Very high | 93.1 | Very high | 24 Ų | 24 | 41.7 Ų | 41.7 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | trans | -68.8 | 139.6 | -178.6 | -169.6 | 100.5 | 0 | 0 | 0 | 111.9 | N188 D227 E231 A232 R233 | N188-D229 HydrophobicContact CB-CB 4.37Å; N188-D229 PolarHBondContact ND2-OD1 3.29Å; D227-D229 VanDerWaalsContact C-N 3.28Å; D227-D229 PolarHBondContact OD1-N 3.23Å; D229-E231 WeakPolarHBondContact OD2-CA 3.48Å; D229-E231 WeakPolarHBondContact OD2-CB 3.46Å; D229-E231 PolarHBondContact OD2-N 3.2Å; D229-A232 HydrophobicContact CB-CB 3.88Å; D229-A232 PolarHBondContact OD2-N 2.93Å; D229-R233 WeakPolarHBondContact O-CG 3.49Å; D229-R233 PolarHBondContact O-N 2.91Å; D229-R233 PolarHBondContact O-NE 2.9Å | ||
| 230 | Q | 93.3 | Very high | 93.1 | Very high | 157 Ų | 157 | 41.4 Ų | 41.4 | 73% | 0.734 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -81.4 | -34 | -177.7 | -172.3 | 178.3 | 6.8 | 0 | 0 | 112.5 | L234 | Q230-L234 WeakPolarHBondContact O-CB 3.47Å; Q230-L234 PolarHBondContact O-N 3.31Å |
| 231 | E | 91.6 | Very high | 93 | Very high | 72 Ų | 72 | 42.4 Ų | 42.4 | 34% | 0.336 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -73.4 | -43.2 | 177.8 | -66.2 | -168.9 | 91.9 | 0 | 0 | 110.3 | K192 D229 R233 L234 F235 | K192-E231 HydrophobicContact CD-CB 3.86Å; K192-E231 HydrophobicContact CD-CG 4.5Å; K192-E231 WeakPolarHBondContact CD-OE2 3.42Å; K192-E231 VanDerWaalsContact CE-CD 3.42Å; K192-E231 VanDerWaalsContact CE-OE1 3.31Å; K192-E231 WeakPolarHBondContact CE-OE1 3.44Å; K192-E231 VanDerWaalsContact CE-OE2 3.28Å; K192-E231 WeakPolarHBondContact CE-OE2 3.26Å; K192-E231 HydrophobicContact CG-CB 3.97Å; K192-E231 IonicContact NZ-OE1 2.68Å; K192-E231 PolarHBondContact NZ-OE1 3.28Å; K192-E231 IonicContact NZ-OE2 3.59Å; K192-E231 PolarHBondContact NZ-OE2 3.24Å; D229-E231 WeakPolarHBondContact OD2-CA 3.48Å; D229-E231 WeakPolarHBondContact OD2-CB 3.46Å; D229-E231 PolarHBondContact OD2-N 3.2Å; E231-R233 PolarHBondContact O-N 3.45Å; E231-L234 WeakPolarHBondContact O-CA 3.37Å; E231-L234 WeakPolarHBondContact O-CB 3.27Å; E231-L234 PolarHBondContact O-N 3.07Å; E231-F235 HydrophobicContact CB-CD2 4.47Å; E231-F235 HydrophobicContact CB-CE2 4.16Å; E231-F235 WeakPolarHBondContact O-CD2 3.14Å; E231-F235 PolarHBondContact O-N 3.26Å |
| 232 | A | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -52.7 | -52.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | C195 D227 D229 L234 F235 T236 | C195-A232 HydrophobicContact CB-CB 4.36Å; D227-A232 HydrophobicContact CB-CB 4.06Å; D229-A232 HydrophobicContact CB-CB 3.88Å; D229-A232 PolarHBondContact OD2-N 2.93Å; A232-L234 VanDerWaalsContact C-N 3.27Å; A232-L234 PolarHBondContact O-N 3.38Å; A232-F235 PolarHBondContact O-N 3.38Å; A232-T236 PolarHBondContact O-N 3.47Å; A232-T236 PolarHBondContact O-OG1 3.21Å |
| 233 | R | 94.1 | Very high | 92.8 | Very high | 96 Ų | 96 | 40.6 Ų | 40.6 | 36% | 0.362 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.1 | -34.2 | 174.2 | -77.6 | -177.1 | -74.5 | 177.6 | -11.2 | 113.8 | G224 I225 D227 A228 D229 E231 R237 | G224-R233 WeakPolarHBondContact O-CA 3.33Å; G224-R233 VanDerWaalsContact O-CG 3.24Å; G224-R233 WeakPolarHBondContact O-CG 3.44Å; I225-R233 WeakPolarHBondContact O-CG 3.44Å; D227-R233 HydrophobicContact CB-CG 4.3Å; D227-R233 WeakPolarHBondContact O-CD 3.44Å; D227-R233 PolarHBondContact O-NE 3.47Å; A228-R233 PolarHBondContact O-NH2 3.35Å; D229-R233 WeakPolarHBondContact O-CG 3.49Å; D229-R233 PolarHBondContact O-N 2.91Å; D229-R233 PolarHBondContact O-NE 2.9Å; E231-R233 PolarHBondContact O-N 3.45Å; R233-R237 WeakPolarHBondContact O-CG 3.46Å; R233-R237 PolarHBondContact O-N 3.36Å; R233-R237 PolarHBondContact O-NH1 3.02Å |
| 234 | L | 92.2 | Very high | 92.8 | Very high | 63 Ų | 63 | 37.4 Ų | 37.4 | 33% | 0.33 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -71.9 | -43.6 | 179.1 | -179.4 | 145 | 0 | 0 | 0 | 111.9 | Q230 E231 A232 R238 | Q230-L234 WeakPolarHBondContact O-CB 3.47Å; Q230-L234 PolarHBondContact O-N 3.31Å; E231-L234 WeakPolarHBondContact O-CA 3.37Å; E231-L234 WeakPolarHBondContact O-CB 3.27Å; E231-L234 PolarHBondContact O-N 3.07Å; A232-L234 VanDerWaalsContact C-N 3.27Å; A232-L234 PolarHBondContact O-N 3.38Å; L234-R238 WeakPolarHBondContact O-CG 3.25Å; L234-R238 PolarHBondContact O-N 3.09Å |
| 235 | F | 93.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 174.9 | -69.9 | -65.9 | 0 | 0 | 0 | 111.9 | T19 K192 C195 E196 E231 A232 R237 R238 S239 | T19-F235 HydrophobicContact CG2-CZ 4.35Å; T19-F235 WeakPolarHBondContact OG1-CZ 3.48Å; K192-F235 HydrophobicContact CD-CE2 4.37Å; K192-F235 HydrophobicContact CG-CD2 4.08Å; K192-F235 HydrophobicContact CG-CE2 3.77Å; C195-F235 HydrophobicContact CB-CB 4.06Å; E196-F235 HydrophobicContact CB-CB 4.32Å; E196-F235 HydrophobicContact CB-CD1 3.82Å; E196-F235 HydrophobicContact CB-CD2 4.02Å; E196-F235 HydrophobicContact CB-CE1 4.06Å; E196-F235 HydrophobicContact CB-CE2 4.27Å; E196-F235 HydrophobicContact CB-CG 3.8Å; E196-F235 HydrophobicContact CB-CZ 4.29Å; E196-F235 HydrophobicContact CG-CD1 3.82Å; E196-F235 HydrophobicContact CG-CE1 3.71Å; E196-F235 HydrophobicContact CG-CG 4.32Å; E196-F235 HydrophobicContact CG-CZ 4.14Å; E231-F235 HydrophobicContact CB-CD2 4.47Å; E231-F235 HydrophobicContact CB-CE2 4.16Å; E231-F235 WeakPolarHBondContact O-CD2 3.14Å; E231-F235 PolarHBondContact O-N 3.26Å; A232-F235 PolarHBondContact O-N 3.38Å; F235-R237 VanDerWaalsContact C-N 3.33Å; F235-R237 PolarHBondContact O-N 2.9Å; F235-R238 WeakPolarHBondContact O-CB 3.33Å; F235-R238 PolarHBondContact O-N 3.2Å; F235-R238 VanDerWaalsContact O-N 3.11Å; F235-S239 PolarHBondContact O-N 3.13Å |
| 236 | T | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.8 | -42.1 | 179.2 | -42.3 | 0 | 0 | 0 | 0 | 111.7 | C195 L198 L221 G224 I225 A232 S239 F240 | C195-T236 PolarHBondContact SG-OG1 3.11Å; C195-T236 VanDerWaalsContact SG-OG1 3.39Å; L198-T236 HydrophobicContact CD1-CG2 4.31Å; L221-T236 HydrophobicContact CB-CG2 4.45Å; L221-T236 HydrophobicContact CD2-CG2 3.6Å; G224-T236 VanDerWaalsContact C-OG1 3.28Å; G224-T236 VanDerWaalsContact CA-OG1 3.23Å; G224-T236 WeakPolarHBondContact CA-OG1 3.5Å; I225-T236 HydrophobicContact CD1-CG2 4.46Å; I225-T236 HydrophobicContact CG1-CG2 3.83Å; A232-T236 PolarHBondContact O-N 3.47Å; A232-T236 PolarHBondContact O-OG1 3.21Å; T236-S239 PolarHBondContact O-N 2.82Å; T236-S239 PolarHBondContact O-OG 3.43Å; T236-F240 PolarHBondContact O-N 2.61Å |
| 237 | R | 93 | Very high | 92.3 | Very high | 42 Ų | 42 | 39 Ų | 39 | 16% | 0.158 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.9 | -37.3 | 174.5 | -66.3 | -166.4 | -35.5 | -76.4 | -1.9 | 113.1 | R233 F235 S239 F240 P241 I266 D269 | R233-R237 WeakPolarHBondContact O-CG 3.46Å; R233-R237 PolarHBondContact O-N 3.36Å; R233-R237 PolarHBondContact O-NH1 3.02Å; F235-R237 VanDerWaalsContact C-N 3.33Å; F235-R237 PolarHBondContact O-N 2.9Å; R237-S239 VanDerWaalsContact C-N 3.29Å; R237-S239 PolarHBondContact O-N 3.09Å; R237-F240 VanDerWaalsContact O-CB 3.25Å; R237-F240 WeakPolarHBondContact O-CB 3.44Å; R237-F240 PolarHBondContact O-N 3.26Å; R237-F240 VanDerWaalsContact O-N 3.09Å; R237-P241 WeakPolarHBondContact O-CD 3.4Å; R237-I266 HydrophobicContact CG-CG1 3.9Å; R237-D269 IonicContact CZ-OD2 2.88Å; R237-D269 IonicContact NE-OD2 3.52Å; R237-D269 PolarHBondContact NE-OD2 3.32Å; R237-D269 IonicContact NH2-OD2 3.51Å; R237-D269 PolarHBondContact NH2-OD2 3.38Å |
| 238 | R | 90.6 | Very high | 92.1 | Very high | 64 Ų | 64 | 41.6 Ų | 41.6 | 24% | 0.242 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.8 | -29.4 | 173.5 | -81.5 | 175.6 | 50.8 | -160.9 | -6.2 | 113.9 | S17 E199 L234 F235 F240 P241 | S17-R238 PolarHBondContact OG-NH1 3.37Å; E199-R238 IonicContact OE1-CZ 2.77Å; E199-R238 IonicContact OE1-NE 2.7Å; E199-R238 PolarHBondContact OE1-NE 2.92Å; E199-R238 IonicContact OE1-NH2 3.91Å; E199-R238 PolarHBondContact OE1-NH2 3.18Å; E199-R238 IonicContact OE2-CZ 2.73Å; E199-R238 IonicContact OE2-NE 3.27Å; E199-R238 PolarHBondContact OE2-NE 3.37Å; E199-R238 IonicContact OE2-NH2 2.6Å; E199-R238 PolarHBondContact OE2-NH2 3.29Å; L234-R238 WeakPolarHBondContact O-CG 3.25Å; L234-R238 PolarHBondContact O-N 3.09Å; F235-R238 WeakPolarHBondContact O-CB 3.33Å; F235-R238 PolarHBondContact O-N 3.2Å; F235-R238 VanDerWaalsContact O-N 3.11Å; R238-F240 VanDerWaalsContact C-N 3.27Å; R238-P241 WeakPolarHBondContact O-CD 3.32Å |
| 239 | S | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.4 | -21.5 | 172 | 83 | 0 | 0 | 0 | 0 | 112.8 | L221 F235 T236 R237 L242 F243 | L221-S239 WeakPolarHBondContact CD2-OG 3.31Å; F235-S239 PolarHBondContact O-N 3.13Å; T236-S239 PolarHBondContact O-N 2.82Å; T236-S239 PolarHBondContact O-OG 3.43Å; R237-S239 VanDerWaalsContact C-N 3.29Å; R237-S239 PolarHBondContact O-N 3.09Å; S239-L242 WeakPolarHBondContact O-CB 3.25Å; S239-L242 PolarHBondContact O-N 2.67Å; S239-L242 VanDerWaalsContact O-N 3.13Å; S239-F243 PolarHBondContact O-N 3.22Å |
| 240 | F | 92.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.3 | -37.8 | -173 | -156 | -90.6 | 0 | 0 | 0 | 115.2 | L221 I225 T236 R237 R238 L242 F243 V244 A251 F254 L255 I266 L270 | L221-F240 HydrophobicContact CD1-CD2 4.16Å; L221-F240 HydrophobicContact CD1-CE2 4.2Å; L221-F240 HydrophobicContact CD2-CD2 4.3Å; I225-F240 HydrophobicContact CD1-CD2 4.37Å; T236-F240 PolarHBondContact O-N 2.61Å; R237-F240 VanDerWaalsContact O-CB 3.25Å; R237-F240 WeakPolarHBondContact O-CB 3.44Å; R237-F240 PolarHBondContact O-N 3.26Å; R237-F240 VanDerWaalsContact O-N 3.09Å; R238-F240 VanDerWaalsContact C-N 3.27Å; F240-L242 PolarHBondContact O-N 3.04Å; F240-F243 HydrophobicContact CD2-CD1 4.12Å; F240-F243 AromaticContact CE2-CD1 3.68Å; F240-F243 HydrophobicContact CE2-CD1 3.68Å; F240-F243 HydrophobicContact CE2-CE1 4.17Å; F240-F243 AromaticContact CZ-CD1 3.95Å; F240-F243 HydrophobicContact CZ-CD1 3.95Å; F240-F243 HydrophobicContact CZ-CE1 4.36Å; F240-F243 WeakPolarHBondContact O-CB 3.3Å; F240-F243 PolarHBondContact O-N 3.43Å; F240-F243 VanDerWaalsContact O-N 3.1Å; F240-V244 HydrophobicContact CD1-CG2 3.72Å; F240-V244 HydrophobicContact CE1-CG2 3.51Å; F240-V244 HydrophobicContact CZ-CG2 4.46Å; F240-V244 PolarHBondContact O-N 3.26Å; F240-A251 HydrophobicContact CE1-CB 4.43Å; F240-A251 HydrophobicContact CZ-CB 4.25Å; F240-F254 HydrophobicContact CD2-CE1 4.5Å; F240-F254 AromaticContact CE2-CD1 3.46Å; F240-F254 HydrophobicContact CE2-CD1 3.46Å; F240-F254 VanDerWaalsContact CE2-CD1 3.46Å; F240-F254 AromaticContact CE2-CE1 3.59Å; F240-F254 HydrophobicContact CE2-CE1 3.59Å; F240-F254 HydrophobicContact CE2-CG 4.27Å; F240-F254 HydrophobicContact CE2-CZ 4.48Å; F240-F254 AromaticContact CZ-CD1 3.7Å; F240-F254 HydrophobicContact CZ-CD1 3.7Å; F240-F254 HydrophobicContact CZ-CE1 4.26Å; F240-F254 HydrophobicContact CZ-CG 4.44Å; F240-L255 HydrophobicContact CE1-CD1 4.2Å; F240-L255 HydrophobicContact CE1-CD2 3.89Å; F240-L255 HydrophobicContact CE1-CG 3.99Å; F240-L255 HydrophobicContact CZ-CD2 4Å; F240-L255 HydrophobicContact CZ-CG 4Å; F240-I266 HydrophobicContact CB-CG2 4.26Å; F240-I266 HydrophobicContact CD1-CG2 3.29Å; F240-I266 HydrophobicContact CD2-CG2 4.48Å; F240-I266 HydrophobicContact CE1-CG2 3.68Å; F240-I266 HydrophobicContact CG-CG2 3.75Å; F240-I266 HydrophobicContact CZ-CG2 4.42Å; F240-L270 HydrophobicContact CD1-CD1 3.97Å; F240-L270 HydrophobicContact CD1-CD2 4.25Å; F240-L270 HydrophobicContact CD1-CG 4.31Å; F240-L270 HydrophobicContact CE1-CD1 4.04Å |
| 241 | P | 91.3 | Very high | 91.6 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -53.1 | -36.2 | 167.2 | -30.3 | 34.5 | 0 | 0 | 0 | 114.6 | R237 R238 A245 L270 A273 L275 | R237-P241 WeakPolarHBondContact O-CD 3.4Å; R238-P241 WeakPolarHBondContact O-CD 3.32Å; P241-A245 WeakPolarHBondContact O-CB 3.28Å; P241-A245 PolarHBondContact O-N 2.83Å; P241-L270 HydrophobicContact CB-CD2 4.22Å; P241-L270 HydrophobicContact CG-CD2 4.02Å; P241-A273 HydrophobicContact CB-CB 3.95Å; P241-A273 HydrophobicContact CG-CB 3.8Å; P241-L275 HydrophobicContact CB-CD1 3.82Å; P241-L275 WeakPolarHBondContact O-CD1 3.27Å |
| 242 | L | 91.9 | Very high | 91.4 | Very high | 52 Ų | 52 | 35.9 Ų | 35.9 | 27% | 0.272 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -74.3 | -34.1 | 177 | -57.6 | 171.7 | 0 | 0 | 0 | 111.4 | E199 F202 R203 S239 F240 K246 | E199-L242 HydrophobicContact CG-CD1 3.95Å; E199-L242 WeakPolarHBondContact O-CD1 3.16Å; F202-L242 HydrophobicContact CB-CB 3.59Å; F202-L242 HydrophobicContact CB-CD1 4.24Å; R203-L242 HydrophobicContact CB-CD1 4.05Å; S239-L242 WeakPolarHBondContact O-CB 3.25Å; S239-L242 PolarHBondContact O-N 2.67Å; S239-L242 VanDerWaalsContact O-N 3.13Å; F240-L242 PolarHBondContact O-N 3.04Å; L242-K246 PolarHBondContact O-N 3.03Å |
| 243 | F | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.5 | -48.3 | 172.1 | -178.4 | -115.8 | 0 | 0 | 0 | 111.7 | F202 L214 Q218 L221 S239 F240 A245 K246 F247 A251 F254 | F202-F243 HydrophobicContact CD1-CD2 4.3Å; F202-F243 HydrophobicContact CE1-CB 4.44Å; F202-F243 AromaticContact CE1-CD2 3.62Å; F202-F243 HydrophobicContact CE1-CD2 3.62Å; F202-F243 HydrophobicContact CE1-CE2 4.38Å; F202-F243 HydrophobicContact CE1-CG 4.45Å; F202-F243 HydrophobicContact CE2-CB 4.48Å; F202-F243 HydrophobicContact CZ-CB 4.4Å; F202-F243 AromaticContact CZ-CD2 3.85Å; F202-F243 HydrophobicContact CZ-CD2 3.85Å; F202-F243 HydrophobicContact CZ-CG 4.42Å; L214-F243 HydrophobicContact CD1-CE2 3.62Å; L214-F243 HydrophobicContact CD1-CZ 4.07Å; Q218-F243 HydrophobicContact CG-CZ 3.88Å; L221-F243 HydrophobicContact CD1-CB 4.2Å; L221-F243 HydrophobicContact CD1-CD1 3.61Å; L221-F243 HydrophobicContact CD1-CD2 3.91Å; L221-F243 HydrophobicContact CD1-CE1 3.88Å; L221-F243 HydrophobicContact CD1-CE2 4.18Å; L221-F243 HydrophobicContact CD1-CG 3.63Å; L221-F243 HydrophobicContact CD1-CZ 4.17Å; S239-F243 PolarHBondContact O-N 3.22Å; F240-F243 HydrophobicContact CD2-CD1 4.12Å; F240-F243 AromaticContact CE2-CD1 3.68Å; F240-F243 HydrophobicContact CE2-CD1 3.68Å; F240-F243 HydrophobicContact CE2-CE1 4.17Å; F240-F243 AromaticContact CZ-CD1 3.95Å; F240-F243 HydrophobicContact CZ-CD1 3.95Å; F240-F243 HydrophobicContact CZ-CE1 4.36Å; F240-F243 WeakPolarHBondContact O-CB 3.3Å; F240-F243 PolarHBondContact O-N 3.43Å; F240-F243 VanDerWaalsContact O-N 3.1Å; F243-A245 VanDerWaalsContact C-N 3.34Å; F243-A245 PolarHBondContact O-N 3.35Å; F243-K246 PolarHBondContact O-N 3.12Å; F243-K246 VanDerWaalsContact O-N 3.16Å; F243-F247 HydrophobicContact CD2-CB 4.48Å; F243-F247 AromaticContact CD2-CD2 3.8Å; F243-F247 HydrophobicContact CD2-CD2 3.8Å; F243-F247 HydrophobicContact CE2-CB 4.12Å; F243-F247 AromaticContact CE2-CD2 3.71Å; F243-F247 HydrophobicContact CE2-CD2 3.71Å; F243-F247 HydrophobicContact CE2-CG 4.26Å; F243-F247 HydrophobicContact CZ-CB 4.39Å; F243-F247 PolarHBondContact O-N 3.27Å; F243-A251 HydrophobicContact CD1-CB 3.82Å; F243-A251 HydrophobicContact CE1-CB 3.74Å; F243-F254 HydrophobicContact CE1-CB 4.42Å |
| 244 | V | 91.7 | Very high | 91 | Very high | 13 Ų | 13 | 36.1 Ų | 36.1 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | F240 K246 F247 A251 L270 L275 | F240-V244 HydrophobicContact CD1-CG2 3.72Å; F240-V244 HydrophobicContact CE1-CG2 3.51Å; F240-V244 HydrophobicContact CZ-CG2 4.46Å; F240-V244 PolarHBondContact O-N 3.26Å; V244-K246 PolarHBondContact O-N 2.72Å; V244-F247 PolarHBondContact O-N 3.09Å; V244-A251 HydrophobicContact CB-CB 4.4Å; V244-A251 HydrophobicContact CG2-CB 3.67Å; V244-L270 HydrophobicContact CB-CD2 4.12Å; V244-L270 HydrophobicContact CG1-CD2 4.47Å; V244-L270 HydrophobicContact CG2-CD1 4.03Å; V244-L270 HydrophobicContact CG2-CD2 3.73Å; V244-L275 HydrophobicContact CB-CD1 4.46Å; V244-L275 HydrophobicContact CG1-CB 4.46Å; V244-L275 HydrophobicContact CG1-CD1 4.34Å |
| 245 | A | 88.8 | Confident | 90.8 | Very high | 43 Ų | 43 | 33.4 Ų | 33.4 | 36% | 0.355 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67.2 | -16.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I9 P241 F243 | I9-A245 HydrophobicContact CG2-CB 4.48Å; P241-A245 WeakPolarHBondContact O-CB 3.28Å; P241-A245 PolarHBondContact O-N 2.83Å; F243-A245 VanDerWaalsContact C-N 3.34Å; F243-A245 PolarHBondContact O-N 3.35Å |
| 246 | K | 89.1 | Confident | 90.5 | Very high | 53 Ų | 53 | 39 Ų | 39 | 23% | 0.23 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -104.4 | -29.7 | 175.3 | -71.5 | -175.9 | -179.8 | -90.3 | 0 | 113.5 | F202 W205 L207 L210 L242 F243 V244 | F202-K246 WeakPolarHBondContact O-CE 3.35Å; W205-K246 PolarHBondContact O-NZ 3.39Å; L207-K246 HydrophobicContact CD2-CB 3.64Å; L207-K246 HydrophobicContact CD2-CD 3.94Å; L207-K246 HydrophobicContact CD2-CG 3.68Å; L210-K246 HydrophobicContact CD1-CD 3.45Å; L210-K246 VanDerWaalsContact CD1-CD 3.45Å; L242-K246 PolarHBondContact O-N 3.03Å; F243-K246 PolarHBondContact O-N 3.12Å; F243-K246 VanDerWaalsContact O-N 3.16Å; V244-K246 PolarHBondContact O-N 2.72Å |
| 247 | F | 91.6 | Very high | 90.3 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 5% | 0.053 | 23% | 0.232 | C | C | . | . | trans | -140.5 | 64.7 | -170 | -60 | -62.6 | 0 | 0 | 0 | 111.9 | L207 L210 E211 L214 F243 V244 E249 Q250 A251 | L207-F247 HydrophobicContact CD2-CE1 4.46Å; L207-F247 HydrophobicContact CD2-CZ 4.25Å; L210-F247 HydrophobicContact CB-CE2 3.81Å; L210-F247 HydrophobicContact CB-CZ 3.74Å; E211-F247 HydrophobicContact CG-CE1 3.65Å; E211-F247 HydrophobicContact CG-CZ 4.02Å; L214-F247 HydrophobicContact CD1-CD1 4.45Å; L214-F247 HydrophobicContact CD1-CD2 3.99Å; L214-F247 HydrophobicContact CD1-CE2 4.23Å; L214-F247 HydrophobicContact CD1-CG 4.11Å; F243-F247 HydrophobicContact CD2-CB 4.48Å; F243-F247 AromaticContact CD2-CD2 3.8Å; F243-F247 HydrophobicContact CD2-CD2 3.8Å; F243-F247 HydrophobicContact CE2-CB 4.12Å; F243-F247 AromaticContact CE2-CD2 3.71Å; F243-F247 HydrophobicContact CE2-CD2 3.71Å; F243-F247 HydrophobicContact CE2-CG 4.26Å; F243-F247 HydrophobicContact CZ-CB 4.39Å; F243-F247 PolarHBondContact O-N 3.27Å; V244-F247 PolarHBondContact O-N 3.09Å; F247-E249 PolarHBondContact O-N 3.43Å; F247-Q250 HydrophobicContact CB-CB 4.36Å; F247-Q250 PolarHBondContact O-N 3.44Å; F247-A251 WeakPolarHBondContact O-CB 3.42Å; F247-A251 PolarHBondContact O-N 3.03Å | ||
| 248 | P | 89.5 | Confident | 90 | Very high | 72 Ų | 72 | 44.1 Ų | 44.1 | 47% | 0.468 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62 | -46.2 | -170.7 | 23.2 | -33.4 | 0 | 0 | 0 | 113 | A251 N252 | P248-A251 PolarHBondContact O-N 3.07Å; P248-N252 PolarHBondContact O-N 3.13Å; P248-N252 PolarHBondContact O-ND2 3.28Å; P248-N252 PolarHBondContact O-OD1 3.37Å |
| 249 | E | 87.8 | Confident | 89.9 | Confident | 134 Ų | 134 | 45.6 Ų | 45.6 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.8 | -46.2 | 179.2 | -60.3 | 177 | 154.8 | 0 | 0 | 111.7 | F247 A251 N252 L253 | F247-E249 PolarHBondContact O-N 3.43Å; E249-A251 VanDerWaalsContact C-N 3.29Å; E249-A251 PolarHBondContact O-N 3.19Å; E249-N252 WeakPolarHBondContact O-CB 2.8Å; E249-N252 PolarHBondContact O-N 3.21Å; E249-N252 VanDerWaalsContact O-N 3.16Å; E249-L253 WeakPolarHBondContact O-CG 3.44Å; E249-L253 PolarHBondContact O-N 2.97Å |
| 250 | Q | 90.5 | Very high | 89.5 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -75.6 | -22.5 | -176.5 | -53.3 | 78.5 | 14 | 0 | 0 | 111.2 | L214 F247 F254 | L214-Q250 HydrophobicContact CD2-CB 4.23Å; L214-Q250 HydrophobicContact CD2-CG 4.01Å; F247-Q250 HydrophobicContact CB-CB 4.36Å; F247-Q250 PolarHBondContact O-N 3.44Å; Q250-F254 VanDerWaalsContact O-CB 3.25Å; Q250-F254 WeakPolarHBondContact O-CB 3.49Å; Q250-F254 PolarHBondContact O-N 2.94Å |
| 251 | A | 90.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75 | -34.8 | 167 | 0 | 0 | 0 | 0 | 0 | 112.7 | F240 F243 V244 F247 P248 E249 F254 L255 | F240-A251 HydrophobicContact CE1-CB 4.43Å; F240-A251 HydrophobicContact CZ-CB 4.25Å; F243-A251 HydrophobicContact CD1-CB 3.82Å; F243-A251 HydrophobicContact CE1-CB 3.74Å; V244-A251 HydrophobicContact CB-CB 4.4Å; V244-A251 HydrophobicContact CG2-CB 3.67Å; F247-A251 WeakPolarHBondContact O-CB 3.42Å; F247-A251 PolarHBondContact O-N 3.03Å; P248-A251 PolarHBondContact O-N 3.07Å; E249-A251 VanDerWaalsContact C-N 3.29Å; E249-A251 PolarHBondContact O-N 3.19Å; A251-F254 WeakPolarHBondContact O-CB 3.48Å; A251-F254 PolarHBondContact O-N 2.81Å; A251-L255 WeakPolarHBondContact O-CB 3.49Å; A251-L255 WeakPolarHBondContact O-CG 3.36Å; A251-L255 PolarHBondContact O-N 3.03Å |
| 252 | N | 88.5 | Confident | 89.2 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 17% | 0.166 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.2 | -48.9 | 171.9 | -69 | -16 | 0 | 0 | 0 | 111 | P248 E249 F254 L255 Q256 I279 | P248-N252 PolarHBondContact O-N 3.13Å; P248-N252 PolarHBondContact O-ND2 3.28Å; P248-N252 PolarHBondContact O-OD1 3.37Å; E249-N252 WeakPolarHBondContact O-CB 2.8Å; E249-N252 PolarHBondContact O-N 3.21Å; E249-N252 VanDerWaalsContact O-N 3.16Å; N252-F254 VanDerWaalsContact C-N 3.26Å; N252-F254 PolarHBondContact O-N 2.86Å; N252-L255 PolarHBondContact O-N 3Å; N252-Q256 WeakPolarHBondContact O-CB 3.4Å; N252-Q256 VanDerWaalsContact O-CG 3.28Å; N252-Q256 WeakPolarHBondContact O-CG 3.1Å; N252-Q256 PolarHBondContact O-N 3.34Å; N252-I279 WeakPolarHBondContact OD1-CD1 3.4Å; N252-I279 VanDerWaalsContact OD1-CG1 3.3Å; N252-I279 WeakPolarHBondContact OD1-CG1 3.5Å; N252-I279 WeakPolarHBondContact OD1-CG2 3.4Å |
| 253 | L | 88.8 | Confident | 89.1 | Confident | 97 Ų | 97 | 60 Ų | 60 | 51% | 0.508 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.8 | -36.5 | 173 | -67.3 | 172.2 | 0 | 0 | 0 | 111.8 | E249 N257 | E249-L253 WeakPolarHBondContact O-CG 3.44Å; E249-L253 PolarHBondContact O-N 2.97Å; L253-N257 PolarHBondContact O-N 3.03Å; L253-N257 PolarHBondContact O-ND2 3.24Å |
| 254 | F | 90.7 | Very high | 88.8 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.6 | -49.6 | 175 | -171.2 | -85.3 | 0 | 0 | 0 | 112.2 | Q218 L221 R222 I225 F240 F243 Q250 A251 N252 Q256 N257 L258 | Q218-F254 HydrophobicContact CB-CD2 4.08Å; Q218-F254 HydrophobicContact CB-CE2 3.97Å; Q218-F254 HydrophobicContact CG-CD2 3.89Å; Q218-F254 HydrophobicContact CG-CE2 4.24Å; Q218-F254 WeakPolarHBondContact O-CE2 3.28Å; L221-F254 HydrophobicContact CB-CE1 4.35Å; L221-F254 HydrophobicContact CB-CE2 3.97Å; L221-F254 HydrophobicContact CB-CZ 3.54Å; R222-F254 HydrophobicContact CG-CE2 3.56Å; R222-F254 HydrophobicContact CG-CZ 3.67Å; I225-F254 HydrophobicContact CD1-CE1 3.72Å; I225-F254 HydrophobicContact CD1-CZ 4.09Å; F240-F254 HydrophobicContact CD2-CE1 4.5Å; F240-F254 AromaticContact CE2-CD1 3.46Å; F240-F254 HydrophobicContact CE2-CD1 3.46Å; F240-F254 VanDerWaalsContact CE2-CD1 3.46Å; F240-F254 AromaticContact CE2-CE1 3.59Å; F240-F254 HydrophobicContact CE2-CE1 3.59Å; F240-F254 HydrophobicContact CE2-CG 4.27Å; F240-F254 HydrophobicContact CE2-CZ 4.48Å; F240-F254 AromaticContact CZ-CD1 3.7Å; F240-F254 HydrophobicContact CZ-CD1 3.7Å; F240-F254 HydrophobicContact CZ-CE1 4.26Å; F240-F254 HydrophobicContact CZ-CG 4.44Å; F243-F254 HydrophobicContact CE1-CB 4.42Å; Q250-F254 VanDerWaalsContact O-CB 3.25Å; Q250-F254 WeakPolarHBondContact O-CB 3.49Å; Q250-F254 PolarHBondContact O-N 2.94Å; A251-F254 WeakPolarHBondContact O-CB 3.48Å; A251-F254 PolarHBondContact O-N 2.81Å; N252-F254 VanDerWaalsContact C-N 3.26Å; N252-F254 PolarHBondContact O-N 2.86Å; F254-Q256 VanDerWaalsContact C-N 3.34Å; F254-Q256 PolarHBondContact O-N 3.15Å; F254-N257 PolarHBondContact O-N 3.13Å; F254-N257 VanDerWaalsContact O-N 3.15Å; F254-L258 HydrophobicContact CD1-CD1 4.11Å; F254-L258 HydrophobicContact CD1-CG 4.25Å; F254-L258 HydrophobicContact CE1-CD1 3.87Å; F254-L258 HydrophobicContact CE1-CD2 4.13Å; F254-L258 HydrophobicContact CE1-CG 4.11Å; F254-L258 PolarHBondContact O-N 2.85Å |
| 255 | L | 88.5 | Confident | 88.6 | Confident | 6 Ų | 6 | 69 Ų | 69 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 177.6 | -73.4 | 171.9 | 0 | 0 | 0 | 111.5 | F240 A251 N252 N257 L258 R263 I266 L270 | F240-L255 HydrophobicContact CE1-CD1 4.2Å; F240-L255 HydrophobicContact CE1-CD2 3.89Å; F240-L255 HydrophobicContact CE1-CG 3.99Å; F240-L255 HydrophobicContact CZ-CD2 4Å; F240-L255 HydrophobicContact CZ-CG 4Å; A251-L255 WeakPolarHBondContact O-CB 3.49Å; A251-L255 WeakPolarHBondContact O-CG 3.36Å; A251-L255 PolarHBondContact O-N 3.03Å; N252-L255 PolarHBondContact O-N 3Å; L255-N257 PolarHBondContact O-N 3.21Å; L255-L258 HydrophobicContact CD2-CD1 4.36Å; L255-L258 PolarHBondContact O-N 3.08Å; L255-R263 HydrophobicContact CB-CG 4.18Å; L255-R263 HydrophobicContact CD2-CG 4.14Å; L255-R263 WeakPolarHBondContact O-CD 3.22Å; L255-R263 PolarHBondContact O-NE 3.23Å; L255-R263 PolarHBondContact O-NH2 3.46Å; L255-I266 HydrophobicContact CD2-CB 4.15Å; L255-I266 HydrophobicContact CD2-CG2 3.8Å; L255-L270 HydrophobicContact CD1-CD1 4.18Å |
| 256 | Q | 87.2 | Confident | 88.6 | Confident | 120 Ų | 120 | 67 Ų | 67 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.2 | -28.5 | 176.8 | -75.3 | 173.9 | 6 | 0 | 0 | 113.5 | N252 F254 R263 | N252-Q256 WeakPolarHBondContact O-CB 3.4Å; N252-Q256 VanDerWaalsContact O-CG 3.28Å; N252-Q256 WeakPolarHBondContact O-CG 3.1Å; N252-Q256 PolarHBondContact O-N 3.34Å; F254-Q256 VanDerWaalsContact C-N 3.34Å; F254-Q256 PolarHBondContact O-N 3.15Å; Q256-R263 PolarHBondContact O-NH2 3.26Å |
| 257 | N | 88.3 | Confident | 88.5 | Confident | 132 Ų | 132 | 67.9 Ų | 67.9 | 71% | 0.706 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 2.9 | 177.9 | -74.8 | -73.9 | 0 | 0 | 0 | 114.4 | L253 F254 L255 | L253-N257 PolarHBondContact O-N 3.03Å; L253-N257 PolarHBondContact O-ND2 3.24Å; F254-N257 PolarHBondContact O-N 3.13Å; F254-N257 VanDerWaalsContact O-N 3.15Å; L255-N257 PolarHBondContact O-N 3.21Å |
| 258 | L | 87.7 | Confident | 88.3 | Confident | 17 Ų | 17 | 73.9 Ų | 73.9 | 9% | 0.089 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -93.1 | 147.5 | 173.8 | -70.9 | -177.6 | 0 | 0 | 0 | 113.1 | I225 F254 L255 R263 I266 | I225-L258 HydrophobicContact CD1-CD1 4.4Å; F254-L258 HydrophobicContact CD1-CD1 4.11Å; F254-L258 HydrophobicContact CD1-CG 4.25Å; F254-L258 HydrophobicContact CE1-CD1 3.87Å; F254-L258 HydrophobicContact CE1-CD2 4.13Å; F254-L258 HydrophobicContact CE1-CG 4.11Å; F254-L258 PolarHBondContact O-N 2.85Å; L255-L258 HydrophobicContact CD2-CD1 4.36Å; L255-L258 PolarHBondContact O-N 3.08Å; L258-R263 HydrophobicContact CB-CB 4.26Å; L258-R263 PolarHBondContact O-NE 3.38Å; L258-R263 PolarHBondContact O-NH2 3.3Å; L258-I266 HydrophobicContact CD1-CD1 3.46Å; L258-I266 VanDerWaalsContact CD1-CD1 3.46Å |
| 259 | D | 87.7 | Confident | 88 | Confident | 95 Ų | 95 | 72.6 Ų | 72.6 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | trans | -45.8 | 136.5 | 167.1 | -55.7 | -58 | 0 | 0 | 0 | 111.7 | Q261 K262 R263 | D259-Q261 PolarHBondContact O-N 3.2Å; D259-K262 HydrophobicContact CB-CB 4.36Å; D259-K262 HydrophobicContact CB-CD 4.11Å; D259-K262 HydrophobicContact CB-CG 4.19Å; D259-K262 PolarHBondContact O-N 3.39Å; D259-K262 WeakPolarHBondContact OD2-CD 3.39Å; D259-K262 WeakPolarHBondContact OD2-CE 3.42Å; D259-K262 IonicContact OD2-NZ 3.47Å; D259-K262 PolarHBondContact OD2-NZ 3.39Å; D259-R263 WeakPolarHBondContact O-CB 3.27Å; D259-R263 PolarHBondContact O-N 3.15Å | ||
| 260 | S | 85.7 | Confident | 87.8 | Confident | 65 Ų | 65 | 66.5 Ų | 66.5 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -53.9 | -34.4 | -175.4 | -171.1 | 0 | 0 | 0 | 0 | 113.5 | K264 | S260-K264 WeakPolarHBondContact O-CB 3Å; S260-K264 WeakPolarHBondContact O-CD 3.4Å; S260-K264 VanDerWaalsContact O-CG 3.24Å; S260-K264 WeakPolarHBondContact O-CG 3.3Å; S260-K264 PolarHBondContact O-N 3.44Å; S260-K264 WeakPolarHBondContact OG-CE 3.42Å; S260-K264 PolarHBondContact OG-NZ 2.79Å; S260-K264 VanDerWaalsContact OG-NZ 3.14Å |
| 261 | Q | 87.9 | Confident | 87.4 | Confident | 174 Ų | 174 | 68.5 Ų | 68.5 | 81% | 0.813 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.4 | -46 | 175.6 | -69.4 | -176.9 | -18.5 | 0 | 0 | 113 | D259 L265 | D259-Q261 PolarHBondContact O-N 3.2Å; Q261-L265 PolarHBondContact O-N 2.92Å |
| 262 | K | 88 | Confident | 86.8 | Confident | 65 Ų | 65 | 72.7 Ų | 72.7 | 28% | 0.283 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 178 | -66.2 | 175.2 | -174.4 | 163.5 | 0 | 110.5 | I225 S226 D259 L265 I266 | I225-K262 HydrophobicContact CG2-CB 4.21Å; I225-K262 HydrophobicContact CG2-CD 4.06Å; I225-K262 HydrophobicContact CG2-CG 4.31Å; S226-K262 PolarHBondContact OG-NZ 2.98Å; S226-K262 VanDerWaalsContact OG-NZ 3.07Å; D259-K262 HydrophobicContact CB-CB 4.36Å; D259-K262 HydrophobicContact CB-CD 4.11Å; D259-K262 HydrophobicContact CB-CG 4.19Å; D259-K262 PolarHBondContact O-N 3.39Å; D259-K262 WeakPolarHBondContact OD2-CD 3.39Å; D259-K262 WeakPolarHBondContact OD2-CE 3.42Å; D259-K262 IonicContact OD2-NZ 3.47Å; D259-K262 PolarHBondContact OD2-NZ 3.39Å; K262-L265 PolarHBondContact O-N 3.5Å; K262-I266 WeakPolarHBondContact O-CG1 3.42Å; K262-I266 PolarHBondContact O-N 3.3Å; K262-I266 VanDerWaalsContact O-N 3.14Å |
| 263 | R | 89.4 | Confident | 86.1 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 26% | 0.264 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.1 | -54.9 | 177 | -161.9 | -166.4 | -53.5 | -155.4 | -7.8 | 111.6 | L255 Q256 L258 D259 L265 I266 E267 | L255-R263 HydrophobicContact CB-CG 4.18Å; L255-R263 HydrophobicContact CD2-CG 4.14Å; L255-R263 WeakPolarHBondContact O-CD 3.22Å; L255-R263 PolarHBondContact O-NE 3.23Å; L255-R263 PolarHBondContact O-NH2 3.46Å; Q256-R263 PolarHBondContact O-NH2 3.26Å; L258-R263 HydrophobicContact CB-CB 4.26Å; L258-R263 PolarHBondContact O-NE 3.38Å; L258-R263 PolarHBondContact O-NH2 3.3Å; D259-R263 WeakPolarHBondContact O-CB 3.27Å; D259-R263 PolarHBondContact O-N 3.15Å; R263-L265 VanDerWaalsContact C-N 3.26Å; R263-L265 PolarHBondContact O-N 3.2Å; R263-I266 CarbonylContact O-C 3.4Å; R263-I266 PolarHBondContact O-N 3.48Å; R263-E267 WeakPolarHBondContact CD-OE1 3.5Å; R263-E267 HydrophobicContact CG-CG 4.32Å; R263-E267 VanDerWaalsContact CG-OE1 3.28Å; R263-E267 WeakPolarHBondContact CG-OE1 3.4Å; R263-E267 WeakPolarHBondContact O-CG 3.47Å; R263-E267 PolarHBondContact O-N 2.91Å |
| 264 | K | 87.2 | Confident | 85.2 | Confident | 130 Ų | 130 | 70.2 Ų | 70.2 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.1 | -34 | 178.4 | -76.5 | 167.5 | 177.6 | 159.7 | 0 | 113.8 | S260 E267 K268 | S260-K264 WeakPolarHBondContact O-CB 3Å; S260-K264 WeakPolarHBondContact O-CD 3.4Å; S260-K264 VanDerWaalsContact O-CG 3.24Å; S260-K264 WeakPolarHBondContact O-CG 3.3Å; S260-K264 PolarHBondContact O-N 3.44Å; S260-K264 WeakPolarHBondContact OG-CE 3.42Å; S260-K264 PolarHBondContact OG-NZ 2.79Å; S260-K264 VanDerWaalsContact OG-NZ 3.14Å; K264-E267 WeakPolarHBondContact CA-OE2 3.49Å; K264-K268 VanDerWaalsContact O-CB 3.3Å; K264-K268 WeakPolarHBondContact O-CB 3.19Å; K264-K268 PolarHBondContact O-N 3.41Å |
| 265 | L | 87.9 | Confident | 83.9 | Confident | 74 Ų | 74 | 71.3 Ų | 71.3 | 39% | 0.387 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.3 | -37.8 | 175.8 | -174.7 | 61.9 | 0 | 0 | 0 | 111.9 | Q261 K262 R263 D269 | Q261-L265 PolarHBondContact O-N 2.92Å; K262-L265 PolarHBondContact O-N 3.5Å; R263-L265 VanDerWaalsContact C-N 3.26Å; R263-L265 PolarHBondContact O-N 3.2Å; L265-D269 VanDerWaalsContact O-CG 3.31Å; L265-D269 PolarHBondContact O-N 3.38Å; L265-D269 VanDerWaalsContact O-N 3.14Å |
| 266 | I | 88.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -76.1 | -41.3 | 176.9 | -64.2 | 160.5 | 0 | 0 | 0 | 111.2 | I225 R237 F240 L255 L258 K262 R263 K268 D269 L270 | I225-I266 HydrophobicContact CD1-CD1 3.62Å; I225-I266 HydrophobicContact CG1-CD1 4.12Å; I225-I266 HydrophobicContact CG2-CD1 4.08Å; R237-I266 HydrophobicContact CG-CG1 3.9Å; F240-I266 HydrophobicContact CB-CG2 4.26Å; F240-I266 HydrophobicContact CD1-CG2 3.29Å; F240-I266 HydrophobicContact CD2-CG2 4.48Å; F240-I266 HydrophobicContact CE1-CG2 3.68Å; F240-I266 HydrophobicContact CG-CG2 3.75Å; F240-I266 HydrophobicContact CZ-CG2 4.42Å; L255-I266 HydrophobicContact CD2-CB 4.15Å; L255-I266 HydrophobicContact CD2-CG2 3.8Å; L258-I266 HydrophobicContact CD1-CD1 3.46Å; L258-I266 VanDerWaalsContact CD1-CD1 3.46Å; K262-I266 WeakPolarHBondContact O-CG1 3.42Å; K262-I266 PolarHBondContact O-N 3.3Å; K262-I266 VanDerWaalsContact O-N 3.14Å; R263-I266 CarbonylContact O-C 3.4Å; R263-I266 PolarHBondContact O-N 3.48Å; I266-K268 VanDerWaalsContact C-N 3.29Å; I266-K268 PolarHBondContact O-N 3.03Å; I266-D269 CarbonylContact O-C 3.59Å; I266-D269 PolarHBondContact O-N 3.49Å; I266-D269 VanDerWaalsContact O-N 3.12Å; I266-L270 HydrophobicContact CG2-CD1 3.98Å; I266-L270 HydrophobicContact CG2-CG 4.29Å; I266-L270 WeakPolarHBondContact O-CB 3.26Å; I266-L270 WeakPolarHBondContact O-CG 3.28Å; I266-L270 PolarHBondContact O-N 2.85Å |
| 267 | E | 87.2 | Confident | 79.8 | Confident | 71 Ų | 71 | 78 Ų | 78 | 33% | 0.332 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57 | -43.2 | 172.8 | -71.3 | 164.3 | 165.6 | 0 | 0 | 110.7 | R263 K264 L270 I271 | R263-E267 WeakPolarHBondContact CD-OE1 3.5Å; R263-E267 HydrophobicContact CG-CG 4.32Å; R263-E267 VanDerWaalsContact CG-OE1 3.28Å; R263-E267 WeakPolarHBondContact CG-OE1 3.4Å; R263-E267 WeakPolarHBondContact O-CG 3.47Å; R263-E267 PolarHBondContact O-N 2.91Å; K264-E267 WeakPolarHBondContact CA-OE2 3.49Å; E267-L270 PolarHBondContact O-N 3.46Å; E267-I271 WeakPolarHBondContact O-CD1 3.26Å; E267-I271 VanDerWaalsContact O-CG1 3.24Å; E267-I271 WeakPolarHBondContact O-CG1 3.46Å; E267-I271 PolarHBondContact O-N 2.9Å |
| 268 | K | 86.7 | Confident | 77.5 | Confident | 138 Ų | 138 | 75.2 Ų | 75.2 | 60% | 0.6 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -59.7 | -48 | 171.8 | 177.1 | -173.1 | 170.8 | -174.4 | 0 | 112.3 | K264 I266 L270 I271 A272 | K264-K268 VanDerWaalsContact O-CB 3.3Å; K264-K268 WeakPolarHBondContact O-CB 3.19Å; K264-K268 PolarHBondContact O-N 3.41Å; I266-K268 VanDerWaalsContact C-N 3.29Å; I266-K268 PolarHBondContact O-N 3.03Å; K268-L270 VanDerWaalsContact C-N 3.28Å; K268-L270 PolarHBondContact O-N 3.04Å; K268-I271 PolarHBondContact O-N 3.45Å; K268-A272 PolarHBondContact O-N 2.96Å |
| 269 | D | 83.6 | Confident | 75.4 | Confident | 44 Ų | 44 | 78.4 Ų | 78.4 | 24% | 0.235 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -68.2 | -28.1 | -179.3 | -70.1 | -9 | 0 | 0 | 0 | 111.3 | R237 L265 I266 A273 | R237-D269 IonicContact CZ-OD2 2.88Å; R237-D269 IonicContact NE-OD2 3.52Å; R237-D269 PolarHBondContact NE-OD2 3.32Å; R237-D269 IonicContact NH2-OD2 3.51Å; R237-D269 PolarHBondContact NH2-OD2 3.38Å; L265-D269 VanDerWaalsContact O-CG 3.31Å; L265-D269 PolarHBondContact O-N 3.38Å; L265-D269 VanDerWaalsContact O-N 3.14Å; I266-D269 CarbonylContact O-C 3.59Å; I266-D269 PolarHBondContact O-N 3.49Å; I266-D269 VanDerWaalsContact O-N 3.12Å; D269-A273 WeakPolarHBondContact O-CB 3.25Å; D269-A273 PolarHBondContact O-N 3.17Å; D269-A273 VanDerWaalsContact O-N 3.07Å |
| 270 | L | 84.3 | Confident | 72.8 | Confident | 7 Ų | 7 | 77.2 Ų | 77.2 | 4% | 0.037 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -74.3 | -37.9 | 171.8 | -75.5 | 169.1 | 0 | 0 | 0 | 113.6 | F240 P241 V244 L255 I266 E267 K268 A272 A273 G274 L275 | F240-L270 HydrophobicContact CD1-CD1 3.97Å; F240-L270 HydrophobicContact CD1-CD2 4.25Å; F240-L270 HydrophobicContact CD1-CG 4.31Å; F240-L270 HydrophobicContact CE1-CD1 4.04Å; P241-L270 HydrophobicContact CB-CD2 4.22Å; P241-L270 HydrophobicContact CG-CD2 4.02Å; V244-L270 HydrophobicContact CB-CD2 4.12Å; V244-L270 HydrophobicContact CG1-CD2 4.47Å; V244-L270 HydrophobicContact CG2-CD1 4.03Å; V244-L270 HydrophobicContact CG2-CD2 3.73Å; L255-L270 HydrophobicContact CD1-CD1 4.18Å; I266-L270 HydrophobicContact CG2-CD1 3.98Å; I266-L270 HydrophobicContact CG2-CG 4.29Å; I266-L270 WeakPolarHBondContact O-CB 3.26Å; I266-L270 WeakPolarHBondContact O-CG 3.28Å; I266-L270 PolarHBondContact O-N 2.85Å; E267-L270 PolarHBondContact O-N 3.46Å; K268-L270 VanDerWaalsContact C-N 3.28Å; K268-L270 PolarHBondContact O-N 3.04Å; L270-A272 VanDerWaalsContact C-N 3.33Å; L270-A273 CarbonylContact O-C 3.37Å; L270-A273 WeakPolarHBondContact O-CA 3.43Å; L270-A273 PolarHBondContact O-N 3.28Å; L270-A273 VanDerWaalsContact O-N 3.12Å; L270-G274 PolarHBondContact O-N 3.48Å; L270-L275 HydrophobicContact CD2-CB 4.43Å; L270-L275 HydrophobicContact CD2-CD1 4.11Å; L270-L275 PolarHBondContact O-N 2.95Å |
| 271 | I | 81.6 | Confident | 70.3 | Confident | 98 Ų | 98 | 77.5 Ų | 77.5 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 171.5 | -70.8 | 161.8 | 0 | 0 | 0 | 109.5 | E267 K268 A273 G274 | E267-I271 WeakPolarHBondContact O-CD1 3.26Å; E267-I271 VanDerWaalsContact O-CG1 3.24Å; E267-I271 WeakPolarHBondContact O-CG1 3.46Å; E267-I271 PolarHBondContact O-N 2.9Å; K268-I271 PolarHBondContact O-N 3.45Å; I271-A273 PolarHBondContact O-N 3.14Å; I271-G274 PolarHBondContact O-N 2.71Å |
| 272 | A | 77.3 | Confident | 67.7 | Low | 88 Ų | 88 | 72.5 Ų | 72.5 | 73% | 0.727 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.6 | -24.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K268 L270 | K268-A272 PolarHBondContact O-N 2.96Å; L270-A272 VanDerWaalsContact C-N 3.33Å |
| 273 | A | 73.4 | Confident | 65.2 | Low | 29 Ų | 29 | 77.3 Ų | 77.3 | 24% | 0.24 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 0.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R11 P241 D269 L270 I271 | R11-A273 PolarHBondContact NH1-O 3.46Å; R11-A273 PolarHBondContact NH2-O 3.43Å; P241-A273 HydrophobicContact CB-CB 3.95Å; P241-A273 HydrophobicContact CG-CB 3.8Å; D269-A273 WeakPolarHBondContact O-CB 3.25Å; D269-A273 PolarHBondContact O-N 3.17Å; D269-A273 VanDerWaalsContact O-N 3.07Å; L270-A273 CarbonylContact O-C 3.37Å; L270-A273 WeakPolarHBondContact O-CA 3.43Å; L270-A273 PolarHBondContact O-N 3.28Å; L270-A273 VanDerWaalsContact O-N 3.12Å; I271-A273 PolarHBondContact O-N 3.14Å |
| 274 | G | 70.5 | Confident | 62.6 | Low | 46 Ų | 46 | 81 Ų | 81 | 47% | 0.474 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 60.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R11 L270 I271 | R11-G274 PolarHBondContact NH2-O 2.9Å; L270-G274 PolarHBondContact O-N 3.48Å; I271-G274 PolarHBondContact O-N 2.71Å |
| 275 | L | 62.6 | Low | 60 | Low | 27 Ų | 27 | 78.8 Ų | 78.8 | 14% | 0.141 | 51% | 0.514 | C | S | . | . | trans | -134.1 | 44.6 | 178.9 | -69.6 | 172.8 | 0 | 0 | 0 | 112 | P241 V244 L270 | P241-L275 HydrophobicContact CB-CD1 3.82Å; P241-L275 WeakPolarHBondContact O-CD1 3.27Å; V244-L275 HydrophobicContact CB-CD1 4.46Å; V244-L275 HydrophobicContact CG1-CB 4.46Å; V244-L275 HydrophobicContact CG1-CD1 4.34Å; L270-L275 HydrophobicContact CD2-CB 4.43Å; L270-L275 HydrophobicContact CD2-CD1 4.11Å; L270-L275 PolarHBondContact O-N 2.95Å | ||
| 276 | S | 50.6 | Low | 57.5 | Low | 79 Ų | 79 | 81.4 Ų | 81.4 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | trans | -107.8 | 27.7 | -166.8 | 66.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 277 | E | 38.8 | Very low | 55 | Low | 188 Ų | 188 | 88.1 Ų | 88.1 | 88% | 0.879 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -116.1 | 135.1 | 172.7 | -65.6 | -168.7 | 149.8 | 0 | 0 | 110.3 | ||
| 278 | G | 41.6 | Very low | 52.4 | Low | 74 Ų | 74 | 88.4 Ų | 88.4 | 76% | 0.763 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 102.3 | -4.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | G280 | G278-G280 PolarHBondContact O-N 3.32Š|
| 279 | I | 42.5 | Very low | 50.2 | Low | 84 Ų | 84 | 86.9 Ų | 86.9 | 43% | 0.431 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -100.6 | 81.2 | -176.2 | -46.8 | -173.5 | 0 | 0 | 0 | 111.5 | N252 | N252-I279 WeakPolarHBondContact OD1-CD1 3.4Å; N252-I279 VanDerWaalsContact OD1-CG1 3.3Å; N252-I279 WeakPolarHBondContact OD1-CG1 3.5Å; N252-I279 WeakPolarHBondContact OD1-CG2 3.4Å |
| 280 | G | 34.2 | Very low | 48 | Very low | 70 Ų | 70 | 89.9 Ų | 89.9 | 72% | 0.722 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 114.7 | 89.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | G278 | G278-G280 PolarHBondContact O-N 3.32Š|
| 281 | A | 32.8 | Very low | 45.5 | Very low | 71 Ų | 71 | 100.5 Ų | 100.5 | 59% | 0.587 | 67% | 0.668 | S | S | * | * | trans | -169.3 | 96 | 153.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | S531 | A281-S531 WeakPolarHBondContact CB-OG 3.35Š| ||
| 282 | G | 32 | Very low | 43.4 | Very low | 68 Ų | 68 | 100.7 Ų | 100.7 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | trans | -156.7 | 144.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 283 | D | 36.2 | Very low | 41.6 | Very low | 167 Ų | 167 | 105.4 Ų | 105.4 | 89% | 0.893 | 68% | 0.684 | S | S | * | * | trans | 59.8 | 141.9 | -174.3 | -51.2 | -33.8 | 0 | 0 | 0 | 115.3 | ||||
| 284 | T | 35.1 | Very low | 39.8 | Very low | 146 Ų | 146 | 109 Ų | 109 | 90% | 0.896 | 71% | 0.705 | S | S | * | * | cis | -125 | 160.1 | 13.1 | -44.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 285 | A | 31.6 | Very low | 38.2 | Very low | 84 Ų | 84 | 110 Ų | 110 | 69% | 0.694 | 72% | 0.715 | S | S | * | * | trans | -104.4 | 155.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 286 | T | 36.5 | Very low | 37 | Very low | 130 Ų | 130 | 113.2 Ų | 113.2 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | 179.5 | 141.8 | 126.6 | 31.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 287 | T | 36.1 | Very low | 36.4 | Very low | 142 Ų | 142 | 118.2 Ų | 118.2 | 87% | 0.871 | 76% | 0.755 | S | S | * | * | trans | 36.5 | 150.5 | 149.3 | 57.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 288 | G | 33.4 | Very low | 36.2 | Very low | 76 Ų | 76 | 113.5 Ų | 113.5 | 78% | 0.784 | 74% | 0.743 | S | S | * | * | trans | 143.5 | 31.8 | 150.3 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 289 | S | 38.4 | Very low | 35.9 | Very low | 107 Ų | 107 | 116.4 Ų | 116.4 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | 27.1 | 134.7 | 155.7 | -163.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 290 | S | 37.9 | Very low | 35.7 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | 65.3 | 148.7 | 143 | 51.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 291 | R | 31.9 | Very low | 35.5 | Very low | 230 Ų | 230 | 121.6 Ų | 121.6 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | cis | -174.2 | 145 | -19 | -174.1 | -175.8 | -179.3 | 164.7 | -1.7 | 109.5 | ||||
| 292 | S | 38 | Very low | 35.5 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 58.1 | 156 | 157.4 | 47.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 293 | Q | 40.1 | Very low | 35.5 | Very low | 187 Ų | 187 | 131.3 Ų | 131.3 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | cis | -168.4 | -175.5 | -36.6 | -124.4 | -157.1 | 18.7 | 0 | 0 | 108.5 | ||||
| 294 | P | 35.7 | Very low | 35.3 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | -133.3 | -178 | -129.3 | 45 | -26.7 | 0 | 0 | 0 | 118.6 | |||||
| 295 | G | 36.4 | Very low | 35.1 | Very low | 67 Ų | 67 | 126.6 Ų | 126.6 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | trans | 143.7 | 158.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 296 | S | 37.8 | Very low | 35.2 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | -167.8 | 164.9 | -15.7 | -164 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 297 | Q | 38.1 | Very low | 34.8 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | 68.5 | 152.6 | 172.2 | -53.8 | 178.5 | 7.8 | 0 | 0 | 117.2 | ||||
| 298 | S | 34 | Very low | 34.6 | Very low | 89 Ų | 89 | 135.1 Ų | 135.1 | 62% | 0.622 | 75% | 0.75 | S | S | * | * | cis | -163.5 | 163.6 | -24.1 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 299 | N | 34.9 | Very low | 34.7 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 61.1 | 115.8 | 163.1 | -54.9 | -21.9 | 0 | 0 | 0 | 119.4 | ||||
| 300 | L | 37.8 | Very low | 34.4 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | 72.8 | 106.5 | 62.5 | -71.9 | 159.7 | 0 | 0 | 0 | 113.9 | |||||
| 301 | T | 31.5 | Very low | 34.3 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | -168.3 | 156.2 | 82 | -70.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 302 | Y | 32.2 | Very low | 34.7 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | trans | -36.2 | 159.3 | 167.4 | -70.1 | -92.5 | 0 | 0 | 0 | 116.7 | R540 | Y302-R540 VanDerWaalsContact CZ-NH2 3.33Å; Y302-R540 VanDerWaalsContact OH-CZ 3.32Å; Y302-R540 PolarHBondContact OH-NH1 3.14Å; Y302-R540 PolarHBondContact OH-NH2 3.15Å | ||
| 303 | Q | 32.1 | Very low | 34.5 | Very low | 185 Ų | 185 | 142 Ų | 142 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | cis | -143 | 145.7 | 24.5 | -134.1 | 158 | 30.2 | 0 | 0 | 110.5 | ||||
| 304 | S | 31.1 | Very low | 34.3 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | -112.3 | 134.6 | -152.7 | -148.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 305 | T | 31.3 | Very low | 34.4 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | trans | 32.5 | 116.5 | 137.6 | 59.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 306 | K | 33.5 | Very low | 34.3 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 85% | 0.852 | 74% | 0.744 | S | S | * | * | 49.7 | 117.2 | 64.2 | -57.8 | -177.4 | 179 | 177.2 | 0 | 115 | |||||
| 307 | R | 27.7 | Very low | 34.3 | Very low | 239 Ų | 239 | 139.4 Ų | 139.4 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | 27.9 | 150.9 | 114 | -110.7 | -172.6 | -171.6 | -150.7 | 4.9 | 118.5 | |||||
| 308 | P | 33.3 | Very low | 34.4 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | -127.2 | -160.2 | -77.3 | 41 | -24.5 | 0 | 0 | 0 | 111.3 | |||||
| 309 | N | 33.8 | Very low | 34.5 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | 62.8 | 112.9 | 152.2 | -72.9 | -6 | 0 | 0 | 0 | 122.2 | ||||
| 310 | R | 32.3 | Very low | 34.6 | Very low | 233 Ų | 233 | 138.8 Ų | 138.8 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | 71.5 | -175.7 | 118.9 | -125.2 | -159.4 | 175.6 | -170.6 | -1.4 | 116.7 | |||||
| 311 | P | 37.5 | Very low | 34.6 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 60% | 0.597 | 75% | 0.753 | S | S | * | * | -139.2 | -163.6 | -107 | 49.1 | -31.5 | 0 | 0 | 0 | 117 | |||||
| 312 | V | 39.9 | Very low | 34.9 | Very low | 122 Ų | 122 | 137 Ų | 137 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | trans | 75.1 | 128.2 | 150.4 | 166.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 313 | L | 33.2 | Very low | 35.2 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | -167.9 | 151.7 | 127.8 | -121.7 | 81.5 | 0 | 0 | 0 | 107.2 | |||||
| 314 | G | 35.5 | Very low | 35.4 | Very low | 51 Ų | 51 | 137.8 Ų | 137.8 | 53% | 0.526 | 75% | 0.748 | S | S | . | * | cis | -151.3 | 170.9 | -4.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 315 | T | 38.4 | Very low | 35.8 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | 69.3 | 137.4 | 96.1 | 60.5 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 316 | S | 34.9 | Very low | 36 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | cis | 173 | 141.1 | -13.3 | 48.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 317 | S | 37.8 | Very low | 36.3 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -175.6 | 131.4 | 149 | 43.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 318 | L | 38.8 | Very low | 36.7 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 90% | 0.895 | 74% | 0.743 | S | S | * | * | trans | 32.1 | 150.7 | 132.4 | -73.4 | 69.5 | 0 | 0 | 0 | 122 | ||||
| 319 | A | 37 | Very low | 36.6 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | cis | -172.9 | 159.9 | -13.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 320 | N | 37 | Very low | 36.7 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | trans | 45.2 | 151.1 | 147 | -58.9 | -2.3 | 0 | 0 | 0 | 121 | ||||
| 321 | N | 37.5 | Very low | 36.6 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | cis | -159.1 | 153 | 26 | -146.3 | 11.7 | 0 | 0 | 0 | 114.7 | ||||
| 322 | T | 37.2 | Very low | 36.2 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | trans | 26.6 | 121 | 152.1 | 53.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 323 | N | 39.3 | Very low | 35.7 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | 175.3 | 148.8 | 98.1 | -96.9 | -62.4 | 0 | 0 | 0 | 115.2 | |||||
| 324 | R | 36 | Very low | 35.5 | Very low | 226 Ų | 226 | 129.1 Ų | 129.1 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | trans | 31.1 | 139.7 | 146.4 | -62.8 | 176.1 | 177.5 | -174.5 | -2.4 | 120.5 | ||||
| 325 | S | 39.2 | Very low | 35.3 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | cis | -166.6 | 171.4 | 1 | -98.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 326 | R | 36 | Very low | 34.9 | Very low | 233 Ų | 233 | 134.7 Ų | 134.7 | 88% | 0.879 | 73% | 0.727 | S | S | * | * | trans | -50 | 170.7 | 170.2 | -96 | -176.5 | 168.3 | -157.4 | -1.4 | 115.9 | ||||
| 327 | P | 40.1 | Very low | 34.8 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 75% | 0.753 | 72% | 0.721 | S | S | * | * | cis | -137.3 | 173.3 | 16.7 | 41.9 | -24.9 | 0 | 0 | 0 | 118.4 | ||||
| 328 | P | 36.6 | Very low | 34.5 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 62% | 0.623 | 72% | 0.723 | S | S | * | * | trans | -109.3 | -173.5 | 161.1 | 41.3 | -32.7 | 0 | 0 | 0 | 113.5 | ||||
| 329 | L | 30.5 | Very low | 34.4 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | trans | 89.9 | 162.9 | 164.6 | -65.3 | 161.5 | 0 | 0 | 0 | 119.2 | ||||
| 330 | T | 36 | Very low | 34.1 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | trans | 70.3 | 127.7 | -174.8 | 64.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 331 | S | 29.5 | Very low | 33.8 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | cis | 81.5 | 141.1 | 27.5 | 85.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 332 | Q | 30.8 | Very low | 33.8 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 81% | 0.808 | 71% | 0.708 | S | S | * | * | trans | 70.5 | 150.9 | -171 | -57.4 | -172.6 | -23.1 | 0 | 0 | 113.3 | ||||
| 333 | N | 28.7 | Very low | 33.4 | Very low | 82 Ų | 82 | 139.8 Ų | 139.8 | 44% | 0.439 | 71% | 0.714 | S | S | . | * | cis | -149.1 | 140.3 | -16.8 | -114.8 | 15.2 | 0 | 0 | 0 | 107.4 | Y335 | N333-Y335 HydrophobicContact CB-CE2 3.94Å; N333-Y335 PolarHBondContact ND2-OH 2.83Å | ||
| 334 | E | 28.5 | Very low | 33.1 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 65% | 0.645 | 72% | 0.716 | S | S | * | * | 74 | 163.6 | 86.7 | -153.2 | -175.9 | 168.5 | 0 | 0 | 112 | |||||
| 335 | Y | 30.9 | Very low | 32.9 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | trans | 67.3 | 154.7 | 178.7 | -21.8 | -60.8 | 0 | 0 | 0 | 113.3 | N333 | N333-Y335 HydrophobicContact CB-CE2 3.94Å; N333-Y335 PolarHBondContact ND2-OH 2.83Å | ||
| 336 | N | 31.1 | Very low | 32.4 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | cis | -166.1 | 162.6 | -11.8 | -115.9 | -9.4 | 0 | 0 | 0 | 106.1 | ||||
| 337 | T | 31.6 | Very low | 32.3 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 63% | 0.632 | 70% | 0.704 | S | S | * | * | cis | -176.3 | 148.3 | -21.3 | -130.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 338 | V | 32.6 | Very low | 31.9 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 80% | 0.8 | 70% | 0.702 | S | S | * | * | trans | 63.2 | 155.2 | 166.5 | 167.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 339 | G | 36 | Very low | 31.6 | Very low | 67 Ų | 67 | 128.1 Ų | 128.1 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | cis | -133.4 | 157.1 | -5.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 340 | R | 30.3 | Very low | 31.6 | Very low | 198 Ų | 198 | 127.7 Ų | 127.7 | 75% | 0.747 | 70% | 0.701 | S | S | * | * | cis | 115.4 | 89.6 | 26.3 | -176.1 | -174.9 | -167.6 | -168 | 6.4 | 109.2 | ||||
| 341 | S | 31.6 | Very low | 31.5 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 60% | 0.601 | 70% | 0.703 | S | S | * | * | trans | 71.4 | 162 | 147.9 | -49.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 342 | Y | 36.5 | Very low | 31.5 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 65% | 0.651 | 71% | 0.706 | S | S | * | * | cis | -122 | 149.2 | 13.2 | -79.7 | -97.5 | 0 | 0 | 0 | 110.8 | ||||
| 343 | R | 30.5 | Very low | 31.7 | Very low | 194 Ų | 194 | 129 Ų | 129 | 73% | 0.732 | 69% | 0.693 | S | S | * | * | 48.5 | 149.8 | 84.4 | -45.8 | -164.4 | -176.1 | 177.2 | -3.6 | 113.7 | |||||
| 344 | Q | 31.9 | Very low | 31.7 | Very low | 162 Ų | 162 | 135 Ų | 135 | 76% | 0.757 | 71% | 0.709 | S | S | * | * | cis | -160.2 | 166.8 | 19.8 | -147 | 155 | -76.8 | 0 | 0 | 111.3 | ||||
| 345 | G | 31.8 | Very low | 32.1 | Very low | 64 Ų | 64 | 134.1 Ų | 134.1 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | trans | 92 | 124.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 346 | S | 29.9 | Very low | 32 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | cis | 62.1 | 134.1 | 18.5 | -141.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 347 | I | 32.3 | Very low | 32 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | -152.3 | 154.4 | 50.7 | -78.9 | 166 | 0 | 0 | 0 | 111.4 | |||||
| 348 | A | 31.7 | Very low | 32 | Very low | 87 Ų | 87 | 138.6 Ų | 138.6 | 72% | 0.719 | 73% | 0.726 | S | S | * | * | trans | 67.3 | 155.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 349 | S | 31.1 | Very low | 31.9 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 62% | 0.622 | 72% | 0.718 | S | S | * | * | cis | -170.5 | 139.6 | -27.4 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 350 | N | 29.7 | Very low | 31.6 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | trans | 61.7 | 159 | 156.7 | -53.3 | -16.6 | 0 | 0 | 0 | 115.7 | ||||
| 351 | Y | 35.5 | Very low | 31.5 | Very low | 209 Ų | 209 | 143 Ų | 143 | 82% | 0.82 | 73% | 0.731 | S | S | * | * | cis | -132.4 | 138.2 | 2 | 24.3 | -90.5 | 0 | 0 | 0 | 106.8 | ||||
| 352 | D | 29.3 | Very low | 31.5 | Very low | 135 Ų | 135 | 146.3 Ų | 146.3 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | 58.9 | 128.9 | 75.6 | -154.5 | 55.5 | 0 | 0 | 0 | 111.3 | |||||
| 353 | S | 33.4 | Very low | 31.2 | Very low | 78 Ų | 78 | 144.8 Ų | 144.8 | 55% | 0.545 | 75% | 0.749 | S | S | . | * | cis | -159.7 | 169.3 | 9.1 | -131.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 354 | R | 30.5 | Very low | 31.1 | Very low | 207 Ų | 207 | 140.3 Ų | 140.3 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | cis | -164.1 | 137.8 | -10.5 | -135.3 | 168.3 | -161 | -176.5 | 4.2 | 107.6 | ||||
| 355 | P | 35.9 | Very low | 31 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | -83.1 | 134 | 171 | 32.5 | -32.5 | 0 | 0 | 0 | 111.1 | ||||
| 356 | R | 29.4 | Very low | 30.8 | Very low | 205 Ų | 205 | 142.4 Ų | 142.4 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | trans | 178 | 153.2 | 170.6 | -104.4 | 172 | -168.5 | -120.7 | 11.8 | 108.3 | ||||
| 357 | Q | 30.3 | Very low | 30.7 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 60% | 0.603 | 75% | 0.745 | S | S | * | * | cis | -165.7 | 156.7 | -10 | -141.6 | 169.2 | -23 | 0 | 0 | 107.7 | ||||
| 358 | I | 31.5 | Very low | 30.5 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | trans | 68.2 | 134.7 | 163.6 | -51.6 | 150.8 | 0 | 0 | 0 | 115.2 | ||||
| 359 | G | 31.2 | Very low | 30.1 | Very low | 61 Ų | 61 | 142.3 Ų | 142.3 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | cis | 169.4 | 164.6 | -12.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 360 | R | 29.7 | Very low | 29.8 | Very low | 235 Ų | 235 | 141.5 Ų | 141.5 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | trans | 50.4 | 114.7 | 147 | -66.3 | -179.4 | 170.4 | -176.9 | -2.7 | 121 | ||||
| 361 | K | 28.3 | Very low | 29.6 | Very low | 192 Ų | 192 | 145.8 Ų | 145.8 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | trans | 74.5 | 162.9 | 135 | -71.5 | -168.7 | 171 | -169.8 | 0 | 118.8 | ||||
| 362 | L | 32.1 | Very low | 29 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | 68.4 | 116.8 | -176.1 | -57.2 | 122 | 0 | 0 | 0 | 111.9 | ||||
| 363 | V | 29.5 | Very low | 28.9 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | 65.3 | 76.4 | 52.9 | -170.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 364 | S | 28.4 | Very low | 28.7 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | trans | -147 | 122.6 | 151.5 | -169.7 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 365 | Q | 28.5 | Very low | 28.4 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | 59.9 | 137.1 | 59.5 | -63.1 | -170.3 | -11.8 | 0 | 0 | 113.3 | |||||
| 366 | S | 28.1 | Very low | 28 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | 64 | 130.1 | -179.2 | 74.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 367 | Q | 27.6 | Very low | 27.8 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | cis | 61.9 | 133.5 | 39.5 | -62.4 | -149.1 | 78.7 | 0 | 0 | 113 | T369 | Q367-T369 WeakPolarHBondContact CB-OG1 3.38Å; Q367-T369 PolarHBondContact NE2-OG1 2.95Å; Q367-T369 PolarHBondContact OE1-OG1 3.48Å | ||
| 368 | P | 28 | Very low | 27.6 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 85% | 0.851 | 74% | 0.737 | S | S | * | * | -84.1 | 128.7 | 79.1 | 22.9 | -34.6 | 0 | 0 | 0 | 111.4 | |||||
| 369 | T | 23.6 | Very low | 27.3 | Very low | 78 Ų | 78 | 134.5 Ų | 134.5 | 48% | 0.479 | 73% | 0.726 | S | S | . | * | cis | 52.8 | 93 | 27.8 | -56.4 | 0 | 0 | 0 | 0 | 112 | Q367 R371 | Q367-T369 WeakPolarHBondContact CB-OG1 3.38Å; Q367-T369 PolarHBondContact NE2-OG1 2.95Å; Q367-T369 PolarHBondContact OE1-OG1 3.48Å; T369-R371 PolarHBondContact O-N 2.9Å | ||
| 370 | S | 25.7 | Very low | 27 | Very low | 73 Ų | 73 | 136.9 Ų | 136.9 | 51% | 0.51 | 72% | 0.717 | S | S | . | * | trans | 38.5 | 78.2 | 136.7 | -54.9 | 0 | 0 | 0 | 0 | 118 | E372 | S370-E372 WeakPolarHBondContact CB-OE1 3.47Å; S370-E372 PolarHBondContact OG-OE1 3.29Å | ||
| 371 | R | 26 | Very low | 26.9 | Very low | 238 Ų | 238 | 132 Ų | 132 | 90% | 0.898 | 70% | 0.702 | S | S | * | * | -123.9 | 99.5 | 115.4 | -78.3 | -176.2 | 161.8 | 155.7 | -5.6 | 106.1 | T369 | T369-R371 PolarHBondContact O-N 2.9Š| |||
| 372 | E | 22.5 | Very low | 26.9 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | cis | 52.2 | 66.1 | 29.2 | -80.7 | -158.3 | -108.7 | 0 | 0 | 112.9 | S370 | S370-E372 WeakPolarHBondContact CB-OE1 3.47Å; S370-E372 PolarHBondContact OG-OE1 3.29Å | ||
| 373 | V | 25.9 | Very low | 26.7 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 70% | 0.697 | 69% | 0.686 | S | S | * | * | trans | -142.1 | 113.1 | 148.4 | -176.2 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 374 | S | 29.9 | Very low | 26.6 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 69% | 0.69 | S | S | * | * | cis | 50 | 89 | 9 | -75.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 375 | P | 24.6 | Very low | 26.6 | Very low | 99 Ų | 99 | 127.1 Ų | 127.1 | 64% | 0.643 | 69% | 0.687 | S | S | * | * | -129 | 155.2 | 73.5 | 39.6 | -30.7 | 0 | 0 | 0 | 113.2 | |||||
| 376 | S | 26.8 | Very low | 26.7 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 66% | 0.657 | 69% | 0.688 | S | S | * | * | cis | 67.7 | 83.5 | 35.4 | -62.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 377 | R | 25.1 | Very low | 26.8 | Very low | 231 Ų | 231 | 126 Ų | 126 | 87% | 0.872 | 69% | 0.687 | S | S | * | * | trans | 72 | 158.7 | 174 | -36.1 | 148.5 | 173.4 | 173.5 | -4.3 | 111.6 | ||||
| 378 | L | 25.8 | Very low | 27 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 83% | 0.827 | 69% | 0.694 | S | S | * | * | cis | -101.2 | 148.2 | 2.6 | -92.3 | 41.1 | 0 | 0 | 0 | 109.5 | ||||
| 379 | A | 24.9 | Very low | 27 | Very low | 74 Ų | 74 | 123.9 Ų | 123.9 | 61% | 0.612 | 69% | 0.686 | S | S | * | * | 77.2 | 121.6 | 56.1 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 380 | Y | 25.6 | Very low | 27.3 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 43% | 0.431 | 70% | 0.696 | S | S | . | * | trans | 55.1 | 129.7 | 134.2 | -92.8 | -69.7 | 0 | 0 | 0 | 122.5 | N930 | Y380-N930 WeakPolarHBondContact CD1-O 3.34Å; Y380-N930 WeakPolarHBondContact CE1-O 3.49Å | ||
| 381 | F | 27.5 | Very low | 27.6 | Very low | 132 Ų | 132 | 129 Ų | 129 | 58% | 0.579 | 71% | 0.705 | S | S | * | * | trans | 60.3 | 165.1 | 167.3 | -57 | -77.7 | 0 | 0 | 0 | 115.8 | N929 | F381-N929 WeakPolarHBondContact CZ-OD1 3.2Š| ||
| 382 | T | 28.2 | Very low | 27.8 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 72% | 0.724 | 69% | 0.693 | S | S | * | * | cis | -150.5 | 167.1 | -40.3 | -93.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 383 | A | 28 | Very low | 28.3 | Very low | 71 Ų | 71 | 123.5 Ų | 123.5 | 59% | 0.587 | 70% | 0.698 | S | S | * | * | trans | -77.3 | 177.7 | -173 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 384 | Y | 27.5 | Very low | 28.6 | Very low | 231 Ų | 231 | 121.1 Ų | 121.1 | 91% | 0.906 | 70% | 0.697 | S | S | * | * | trans | 94.8 | 141.7 | 159.9 | -54.5 | -67.9 | 0 | 0 | 0 | 119.9 | ||||
| 385 | G | 27.9 | Very low | 28.7 | Very low | 60 Ų | 60 | 123.9 Ų | 123.9 | 62% | 0.619 | 70% | 0.699 | S | S | * | * | trans | 98.6 | 116.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 386 | T | 30.6 | Very low | 28.9 | Very low | 132 Ų | 132 | 127 Ų | 127 | 81% | 0.81 | 70% | 0.702 | S | S | * | * | cis | 68.1 | 130.5 | 47.6 | 74.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 387 | T | 30 | Very low | 29.3 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | cis | -170 | -175.3 | 3.5 | 12.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 388 | T | 31.9 | Very low | 29.6 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 83% | 0.828 | 70% | 0.695 | S | S | * | * | trans | 75.7 | 154.5 | 159 | 62.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 389 | S | 28.7 | Very low | 30 | Very low | 96 Ų | 96 | 124.8 Ų | 124.8 | 67% | 0.671 | 69% | 0.689 | S | S | * | * | cis | -167 | 159.9 | -39.9 | -142.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 390 | N | 29.8 | Very low | 30.2 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | trans | 75.9 | 136.5 | 140.6 | -82.5 | 23.6 | 0 | 0 | 0 | 124.8 | ||||
| 391 | N | 32.2 | Very low | 30.5 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 68% | 0.679 | 71% | 0.706 | S | S | * | * | trans | 95.6 | 95.6 | 133.5 | -72.4 | 16.5 | 0 | 0 | 0 | 122.6 | ||||
| 392 | N | 31.3 | Very low | 30.8 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 66% | 0.663 | 72% | 0.715 | S | S | * | * | 105.9 | 144 | 105.6 | -97.9 | 46.9 | 0 | 0 | 0 | 123.9 | |||||
| 393 | D | 32.5 | Very low | 31 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 78% | 0.775 | 72% | 0.72 | S | S | * | * | trans | 70 | 146 | 153.5 | -61.4 | -47.5 | 0 | 0 | 0 | 121.9 | ||||
| 394 | G | 30.9 | Very low | 31.4 | Very low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | trans | -169.5 | -96.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 395 | Q | 32.3 | Very low | 31.7 | Very low | 153 Ų | 153 | 125.6 Ų | 125.6 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | trans | 78.9 | 155.5 | 177.1 | -52.3 | -178.8 | -4.7 | 0 | 0 | 120.4 | ||||
| 396 | K | 30.2 | Very low | 32 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | trans | 73.3 | 150.2 | 166.2 | -60.7 | 123.8 | 179.8 | 158.4 | 0 | 116.5 | ||||
| 397 | L | 33.8 | Very low | 32.2 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | cis | -122.7 | -174.8 | -11.9 | -71.4 | -177.9 | 0 | 0 | 0 | 108.5 | ||||
| 398 | Q | 31.3 | Very low | 32.4 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | cis | 74.1 | 146.1 | 18.9 | -56.2 | 171.5 | -47.3 | 0 | 0 | 115 | ||||
| 399 | F | 34.4 | Very low | 32.5 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 70% | 0.697 | 73% | 0.725 | S | S | * | * | cis | -130 | 144.4 | 7.6 | -76.8 | -88.7 | 0 | 0 | 0 | 110.5 | ||||
| 400 | N | 29.4 | Very low | 32.9 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | 97.2 | 139.9 | 58.1 | -147.4 | 38.8 | 0 | 0 | 0 | 111.8 | |||||
| 401 | T | 32.3 | Very low | 33.2 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | cis | -119 | -102.7 | 9 | -45.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 402 | T | 33.8 | Very low | 33.4 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | cis | -160 | 155.8 | 1 | -52.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 403 | N | 32.5 | Very low | 33.8 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | -163.7 | -164.3 | -179.2 | -139.2 | -2.8 | 0 | 0 | 0 | 108.8 | ||||
| 404 | P | 37 | Very low | 34 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 60% | 0.597 | 74% | 0.74 | S | S | * | * | cis | -143.3 | 179.5 | -2.8 | 43.1 | -22.5 | 0 | 0 | 0 | 119.4 | ||||
| 405 | N | 33.9 | Very low | 34.4 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | 93.4 | 134.8 | 133.4 | -87.8 | -20.4 | 0 | 0 | 0 | 127.5 | ||||
| 406 | R | 34.3 | Very low | 34.7 | Very low | 213 Ų | 213 | 134 Ų | 134 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | 93.1 | 101.5 | 139.8 | -79 | 177.8 | 179.1 | -170.6 | -0.5 | 124.4 | ||||
| 407 | N | 33.2 | Very low | 35.1 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 87% | 0.866 | 73% | 0.734 | S | S | * | * | 48.7 | 131.4 | 123.5 | -56.4 | 15 | 0 | 0 | 0 | 123.4 | |||||
| 408 | G | 34.8 | Very low | 35.1 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | trans | -162.2 | 157.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 409 | T | 34.8 | Very low | 35.4 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | -156.8 | 166.2 | -165.2 | -32.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 410 | I | 36.1 | Very low | 35.4 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | trans | 76 | 134.7 | 172.3 | -48 | 170.1 | 0 | 0 | 0 | 113.6 | ||||
| 411 | G | 36.7 | Very low | 35.5 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | cis | -153.6 | -145.9 | -3.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 412 | L | 36.3 | Very low | 35.5 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | cis | -139.7 | -114.1 | -2.3 | -93.9 | 173.8 | 0 | 0 | 0 | 111.2 | ||||
| 413 | V | 38.5 | Very low | 35.4 | Very low | 115 Ų | 115 | 137 Ų | 137 | 70% | 0.697 | 76% | 0.756 | S | S | * | * | trans | -153.6 | 162 | -163.4 | -133.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 414 | D | 37.9 | Very low | 35.4 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 69.8 | 143.7 | 149.9 | -68.8 | -40.7 | 0 | 0 | 0 | 122.7 | ||||
| 415 | N | 38.3 | Very low | 35.2 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 65% | 0.647 | 76% | 0.762 | S | S | * | * | cis | -163.3 | 158.2 | -30.9 | -141.6 | -35.8 | 0 | 0 | 0 | 113.6 | ||||
| 416 | N | 38.8 | Very low | 35 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | trans | 60.8 | 120.6 | 155 | -74.6 | -41.5 | 0 | 0 | 0 | 124.4 | ||||
| 417 | N | 38.1 | Very low | 34.8 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | 71.9 | 138.3 | 128.8 | -63.7 | -9.1 | 0 | 0 | 0 | 121.7 | |||||
| 418 | T | 35.8 | Very low | 34.5 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | cis | -156.7 | 145.2 | -3.9 | 4.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 419 | T | 35.9 | Very low | 34.4 | Very low | 116 Ų | 116 | 143 Ų | 143 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | trans | 39.9 | 94.4 | 152.9 | 54.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 420 | T | 35.3 | Very low | 34.3 | Very low | 135 Ų | 135 | 142 Ų | 142 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | 85.3 | 119.9 | 70.5 | 58.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 421 | E | 31.5 | Very low | 34.2 | Very low | 201 Ų | 201 | 146 Ų | 146 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | trans | -106.1 | -173.7 | -173 | -61.7 | -169 | 108.7 | 0 | 0 | 115.3 | ||||
| 422 | R | 32.9 | Very low | 34.2 | Very low | 233 Ų | 233 | 149.2 Ų | 149.2 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -67.3 | 136.3 | 174.3 | -85.4 | 177.5 | 169 | 169.5 | -4 | 114.7 | ||||
| 423 | T | 31.6 | Very low | 34.3 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 69% | 0.693 | 77% | 0.767 | S | S | * | * | 48.6 | 128.8 | 126.4 | -23.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 424 | T | 32.1 | Very low | 34.1 | Very low | 116 Ų | 116 | 152.6 Ų | 152.6 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | trans | 102.9 | 141.4 | 150.6 | 76.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 425 | R | 33.3 | Very low | 34.2 | Very low | 219 Ų | 219 | 151.2 Ų | 151.2 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | 84.8 | 90.1 | 157.8 | -49.7 | -166.6 | -172.9 | -160.8 | -2 | 120.5 | ||||
| 426 | L | 29.9 | Very low | 34.4 | Very low | 159 Ų | 159 | 154.9 Ų | 154.9 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | 65 | 146.3 | 122.3 | -62.4 | 171.2 | 0 | 0 | 0 | 121.5 | |||||
| 427 | L | 29.3 | Very low | 34.3 | Very low | 142 Ų | 142 | 153.1 Ų | 153.1 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | 81.4 | 93.5 | 157.2 | -66.9 | 145.6 | 0 | 0 | 0 | 120.5 | ||||
| 428 | M | 27.4 | Very low | 34.2 | Very low | 164 Ų | 164 | 151.3 Ų | 151.3 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | 82.1 | 158 | 127.9 | -70.2 | -174.2 | 172.7 | 0 | 0 | 122.5 | |||||
| 429 | N | 31.4 | Very low | 34.4 | Very low | 152 Ų | 152 | 151.2 Ų | 151.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | 68.9 | 107.8 | 176 | -57.6 | -23.3 | 0 | 0 | 0 | 115.7 | ||||
| 430 | S | 33.2 | Very low | 34.4 | Very low | 113 Ų | 113 | 156.3 Ų | 156.3 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | cis | 83.8 | 106.6 | 35.9 | -165.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 431 | R | 34.4 | Very low | 34.2 | Very low | 247 Ų | 247 | 158.3 Ų | 158.3 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | trans | -162.6 | 140.2 | 150.3 | -111.1 | 172.4 | -174.5 | -171 | 1.6 | 111 | ||||
| 432 | V | 36.7 | Very low | 34.2 | Very low | 136 Ų | 136 | 155.5 Ų | 155.5 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -142.7 | 146 | -177.6 | 173.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 433 | P | 37.8 | Very low | 34.2 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -123.6 | 133 | 158.5 | 34.9 | -21.8 | 0 | 0 | 0 | 114.3 | ||||
| 434 | R | 35.2 | Very low | 34.5 | Very low | 237 Ų | 237 | 149.3 Ų | 149.3 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | trans | 28.3 | 142.9 | 134.9 | -73.4 | 177.4 | 171.2 | 94.9 | -0.7 | 119.9 | ||||
| 435 | S | 40.2 | Very low | 34.5 | Very low | 102 Ų | 102 | 150.5 Ų | 150.5 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | cis | -175.4 | 177 | 11.6 | 41 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 436 | Q | 41.6 | Very low | 34.3 | Very low | 199 Ų | 199 | 151.2 Ų | 151.2 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | 97.9 | 155.2 | 172.3 | -55.3 | -170.6 | -2.5 | 0 | 0 | 115.6 | ||||
| 437 | G | 37.4 | Very low | 34.3 | Very low | 80 Ų | 80 | 147.3 Ų | 147.3 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -117.1 | -166.2 | -152.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 438 | A | 35.7 | Very low | 34.4 | Very low | 93 Ų | 93 | 147.3 Ų | 147.3 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | cis | -157.6 | 154.2 | 11.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 439 | S | 39.1 | Very low | 34.5 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | 62.2 | 141.5 | 157.1 | -67.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 440 | R | 36.9 | Very low | 34.5 | Very low | 224 Ų | 224 | 142.2 Ų | 142.2 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | cis | -171.4 | 116.4 | -19.5 | -121.8 | 169.6 | 175.3 | 173.9 | -2.3 | 104.7 | ||||
| 441 | E | 31 | Very low | 34.4 | Very low | 176 Ų | 176 | 140.1 Ų | 140.1 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | 65.7 | 117.1 | 60.6 | -73 | -165.7 | -144.9 | 0 | 0 | 116.9 | |||||
| 442 | T | 31.9 | Very low | 34.4 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | -151.9 | 127.5 | 115.3 | 30.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 443 | S | 31.5 | Very low | 34.3 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -119.7 | -162.2 | 172.3 | -54.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 444 | P | 37.7 | Very low | 34.1 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | -135.9 | -150.8 | -112.7 | 40.9 | -18.7 | 0 | 0 | 0 | 114.5 | |||||
| 445 | T | 32.9 | Very low | 34.2 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | 81.4 | 168.1 | 157.9 | 36.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 446 | R | 28 | Very low | 33.7 | Very low | 233 Ų | 233 | 133.6 Ų | 133.6 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -150.3 | 139.9 | -142.4 | 174.8 | -143.6 | -179.7 | -158.6 | 1.8 | 110.1 | ||||
| 447 | S | 31.9 | Very low | 33.4 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 55% | 0.545 | 77% | 0.774 | S | S | . | * | trans | 127.5 | 128.2 | 143.3 | -53.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 448 | T | 30.2 | Very low | 33.3 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | trans | 64 | 140.5 | 149.4 | 50.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 449 | A | 30.1 | Very low | 33.2 | Very low | 90 Ų | 90 | 138.6 Ų | 138.6 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | cis | -143.6 | 157.4 | 10 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 450 | S | 30.3 | Very low | 33 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | 48.1 | 109.7 | 146.1 | -173.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 451 | G | 31.5 | Very low | 32.9 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 171.8 | 111.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 452 | Y | 34 | Very low | 32.8 | Very low | 217 Ų | 217 | 130.8 Ų | 130.8 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | trans | -37.7 | 152.4 | 159.9 | -50.4 | -89 | 0 | 0 | 0 | 113.9 | ||||
| 453 | T | 35.1 | Very low | 32.9 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | cis | -159.7 | 170.7 | 21.2 | -19.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 454 | M | 34.7 | Very low | 32.9 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 83% | 0.828 | 72% | 0.724 | S | S | * | * | trans | -93.3 | -165.7 | 165.6 | -49.3 | -138.6 | -55.7 | 0 | 0 | 109.9 | ||||
| 455 | P | 35.6 | Very low | 32.5 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | cis | -143.9 | 165.8 | -5.2 | 40.5 | -20.5 | 0 | 0 | 0 | 118.9 | ||||
| 456 | S | 31.7 | Very low | 32.2 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 53% | 0.531 | 72% | 0.719 | S | S | . | * | trans | 71.3 | 153.2 | 133 | 65.4 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 457 | Y | 34.4 | Very low | 32.4 | Very low | 199 Ų | 199 | 125.1 Ų | 125.1 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | trans | 71.2 | 153.5 | 156.4 | -54.9 | -46.1 | 0 | 0 | 0 | 117.8 | ||||
| 458 | Q | 35.1 | Very low | 32.3 | Very low | 146 Ų | 146 | 127 Ų | 127 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | cis | -166 | 170.9 | -8.2 | -110.5 | 166.5 | -39.3 | 0 | 0 | 107.3 | ||||
| 459 | H | 33.9 | Very low | 32.2 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 61% | 0.611 | 71% | 0.711 | S | S | * | * | cis | -161.6 | 149.6 | -3.9 | -130.5 | -41.7 | 0 | 0 | 0 | 110 | ||||
| 460 | N | 34.5 | Very low | 32.4 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 67% | 0.674 | 71% | 0.707 | S | S | * | * | trans | 65.8 | 167.2 | 149.7 | -63.2 | -8.6 | 0 | 0 | 0 | 119.1 | ||||
| 461 | N | 34.3 | Very low | 32.4 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 68% | 0.679 | 70% | 0.703 | S | S | * | * | cis | -145.1 | 146 | 7.2 | -133.3 | -3.6 | 0 | 0 | 0 | 110.5 | ||||
| 462 | S | 30 | Very low | 32.6 | Very low | 88 Ų | 88 | 130.4 Ų | 130.4 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | 59 | 141.1 | 103.1 | -69.7 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 463 | F | 33.6 | Very low | 32.6 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 70% | 0.702 | 70% | 0.697 | S | S | * | * | cis | -150.8 | 153.5 | 26.7 | -126.3 | -156.2 | 0 | 0 | 0 | 109.7 | ||||
| 464 | Q | 31.7 | Very low | 32.5 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 62% | 0.617 | 69% | 0.692 | S | S | * | * | 57.4 | 148.2 | 93.1 | -60 | -166.4 | 8.3 | 0 | 0 | 116.8 | |||||
| 465 | L | 28.4 | Very low | 32.5 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 69% | 0.691 | 68% | 0.684 | S | S | * | * | cis | -165.3 | 168 | -11.1 | -107.7 | 173.7 | 0 | 0 | 0 | 109.6 | ||||
| 466 | T | 27.2 | Very low | 32.5 | Very low | 127 Ų | 127 | 131 Ų | 131 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | trans | 42.9 | 135.4 | 151.8 | 52.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 467 | G | 32.9 | Very low | 32.5 | Very low | 64 Ų | 64 | 136.4 Ų | 136.4 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | trans | 161.2 | 79.2 | 160 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 468 | T | 29 | Very low | 32.6 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 72% | 0.724 | 70% | 0.695 | S | S | * | * | 56.6 | 129.8 | 85.8 | 69.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 469 | N | 29.1 | Very low | 32.7 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 73% | 0.733 | 69% | 0.693 | S | S | * | * | trans | 70.5 | 153.8 | 155.7 | -64.4 | -19.5 | 0 | 0 | 0 | 116.6 | ||||
| 470 | Q | 33 | Very low | 32.6 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 66% | 0.664 | 70% | 0.703 | S | S | * | * | cis | -161.5 | 155.8 | -3.5 | -119 | 166 | 50.5 | 0 | 0 | 110.7 | ||||
| 471 | I | 30.8 | Very low | 32.5 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | trans | 63.7 | 139.8 | 147.2 | -63.3 | 161.9 | 0 | 0 | 0 | 120.3 | ||||
| 472 | G | 35.9 | Very low | 32.3 | Very low | 65 Ų | 65 | 139.9 Ų | 139.9 | 67% | 0.67 | 71% | 0.707 | S | S | * | * | trans | 128 | 60.3 | 166 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 473 | Q | 33.5 | Very low | 32.3 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 77% | 0.771 | 72% | 0.718 | S | S | * | * | 75.2 | 149.3 | 87.9 | -68.5 | -159.1 | 19.6 | 0 | 0 | 116.7 | |||||
| 474 | M | 33.6 | Very low | 32.4 | Very low | 148 Ų | 148 | 143.7 Ų | 143.7 | 73% | 0.729 | 72% | 0.716 | S | S | * | * | trans | 73.6 | 93.9 | 172.7 | -58.7 | -62.1 | -171.5 | 0 | 0 | 119.5 | ||||
| 475 | N | 34.9 | Very low | 32.3 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 65% | 0.652 | 72% | 0.724 | S | S | * | * | 45.7 | 133 | 122.2 | -53 | -33.1 | 0 | 0 | 0 | 120.5 | |||||
| 476 | Y | 34.6 | Very low | 32.8 | Very low | 199 Ų | 199 | 145.3 Ų | 145.3 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | cis | -142.4 | 154.2 | 24.9 | -96.8 | -77.2 | 0 | 0 | 0 | 114.9 | ||||
| 477 | R | 33 | Very low | 33.2 | Very low | 189 Ų | 189 | 141.9 Ų | 141.9 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | trans | 1.5 | 143.5 | 154.7 | -75.5 | 178 | 148.9 | 127.2 | -9 | 120.4 | ||||
| 478 | R | 35.3 | Very low | 33.2 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | cis | -171.3 | 149.8 | -13.1 | -122.6 | 177.8 | -163.6 | -165.4 | 5.3 | 110.4 | ||||
| 479 | Q | 37.4 | Very low | 33.5 | Very low | 139 Ų | 139 | 147 Ų | 147 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | trans | 34 | 120.5 | 144 | -70.9 | 154.5 | -21.9 | 0 | 0 | 118.8 | ||||
| 480 | Q | 31.3 | Very low | 33.6 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | cis | 51.9 | 115.2 | 27.4 | -73.3 | -167 | 12.9 | 0 | 0 | 116.8 | ||||
| 481 | Q | 33.6 | Very low | 33.6 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | -178.8 | 122.6 | 124.6 | -95.9 | 158.7 | 18.2 | 0 | 0 | 110.8 | |||||
| 482 | Q | 30.6 | Very low | 33.6 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | 75 | 108.4 | 95.3 | -69 | -173.3 | 40.1 | 0 | 0 | 114.4 | |||||
| 483 | R | 29.4 | Very low | 33.6 | Very low | 227 Ų | 227 | 144.9 Ų | 144.9 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | 93.5 | 165.2 | 83.2 | -89.8 | -170 | 162.7 | -159.4 | -3.4 | 112.9 | |||||
| 484 | P | 34.7 | Very low | 33.5 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | cis | -142.5 | 163.8 | -43.5 | 41.5 | -24.2 | 0 | 0 | 0 | 116.8 | ||||
| 485 | S | 30.7 | Very low | 33.7 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | trans | 43.7 | 124 | 144.3 | 62.6 | 0 | 0 | 0 | 0 | 125 | ||||
| 486 | L | 37.8 | Very low | 33.7 | Very low | 186 Ų | 186 | 141.8 Ų | 141.8 | 97% | 0.974 | 76% | 0.755 | S | S | * | * | trans | -153.1 | 172.8 | 156.6 | -95.5 | 175.2 | 0 | 0 | 0 | 109.9 | ||||
| 487 | G | 35.6 | Very low | 33.7 | Very low | 55 Ų | 55 | 140.4 Ų | 140.4 | 57% | 0.567 | 76% | 0.76 | S | S | * | * | cis | -171.3 | -19.1 | 2.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 488 | T | 34.1 | Very low | 33.8 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | 65.8 | 136.5 | 172.8 | 40.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 489 | L | 34.6 | Very low | 34 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | 77.2 | 137.1 | 140.9 | -72.9 | 168 | 0 | 0 | 0 | 125.2 | ||||
| 490 | S | 31.6 | Very low | 33.8 | Very low | 84 Ų | 84 | 131 Ų | 131 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | trans | 72.6 | 111.6 | 137.2 | -76.3 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 491 | D | 31.7 | Very low | 34 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | 75.5 | 148.3 | 115.7 | -60.1 | -51.9 | 0 | 0 | 0 | 125.2 | |||||
| 492 | C | 31.8 | Very low | 34.1 | Very low | 124 Ų | 124 | 130 Ų | 130 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | 84.9 | 148.8 | 155.7 | 89.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 493 | A | 34.9 | Very low | 34.2 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | 56 | 131.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 494 | D | 32.9 | Very low | 34.2 | Very low | 139 Ų | 139 | 128.4 Ų | 128.4 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | cis | 100.5 | 134.9 | 17.4 | -162.3 | 30 | 0 | 0 | 0 | 115.6 | ||||
| 495 | L | 37.3 | Very low | 34.2 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | 59.5 | 158.5 | -176.8 | -46 | -178.8 | 0 | 0 | 0 | 116.2 | ||||
| 496 | G | 34.8 | Very low | 34.3 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | cis | 172.8 | 131.5 | -12.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 497 | D | 34.3 | Very low | 34.2 | Very low | 169 Ų | 169 | 130.1 Ų | 130.1 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | trans | 63.7 | 169.7 | 163.6 | -135.2 | -19.4 | 0 | 0 | 0 | 121.8 | ||||
| 498 | G | 35.4 | Very low | 34.2 | Very low | 63 Ų | 63 | 131.1 Ų | 131.1 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | trans | -112.7 | -129 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 499 | P | 39.6 | Very low | 34.5 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | cis | -146.4 | -167.6 | -7.8 | 30.4 | -3.6 | 0 | 0 | 0 | 116.2 | ||||
| 500 | L | 34 | Very low | 34.5 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | 88.9 | 126.7 | 152.2 | -54.4 | -171.8 | 0 | 0 | 0 | 125.6 | ||||
| 501 | Y | 34.8 | Very low | 34.7 | Very low | 228 Ų | 228 | 138.3 Ų | 138.3 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | trans | 44.6 | 138.5 | 142.2 | -71.4 | -67.8 | 0 | 0 | 0 | 125.7 | ||||
| 502 | G | 35.8 | Very low | 34.9 | Very low | 79 Ų | 79 | 135 Ų | 135 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | trans | 166.1 | 77.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 503 | R | 31.9 | Very low | 35.6 | Very low | 211 Ų | 211 | 134.5 Ų | 134.5 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | 3.2 | 134.1 | 159.9 | -86 | 179.4 | 163.2 | -148 | -2.9 | 123.7 | ||||
| 504 | H | 30.8 | Very low | 35.8 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 63% | 0.634 | 78% | 0.779 | S | S | * | * | 96.6 | 133.3 | 124.9 | -76.8 | -28.2 | 0 | 0 | 0 | 126 | |||||
| 505 | Y | 33 | Very low | 36 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 60.7 | 84.5 | 147.2 | -55.3 | -51.1 | 0 | 0 | 0 | 125 | ||||
| 506 | S | 33.6 | Very low | 36.2 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | 54.3 | 138.1 | 111.5 | -159.6 | 0 | 0 | 0 | 0 | 125 | |||||
| 507 | T | 34.9 | Very low | 36.6 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | 104.6 | 127 | 144 | -31.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 508 | G | 36.2 | Very low | 37.1 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 173.9 | 17.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 509 | N | 39.8 | Very low | 37.6 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | 41.8 | 122.8 | 156.5 | -96.8 | -1.1 | 0 | 0 | 0 | 125.2 | ||||
| 510 | N | 35.6 | Very low | 37.5 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | 65 | 111.4 | 125.8 | -72.6 | -27.2 | 0 | 0 | 0 | 124.7 | |||||
| 511 | R | 36.4 | Very low | 38 | Very low | 250 Ų | 250 | 145.1 Ų | 145.1 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | 166.7 | 152 | 108.3 | -89.2 | 170.3 | -168 | -166.3 | 3.7 | 113.6 | |||||
| 512 | G | 34.9 | Very low | 38 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -133.4 | -148.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 513 | P | 46.4 | Very low | 37.9 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | cis | -132.7 | -171.8 | -12.3 | 42.7 | -26.1 | 0 | 0 | 0 | 113.3 | ||||
| 514 | Y | 39.9 | Very low | 38.2 | Very low | 223 Ų | 223 | 141.5 Ų | 141.5 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | 155.2 | 130.5 | 134.3 | -99.3 | -77.6 | 0 | 0 | 0 | 115.2 | ||||
| 515 | G | 37.5 | Very low | 38.5 | Very low | 77 Ų | 77 | 140.4 Ų | 140.4 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | 68.8 | 151.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 516 | S | 40.2 | Very low | 38.4 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | cis | -156 | 175 | -18.8 | 59.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 517 | D | 44 | Very low | 38.3 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -49.5 | 145.1 | -177.7 | -53.9 | -82.6 | 0 | 0 | 0 | 115.2 | ||||
| 518 | D | 44.4 | Very low | 38.5 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | -172.6 | 167.4 | 86.5 | -136.4 | -29.8 | 0 | 0 | 0 | 115.4 | |||||
| 519 | N | 45.2 | Very low | 38.5 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 78.3 | 107.8 | 157.1 | -142.4 | 10 | 0 | 0 | 0 | 120.9 | ||||
| 520 | F | 39 | Very low | 38.5 | Very low | 193 Ų | 193 | 147.2 Ų | 147.2 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -74.9 | 151.9 | 168.6 | -79.9 | -117.8 | 0 | 0 | 0 | 112.8 | ||||
| 521 | S | 43.3 | Very low | 38.7 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | 167.1 | 102.3 | 108.9 | -73.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 522 | E | 35.4 | Very low | 38.7 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -84.5 | 121.4 | 169.6 | -61.8 | 171.1 | 115.3 | 0 | 0 | 110.6 | ||||
| 523 | T | 33.1 | Very low | 38.6 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -140.6 | 55.1 | 173 | 48.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 524 | S | 37.9 | Very low | 38.2 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -128.4 | 97 | 167.9 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 525 | S | 37.8 | Very low | 38.3 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | 45 | 114.4 | 130.5 | -51.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 526 | Q | 31.5 | Very low | 38.3 | Very low | 191 Ų | 191 | 142.9 Ų | 142.9 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | -160.7 | 139.4 | 112 | -111.8 | 169.4 | -7.4 | 0 | 0 | 112.6 | |||||
| 527 | C | 30.7 | Very low | 38 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | trans | -98.3 | 125.3 | 160.9 | -55.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 528 | S | 39.9 | Very low | 37.6 | Very low | 90 Ų | 90 | 142.1 Ų | 142.1 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | -163.7 | 165.5 | 164.2 | -156.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 529 | E | 35.6 | Very low | 37.1 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | 54.1 | 102 | 159.8 | -71.8 | 135 | -113.8 | 0 | 0 | 119.3 | ||||
| 530 | R | 39.3 | Very low | 36.5 | Very low | 244 Ų | 244 | 145.3 Ų | 145.3 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -141.7 | 49.9 | 147.3 | -144.7 | 171.7 | -164.3 | -104.9 | 1.3 | 115.3 | ||||
| 531 | S | 40.4 | Very low | 36.1 | Very low | 88 Ų | 88 | 143.2 Ų | 143.2 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | trans | -92.2 | 145 | 162.5 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | A281 | A281-S531 WeakPolarHBondContact CB-OG 3.35Š| ||
| 532 | G | 36.1 | Very low | 35.5 | Very low | 76 Ų | 76 | 143.7 Ų | 143.7 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | 61 | 85.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 533 | R | 34 | Very low | 35.4 | Very low | 235 Ų | 235 | 138.9 Ų | 138.9 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | 0.3 | 126.1 | 147.7 | -58.6 | 171.7 | 173.6 | -167 | -2.6 | 118.5 | ||||
| 534 | S | 37.6 | Very low | 35.9 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | 178.4 | 72.6 | 121.9 | -77 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 535 | V | 41.4 | Very low | 36.2 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | 20.7 | 137.8 | 124.2 | -168 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 536 | P | 37.5 | Very low | 37 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | cis | -139.3 | 170.3 | -28.7 | 40.7 | -23 | 0 | 0 | 0 | 115.1 | ||||
| 537 | G | 34.3 | Very low | 38.5 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | trans | -166.7 | 96.1 | 172 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 538 | Y | 36.2 | Very low | 40.3 | Very low | 179 Ų | 179 | 127.7 Ų | 127.7 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | trans | 39.2 | 82.6 | 160.2 | -67.3 | -84 | 0 | 0 | 0 | 120.9 | ||||
| 539 | R | 32.5 | Very low | 42.4 | Very low | 189 Ų | 189 | 127.3 Ų | 127.3 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | 56.6 | 93.3 | 115.2 | -168.2 | -163.5 | -83.9 | -155.7 | 0.6 | 117.5 | Q541 | R539-Q541 HydrophobicContact CG-CG 3.81Š| |||
| 540 | R | 33.8 | Very low | 45 | Very low | 186 Ų | 186 | 119.7 Ų | 119.7 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | -109.5 | 127.5 | 126.3 | -84.1 | -164.5 | 172.5 | -140.1 | -0.6 | 109.9 | Y302 S542 | Y302-R540 VanDerWaalsContact CZ-NH2 3.33Å; Y302-R540 VanDerWaalsContact OH-CZ 3.32Å; Y302-R540 PolarHBondContact OH-NH1 3.14Å; Y302-R540 PolarHBondContact OH-NH2 3.15Å; R540-S542 PolarHBondContact O-N 3.15Å | |||
| 541 | Q | 29.8 | Very low | 47.4 | Very low | 150 Ų | 150 | 115.9 Ų | 115.9 | 70% | 0.701 | 64% | 0.635 | S | S | * | * | trans | -90.4 | 81.4 | -176.2 | -75.2 | 164 | -91 | 0 | 0 | 110.9 | R539 | R539-Q541 HydrophobicContact CG-CG 3.81Š| ||
| 542 | S | 31.1 | Very low | 49.8 | Very low | 116 Ų | 116 | 115.2 Ų | 115.2 | 81% | 0.811 | 62% | 0.622 | S | S | * | * | trans | -121.6 | 29.8 | 144.9 | 71.8 | 0 | 0 | 0 | 0 | 110.8 | R540 S544 | R540-S542 PolarHBondContact O-N 3.15Å; S542-S544 PolarHBondContact O-N 2.67Å | ||
| 543 | S | 33.3 | Very low | 52.5 | Low | 97 Ų | 97 | 111.6 Ų | 111.6 | 68% | 0.678 | 59% | 0.585 | S | S | * | * | trans | -60.7 | 97.9 | 144.7 | 169.2 | 0 | 0 | 0 | 0 | 105.7 | K545 | S543-K545 PolarHBondContact O-N 3.42Å; S543-K545 VanDerWaalsContact O-N 3.08Å | ||
| 544 | S | 43.4 | Very low | 55.4 | Low | 54 Ų | 54 | 101.5 Ų | 101.5 | 38% | 0.378 | 55% | 0.548 | S | S | . | . | trans | -52.6 | 115.8 | 149.1 | -179 | 0 | 0 | 0 | 0 | 105 | S542 V546 | S542-S544 PolarHBondContact O-N 2.67Å; S544-V546 PolarHBondContact O-N 3.44Å; S544-V546 VanDerWaalsContact O-N 3.12Å | ||
| 545 | K | 45 | Very low | 58.1 | Low | 161 Ų | 161 | 99.5 Ų | 99.5 | 70% | 0.7 | 53% | 0.534 | S | S | * | . | trans | -62.5 | 114.8 | 161.4 | -72.6 | 179.2 | 177 | 179.2 | 0 | 104 | S543 T547 | S543-K545 PolarHBondContact O-N 3.42Å; S543-K545 VanDerWaalsContact O-N 3.08Å; K545-T547 PolarHBondContact O-N 3.06Å | ||
| 546 | V | 54.4 | Low | 60.6 | Low | 95 Ų | 95 | 94.8 Ų | 94.8 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | trans | -65.6 | 89.1 | 167.6 | -179.5 | 0 | 0 | 0 | 0 | 105.6 | S544 S548 N574 | S544-V546 PolarHBondContact O-N 3.44Å; S544-V546 VanDerWaalsContact O-N 3.12Å; V546-S548 PolarHBondContact O-N 3.19Å; V546-N574 HydrophobicContact CG1-CB 3.88Å | ||
| 547 | T | 62.4 | Low | 63.3 | Low | 16 Ų | 16 | 89.1 Ų | 89.1 | 10% | 0.098 | 47% | 0.466 | C | S | . | . | trans | -80.3 | 119.3 | -171.5 | -174.1 | 0 | 0 | 0 | 0 | 107.9 | K545 N549 E552 I553 N571 | K545-T547 PolarHBondContact O-N 3.06Å; T547-N549 PolarHBondContact O-N 3.48Å; T547-N549 WeakPolarHBondContact OG1-CB 3.23Å; T547-N549 PolarHBondContact OG1-N 2.9Å; T547-E552 VanDerWaalsContact CB-OE2 3.26Å; T547-E552 WeakPolarHBondContact CB-OE2 3.44Å; T547-E552 HydrophobicContact CG2-CB 4.1Å; T547-E552 HydrophobicContact CG2-CG 4.17Å; T547-E552 PolarHBondContact OG1-OE2 3.31Å; T547-I553 HydrophobicContact CG2-CG1 3.86Å; T547-N571 HydrophobicContact CG2-CB 4.34Å | ||
| 548 | S | 67.6 | Low | 66.1 | Low | 88 Ų | 88 | 91.5 Ų | 91.5 | 62% | 0.615 | 46% | 0.459 | S | S | * | . | trans | -77.8 | 1 | 168.7 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | V546 L550 Y575 | V546-S548 PolarHBondContact O-N 3.19Å; S548-L550 PolarHBondContact O-N 3.39Å; S548-Y575 WeakPolarHBondContact O-CE2 3.4Å | ||
| 549 | N | 85 | Confident | 68.8 | Low | 83 Ų | 83 | 84 Ų | 84 | 44% | 0.444 | 43% | 0.434 | S | S | . | . | trans | -84.2 | 97.6 | 176.1 | -175.1 | -1.4 | 0 | 0 | 0 | 110.8 | T547 K551 E552 I553 | T547-N549 PolarHBondContact O-N 3.48Å; T547-N549 WeakPolarHBondContact OG1-CB 3.23Å; T547-N549 PolarHBondContact OG1-N 2.9Å; N549-K551 PolarHBondContact O-N 3.02Å; N549-K551 VanDerWaalsContact O-N 3.09Å; N549-K551 WeakPolarHBondContact OD1-CB 3.47Å; N549-K551 PolarHBondContact OD1-N 3.36Å; N549-K551 VanDerWaalsContact OD1-N 3.14Å; N549-E552 HydrophobicContact CB-CB 4.09Å; N549-E552 WeakPolarHBondContact O-CA 3.04Å; N549-E552 WeakPolarHBondContact O-CB 3.34Å; N549-E552 PolarHBondContact O-N 3.16Å; N549-I553 PolarHBondContact O-N 2.74Å; N549-I553 VanDerWaalsContact O-N 3.11Å | ||
| 550 | L | 88.9 | Confident | 71.6 | Confident | 13 Ų | 13 | 81.7 Ų | 81.7 | 7% | 0.068 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -53.8 | -29.5 | 178.6 | -173.4 | 57.8 | 0 | 0 | 0 | 114 | S548 I553 I554 L572 Y575 L582 D586 | S548-L550 PolarHBondContact O-N 3.39Å; L550-I553 HydrophobicContact CD1-CD1 4.46Å; L550-I553 WeakPolarHBondContact O-CB 3.43Å; L550-I553 PolarHBondContact O-N 3.19Å; L550-I554 HydrophobicContact CG-CD1 4.15Å; L550-I554 WeakPolarHBondContact O-CB 3.47Å; L550-I554 WeakPolarHBondContact O-CG1 3.42Å; L550-I554 PolarHBondContact O-N 2.83Å; L550-L572 HydrophobicContact CD1-CD1 4.18Å; L550-Y575 HydrophobicContact CB-CE2 4.1Å; L550-Y575 HydrophobicContact CD2-CE1 4.4Å; L550-L582 HydrophobicContact CD1-CD2 3.74Å; L550-L582 HydrophobicContact CD2-CD2 3.46Å; L550-L582 VanDerWaalsContact CD2-CD2 3.46Å; L550-L582 HydrophobicContact CG-CD2 4.26Å; L550-D586 HydrophobicContact CD2-CB 3.74Å |
| 551 | K | 90.9 | Very high | 74.4 | Confident | 163 Ų | 163 | 78.2 Ų | 78.2 | 71% | 0.709 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -70.6 | -33.4 | 175.1 | -61.5 | -174.8 | 177.7 | -177 | 0 | 112.6 | N549 S555 | N549-K551 PolarHBondContact O-N 3.02Å; N549-K551 VanDerWaalsContact O-N 3.09Å; N549-K551 WeakPolarHBondContact OD1-CB 3.47Å; N549-K551 PolarHBondContact OD1-N 3.36Å; N549-K551 VanDerWaalsContact OD1-N 3.14Å; K551-S555 WeakPolarHBondContact O-CB 3.32Å; K551-S555 PolarHBondContact O-N 3.05Å |
| 552 | E | 91.2 | Very high | 77.4 | Confident | 75 Ų | 75 | 75.1 Ų | 75.1 | 35% | 0.35 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70.3 | -41.4 | 172.5 | -165.8 | -173.9 | 166.9 | 0 | 0 | 110.5 | T547 N549 S555 Q556 | T547-E552 VanDerWaalsContact CB-OE2 3.26Å; T547-E552 WeakPolarHBondContact CB-OE2 3.44Å; T547-E552 HydrophobicContact CG2-CB 4.1Å; T547-E552 HydrophobicContact CG2-CG 4.17Å; T547-E552 PolarHBondContact OG1-OE2 3.31Å; N549-E552 HydrophobicContact CB-CB 4.09Å; N549-E552 WeakPolarHBondContact O-CA 3.04Å; N549-E552 WeakPolarHBondContact O-CB 3.34Å; N549-E552 PolarHBondContact O-N 3.16Å; E552-S555 PolarHBondContact O-N 2.87Å; E552-Q556 WeakPolarHBondContact O-CB 3.23Å; E552-Q556 VanDerWaalsContact O-CG 3.28Å; E552-Q556 WeakPolarHBondContact O-CG 3.48Å; E552-Q556 PolarHBondContact O-N 2.88Å; E552-Q556 PolarHBondContact OE1-NE2 2.57Å |
| 553 | I | 92.9 | Very high | 80.3 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 173.3 | -60.9 | 178.9 | 0 | 0 | 0 | 110.9 | T547 N549 L550 S555 Q556 L557 G568 N571 L572 Y575 | T547-I553 HydrophobicContact CG2-CG1 3.86Å; N549-I553 PolarHBondContact O-N 2.74Å; N549-I553 VanDerWaalsContact O-N 3.11Å; L550-I553 HydrophobicContact CD1-CD1 4.46Å; L550-I553 WeakPolarHBondContact O-CB 3.43Å; L550-I553 PolarHBondContact O-N 3.19Å; I553-S555 VanDerWaalsContact C-N 3.32Å; I553-S555 PolarHBondContact O-N 3.27Å; I553-Q556 WeakPolarHBondContact O-CB 3.31Å; I553-Q556 PolarHBondContact O-N 2.85Å; I553-L557 HydrophobicContact CG2-CD1 3.9Å; I553-L557 HydrophobicContact CG2-CG 4.42Å; I553-L557 VanDerWaalsContact O-CG 3.26Å; I553-L557 WeakPolarHBondContact O-CG 3.36Å; I553-L557 PolarHBondContact O-N 2.78Å; I553-G568 WeakPolarHBondContact CG2-O 3.26Å; I553-N571 HydrophobicContact CD1-CB 4.14Å; I553-N571 HydrophobicContact CG1-CB 3.92Å; I553-L572 HydrophobicContact CG2-CB 3.68Å; I553-L572 HydrophobicContact CG2-CD1 4.18Å; I553-L572 HydrophobicContact CG2-CG 4.43Å; I553-Y575 HydrophobicContact CD1-CD2 4.08Å; I553-Y575 HydrophobicContact CD1-CG 4.19Å |
| 554 | I | 94 | Very high | 83.3 | Confident | 22 Ų | 22 | 70 Ų | 70 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 177.1 | -78.8 | 166 | 0 | 0 | 0 | 111.1 | L550 L557 Q558 C589 L590 I593 | L550-I554 HydrophobicContact CG-CD1 4.15Å; L550-I554 WeakPolarHBondContact O-CB 3.47Å; L550-I554 WeakPolarHBondContact O-CG1 3.42Å; L550-I554 PolarHBondContact O-N 2.83Å; I554-L557 PolarHBondContact O-N 3.12Å; I554-Q558 WeakPolarHBondContact O-CG 3.41Å; I554-Q558 PolarHBondContact O-N 3.34Å; I554-Q558 VanDerWaalsContact O-N 3.11Å; I554-C589 HydrophobicContact CD1-CB 4.48Å; I554-L590 HydrophobicContact CG1-CD2 4.31Å; I554-I593 HydrophobicContact CB-CD1 4.36Å; I554-I593 HydrophobicContact CG1-CD1 4.17Å; I554-I593 HydrophobicContact CG2-CD1 3.92Å |
| 555 | S | 93.9 | Very high | 85.7 | Confident | 78 Ų | 78 | 69.1 Ų | 69.1 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 175.7 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | K551 E552 I553 L557 Q558 A559 | K551-S555 WeakPolarHBondContact O-CB 3.32Å; K551-S555 PolarHBondContact O-N 3.05Å; E552-S555 PolarHBondContact O-N 2.87Å; I553-S555 VanDerWaalsContact C-N 3.32Å; I553-S555 PolarHBondContact O-N 3.27Å; S555-L557 VanDerWaalsContact C-N 3.34Å; S555-L557 PolarHBondContact O-N 3.27Å; S555-Q558 PolarHBondContact O-N 3.47Å; S555-Q558 VanDerWaalsContact O-N 3.17Å; S555-A559 PolarHBondContact O-N 2.8Å; S555-A559 VanDerWaalsContact O-N 3.09Å |
| 556 | Q | 93.5 | Very high | 88.1 | Confident | 35 Ų | 35 | 65 Ų | 65 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 175.1 | -74.2 | 170.5 | 8 | 0 | 0 | 111.7 | E552 I553 Q558 A559 D564 R565 N571 | E552-Q556 WeakPolarHBondContact O-CB 3.23Å; E552-Q556 VanDerWaalsContact O-CG 3.28Å; E552-Q556 WeakPolarHBondContact O-CG 3.48Å; E552-Q556 PolarHBondContact O-N 2.88Å; E552-Q556 PolarHBondContact OE1-NE2 2.57Å; I553-Q556 WeakPolarHBondContact O-CB 3.31Å; I553-Q556 PolarHBondContact O-N 2.85Å; Q556-Q558 VanDerWaalsContact C-N 3.31Å; Q556-Q558 PolarHBondContact O-N 2.93Å; Q556-A559 WeakPolarHBondContact O-CB 3.47Å; Q556-A559 PolarHBondContact O-N 2.8Å; Q556-D564 CarbonylContact O-C 3.58Å; Q556-D564 VanDerWaalsContact O-C 3.27Å; Q556-R565 WeakPolarHBondContact O-CA 3.32Å; Q556-R565 PolarHBondContact O-N 3.06Å; Q556-N571 PolarHBondContact OE1-ND2 3.42Å |
| 557 | L | 95 | Very high | 90 | Very high | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68 | -26.1 | 176.9 | -68.7 | 167 | 0 | 0 | 0 | 114 | I553 I554 S555 R565 L569 L572 L590 I593 M597 | I553-L557 HydrophobicContact CG2-CD1 3.9Å; I553-L557 HydrophobicContact CG2-CG 4.42Å; I553-L557 VanDerWaalsContact O-CG 3.26Å; I553-L557 WeakPolarHBondContact O-CG 3.36Å; I553-L557 PolarHBondContact O-N 2.78Å; I554-L557 PolarHBondContact O-N 3.12Å; S555-L557 VanDerWaalsContact C-N 3.34Å; S555-L557 PolarHBondContact O-N 3.27Å; L557-R565 VanDerWaalsContact O-CD 3.25Å; L557-R565 WeakPolarHBondContact O-CD 3.44Å; L557-R565 WeakPolarHBondContact O-CG 3.33Å; L557-L569 HydrophobicContact CD2-CB 4.23Å; L557-L569 HydrophobicContact CD2-CD2 3.69Å; L557-L569 HydrophobicContact CD2-CG 3.58Å; L557-L572 HydrophobicContact CD1-CD2 3.96Å; L557-L590 HydrophobicContact CD1-CD2 3.72Å; L557-I593 HydrophobicContact CB-CG2 3.7Å; L557-I593 HydrophobicContact CD1-CG2 4.43Å; L557-M597 HydrophobicContact CD2-CE 4.13Å; L557-M597 HydrophobicContact CD2-SD 3.97Å |
| 558 | Q | 93.9 | Very high | 91.5 | Very high | 118 Ų | 118 | 62.1 Ų | 62.1 | 55% | 0.551 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -89.7 | -8.5 | 176.5 | -69.8 | 179.5 | 4.5 | 0 | 0 | 113.5 | I554 S555 Q556 I593 | I554-Q558 WeakPolarHBondContact O-CG 3.41Å; I554-Q558 PolarHBondContact O-N 3.34Å; I554-Q558 VanDerWaalsContact O-N 3.11Å; S555-Q558 PolarHBondContact O-N 3.47Å; S555-Q558 VanDerWaalsContact O-N 3.17Å; Q556-Q558 VanDerWaalsContact C-N 3.31Å; Q556-Q558 PolarHBondContact O-N 2.93Å; Q558-I593 HydrophobicContact CG-CD1 4.01Å; Q558-I593 HydrophobicContact CG-CG1 3.86Å |
| 559 | A | 92.7 | Very high | 92.8 | Very high | 23 Ų | 23 | 58 Ų | 58 | 19% | 0.19 | 30% | 0.296 | C | S | . | . | trans | -63.9 | 146.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S555 Q556 Q561 D564 R565 | S555-A559 PolarHBondContact O-N 2.8Å; S555-A559 VanDerWaalsContact O-N 3.09Å; Q556-A559 WeakPolarHBondContact O-CB 3.47Å; Q556-A559 PolarHBondContact O-N 2.8Å; A559-Q561 VanDerWaalsContact C-N 3.29Å; A559-Q561 PolarHBondContact O-N 2.77Å; A559-D564 HydrophobicContact CB-CB 3.58Å; A559-R565 WeakPolarHBondContact O-CD 3.11Å; A559-R565 VanDerWaalsContact O-CG 3.23Å; A559-R565 WeakPolarHBondContact O-CG 3.45Å; A559-R565 PolarHBondContact O-NH1 3.34Å | ||
| 560 | V | 91.6 | Very high | 93.2 | Very high | 140 Ų | 140 | 56.2 Ų | 56.2 | 85% | 0.848 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -67.9 | -30.9 | 177.8 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | R565 | V560-R565 PolarHBondContact O-NH1 3.42Š|
| 561 | Q | 91.9 | Very high | 93.4 | Very high | 113 Ų | 113 | 55.7 Ų | 55.7 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -74.7 | 136.2 | 176.7 | -69 | -64.3 | -2.6 | 0 | 0 | 112.2 | A559 D564 R565 | A559-Q561 VanDerWaalsContact C-N 3.29Å; A559-Q561 PolarHBondContact O-N 2.77Å; Q561-D564 HydrophobicContact CB-CB 4.26Å; Q561-D564 PolarHBondContact O-N 3.25Å; Q561-R565 PolarHBondContact O-N 3.38Å; Q561-R565 PolarHBondContact O-NH1 3.36Å |
| 562 | W | 92.1 | Very high | 93.5 | Very high | 85 Ų | 85 | 47.9 Ų | 47.9 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -77.1 | -25.7 | -176.7 | 72.9 | -93.1 | 0 | 0 | 0 | 112.9 | D564 K566 Q602 K604 V605 | W562-D564 VanDerWaalsContact C-N 3.29Å; W562-K566 HydrophobicContact CZ3-CD 4.2Å; W562-K566 WeakPolarHBondContact O-CB 3.25Å; W562-K566 PolarHBondContact O-N 3.43Å; W562-Q602 HydrophobicContact CB-CB 4Å; W562-Q602 HydrophobicContact CB-CG 3.62Å; W562-Q602 HydrophobicContact CG-CB 4.5Å; W562-Q602 HydrophobicContact CG-CG 4.02Å; W562-K604 HydrophobicContact CH2-CD 3.99Å; W562-K604 HydrophobicContact CZ3-CB 4.27Å; W562-K604 HydrophobicContact CZ3-CD 3.71Å; W562-V605 HydrophobicContact CB-CG2 3.97Å; W562-V605 HydrophobicContact CE3-CG2 4.33Å; W562-V605 WeakPolarHBondContact O-CG2 3.38Å |
| 563 | S | 93.5 | Very high | 93.5 | Very high | 40 Ų | 40 | 45.1 Ų | 45.1 | 28% | 0.28 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -55.8 | -49.4 | 168.3 | 40.6 | 0 | 0 | 0 | 0 | 110.4 | K566 D567 | S563-K566 WeakPolarHBondContact O-CB 3.24Å; S563-K566 PolarHBondContact O-N 2.92Å; S563-D567 WeakPolarHBondContact O-CB 3.35Å; S563-D567 PolarHBondContact O-N 2.78Å |
| 564 | D | 94.9 | Very high | 93.3 | Very high | 65 Ų | 65 | 47.3 Ų | 47.3 | 35% | 0.348 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -70.9 | -40.9 | -171.3 | -53.4 | 13.2 | 0 | 0 | 0 | 109.3 | Q556 A559 Q561 W562 D567 G568 | Q556-D564 CarbonylContact O-C 3.58Å; Q556-D564 VanDerWaalsContact O-C 3.27Å; A559-D564 HydrophobicContact CB-CB 3.58Å; Q561-D564 HydrophobicContact CB-CB 4.26Å; Q561-D564 PolarHBondContact O-N 3.25Å; W562-D564 VanDerWaalsContact C-N 3.29Å; D564-D567 PolarHBondContact O-N 2.93Å; D564-G568 PolarHBondContact O-N 2.97Å |
| 565 | R | 95.2 | Very high | 93.1 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 171.9 | -63.4 | -162.7 | -58.3 | -75.2 | 1.8 | 113.4 | Q556 L557 A559 V560 Q561 L569 M597 D600 V605 | Q556-R565 WeakPolarHBondContact O-CA 3.32Å; Q556-R565 PolarHBondContact O-N 3.06Å; L557-R565 VanDerWaalsContact O-CD 3.25Å; L557-R565 WeakPolarHBondContact O-CD 3.44Å; L557-R565 WeakPolarHBondContact O-CG 3.33Å; A559-R565 WeakPolarHBondContact O-CD 3.11Å; A559-R565 VanDerWaalsContact O-CG 3.23Å; A559-R565 WeakPolarHBondContact O-CG 3.45Å; A559-R565 PolarHBondContact O-NH1 3.34Å; V560-R565 PolarHBondContact O-NH1 3.42Å; Q561-R565 PolarHBondContact O-N 3.38Å; Q561-R565 PolarHBondContact O-NH1 3.36Å; R565-L569 WeakPolarHBondContact O-CB 3.49Å; R565-L569 WeakPolarHBondContact O-CG 3.35Å; R565-L569 PolarHBondContact O-N 2.9Å; R565-M597 HydrophobicContact CB-CE 4.11Å; R565-D600 IonicContact CZ-OD2 3.17Å; R565-D600 IonicContact NE-OD2 3.23Å; R565-D600 PolarHBondContact NE-OD2 2.76Å; R565-D600 VanDerWaalsContact NH2-CG 3.3Å; R565-D600 IonicContact NH2-OD1 3.67Å; R565-D600 PolarHBondContact NH2-OD1 3.3Å; R565-D600 VanDerWaalsContact NH2-OD1 3.12Å; R565-D600 IonicContact NH2-OD2 2.75Å; R565-D600 PolarHBondContact NH2-OD2 3.23Å; R565-V605 HydrophobicContact CB-CG1 3.97Å |
| 566 | K | 94.4 | Very high | 92.9 | Very high | 73 Ų | 73 | 44.5 Ų | 44.5 | 32% | 0.317 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 172.6 | 166.2 | -169.2 | 154.5 | -75.4 | 0 | 110.7 | W562 S563 L569 T570 V605 L608 | W562-K566 HydrophobicContact CZ3-CD 4.2Å; W562-K566 WeakPolarHBondContact O-CB 3.25Å; W562-K566 PolarHBondContact O-N 3.43Å; S563-K566 WeakPolarHBondContact O-CB 3.24Å; S563-K566 PolarHBondContact O-N 2.92Å; K566-L569 PolarHBondContact O-N 3.46Å; K566-T570 PolarHBondContact O-N 3.42Å; K566-T570 PolarHBondContact O-OG1 3.48Å; K566-V605 HydrophobicContact CB-CG2 4.33Å; K566-L608 HydrophobicContact CG-CD2 4.05Å; K566-L608 VanDerWaalsContact O-CD2 3.29Å; K566-L608 WeakPolarHBondContact O-CD2 3.46Å |
| 567 | D | 93.6 | Very high | 92.6 | Very high | 52 Ų | 52 | 49.4 Ų | 49.4 | 28% | 0.278 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -73.7 | -35.3 | -176.5 | -69.4 | -9.4 | 0 | 0 | 0 | 110.9 | S563 D564 T570 N571 | S563-D567 WeakPolarHBondContact O-CB 3.35Å; S563-D567 PolarHBondContact O-N 2.78Å; D564-D567 PolarHBondContact O-N 2.93Å; D567-T570 WeakPolarHBondContact O-CB 3.23Å; D567-T570 PolarHBondContact O-N 3.17Å; D567-N571 WeakPolarHBondContact O-CB 3.49Å; D567-N571 VanDerWaalsContact O-CG 3.23Å; D567-N571 PolarHBondContact O-N 3.43Å; D567-N571 PolarHBondContact O-ND2 3.22Å |
| 568 | G | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 167 | 0 | 0 | 0 | 0 | 0 | 112.9 | I553 D564 T570 N571 L572 | I553-G568 WeakPolarHBondContact CG2-O 3.26Å; D564-G568 PolarHBondContact O-N 2.97Å; G568-T570 VanDerWaalsContact C-N 3.32Å; G568-T570 PolarHBondContact O-N 3.44Å; G568-N571 PolarHBondContact O-N 2.8Å; G568-L572 WeakPolarHBondContact O-CB 3.34Å; G568-L572 PolarHBondContact O-N 3.26Å |
| 569 | L | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 173.6 | -76.5 | 169.5 | 0 | 0 | 0 | 112 | L557 R565 K566 L572 Q573 F594 M597 V605 L608 F609 T612 | L557-L569 HydrophobicContact CD2-CB 4.23Å; L557-L569 HydrophobicContact CD2-CD2 3.69Å; L557-L569 HydrophobicContact CD2-CG 3.58Å; R565-L569 WeakPolarHBondContact O-CB 3.49Å; R565-L569 WeakPolarHBondContact O-CG 3.35Å; R565-L569 PolarHBondContact O-N 2.9Å; K566-L569 PolarHBondContact O-N 3.46Å; L569-L572 PolarHBondContact O-N 3.29Å; L569-Q573 WeakPolarHBondContact O-CG 3.46Å; L569-Q573 PolarHBondContact O-N 3.09Å; L569-F594 HydrophobicContact CD2-CE1 4.24Å; L569-M597 HydrophobicContact CD1-CE 3.68Å; L569-M597 HydrophobicContact CD2-CE 4.02Å; L569-M597 HydrophobicContact CD2-SD 4.03Å; L569-M597 HydrophobicContact CG-CE 3.81Å; L569-M597 HydrophobicContact CG-SD 4.45Å; L569-V605 HydrophobicContact CD1-CG1 3.71Å; L569-V605 WeakPolarHBondContact CD1-O 3.15Å; L569-L608 HydrophobicContact CB-CD2 3.59Å; L569-L608 HydrophobicContact CB-CG 3.87Å; L569-L608 HydrophobicContact CD1-CB 4.14Å; L569-L608 HydrophobicContact CD1-CD2 4.22Å; L569-L608 HydrophobicContact CD1-CG 4.15Å; L569-F609 HydrophobicContact CD1-CB 3.89Å; L569-F609 HydrophobicContact CD2-CB 4.34Å; L569-F609 HydrophobicContact CD2-CD2 4.29Å; L569-T612 HydrophobicContact CD2-CG2 4.09Å |
| 570 | T | 93.1 | Very high | 90.4 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 28% | 0.282 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 178 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | K566 D567 G568 Q573 N574 L608 | K566-T570 PolarHBondContact O-N 3.42Å; K566-T570 PolarHBondContact O-OG1 3.48Å; D567-T570 WeakPolarHBondContact O-CB 3.23Å; D567-T570 PolarHBondContact O-N 3.17Å; G568-T570 VanDerWaalsContact C-N 3.32Å; G568-T570 PolarHBondContact O-N 3.44Å; T570-Q573 PolarHBondContact O-N 3.03Å; T570-N574 VanDerWaalsContact O-CG 3.24Å; T570-N574 PolarHBondContact O-N 2.96Å; T570-N574 PolarHBondContact O-ND2 3.43Å; T570-L608 WeakPolarHBondContact OG1-CD2 3.44Å |
| 571 | N | 92.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.011 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 177.3 | -70.1 | -29.6 | 0 | 0 | 0 | 111.6 | T547 I553 Q556 D567 G568 N574 Y575 | T547-N571 HydrophobicContact CG2-CB 4.34Å; I553-N571 HydrophobicContact CD1-CB 4.14Å; I553-N571 HydrophobicContact CG1-CB 3.92Å; Q556-N571 PolarHBondContact OE1-ND2 3.42Å; D567-N571 WeakPolarHBondContact O-CB 3.49Å; D567-N571 VanDerWaalsContact O-CG 3.23Å; D567-N571 PolarHBondContact O-N 3.43Å; D567-N571 PolarHBondContact O-ND2 3.22Å; G568-N571 PolarHBondContact O-N 2.8Å; N571-N574 PolarHBondContact O-N 2.86Å; N571-Y575 WeakPolarHBondContact O-CB 3.35Å; N571-Y575 PolarHBondContact O-N 2.86Å |
| 572 | L | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 174.2 | -175 | 60.1 | 0 | 0 | 0 | 112.2 | L550 I553 L557 G568 L569 N574 Y575 M576 L590 F594 T612 | L550-L572 HydrophobicContact CD1-CD1 4.18Å; I553-L572 HydrophobicContact CG2-CB 3.68Å; I553-L572 HydrophobicContact CG2-CD1 4.18Å; I553-L572 HydrophobicContact CG2-CG 4.43Å; L557-L572 HydrophobicContact CD1-CD2 3.96Å; G568-L572 WeakPolarHBondContact O-CB 3.34Å; G568-L572 PolarHBondContact O-N 3.26Å; L569-L572 PolarHBondContact O-N 3.29Å; L572-N574 VanDerWaalsContact C-N 3.26Å; L572-N574 PolarHBondContact O-N 2.99Å; L572-Y575 PolarHBondContact O-N 3.45Å; L572-M576 HydrophobicContact CD1-CG 4.3Å; L572-M576 HydrophobicContact CD1-SD 4.44Å; L572-M576 HydrophobicContact CG-CE 4.12Å; L572-M576 HydrophobicContact CG-SD 4.3Å; L572-M576 WeakPolarHBondContact O-CG 3.09Å; L572-M576 PolarHBondContact O-N 2.9Å; L572-L590 HydrophobicContact CD1-CD1 3.91Å; L572-L590 HydrophobicContact CD1-CD2 4.26Å; L572-L590 HydrophobicContact CD2-CD1 4.26Å; L572-L590 HydrophobicContact CD2-CD2 3.67Å; L572-F594 HydrophobicContact CD2-CE1 3.88Å; L572-F594 HydrophobicContact CD2-CZ 3.56Å; L572-T612 HydrophobicContact CD2-CG2 4.03Å; L572-T612 HydrophobicContact CG-CG2 4.41Å |
| 573 | Q | 91.1 | Very high | 89.2 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 8% | 0.075 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59 | -40.5 | 173.6 | -71.2 | -169.3 | 11 | 0 | 0 | 111.5 | L569 T570 R577 T612 | L569-Q573 WeakPolarHBondContact O-CG 3.46Å; L569-Q573 PolarHBondContact O-N 3.09Å; T570-Q573 PolarHBondContact O-N 3.03Å; Q573-R577 VanDerWaalsContact O-CB 3.31Å; Q573-R577 WeakPolarHBondContact O-CB 3.39Å; Q573-R577 VanDerWaalsContact O-CG 3.25Å; Q573-R577 WeakPolarHBondContact O-CG 3.37Å; Q573-R577 PolarHBondContact O-N 3.4Å; Q573-R577 VanDerWaalsContact OE1-CZ 3.3Å; Q573-T612 HydrophobicContact CG-CG2 4.03Å; Q573-T612 VanDerWaalsContact CG-OG1 3.24Å; Q573-T612 WeakPolarHBondContact CG-OG1 3.39Å; Q573-T612 PolarHBondContact NE2-OG1 3.33Å |
| 574 | N | 89.6 | Confident | 88.9 | Confident | 47 Ų | 47 | 50.7 Ų | 50.7 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.9 | -38.3 | 178.2 | -66.3 | -18.1 | 0 | 0 | 0 | 112.2 | V546 T570 N571 L572 S578 | V546-N574 HydrophobicContact CG1-CB 3.88Å; T570-N574 VanDerWaalsContact O-CG 3.24Å; T570-N574 PolarHBondContact O-N 2.96Å; T570-N574 PolarHBondContact O-ND2 3.43Å; N571-N574 PolarHBondContact O-N 2.86Å; L572-N574 VanDerWaalsContact C-N 3.26Å; L572-N574 PolarHBondContact O-N 2.99Å; N574-S578 WeakPolarHBondContact O-CB 3.1Å; N574-S578 PolarHBondContact O-N 2.87Å; N574-S578 PolarHBondContact O-OG 2.9Å |
| 575 | Y | 89.7 | Confident | 88.7 | Confident | 31 Ų | 31 | 53.6 Ų | 53.6 | 12% | 0.122 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.7 | -52.9 | 174.6 | -175 | -81.2 | 0 | 0 | 0 | 111 | S548 L550 I553 N571 L572 R577 S578 L582 | S548-Y575 WeakPolarHBondContact O-CE2 3.4Å; L550-Y575 HydrophobicContact CB-CE2 4.1Å; L550-Y575 HydrophobicContact CD2-CE1 4.4Å; I553-Y575 HydrophobicContact CD1-CD2 4.08Å; I553-Y575 HydrophobicContact CD1-CG 4.19Å; N571-Y575 WeakPolarHBondContact O-CB 3.35Å; N571-Y575 PolarHBondContact O-N 2.86Å; L572-Y575 PolarHBondContact O-N 3.45Å; Y575-R577 PolarHBondContact O-N 2.91Å; Y575-S578 WeakPolarHBondContact O-CB 3.42Å; Y575-S578 PolarHBondContact O-N 3.42Å; Y575-S578 VanDerWaalsContact O-N 3.12Å; Y575-L582 HydrophobicContact CD1-CD2 3.85Å; Y575-L582 HydrophobicContact CE1-CD2 3.47Å; Y575-L582 VanDerWaalsContact CE1-CD2 3.47Å; Y575-L582 HydrophobicContact CE1-CG 4.23Å |
| 576 | M | 88.9 | Confident | 88.5 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 4% | 0.044 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 179.4 | -61.1 | -179.3 | -58.2 | 0 | 0 | 111.9 | L572 S578 G579 L582 T612 F615 F616 Y620 | L572-M576 HydrophobicContact CD1-CG 4.3Å; L572-M576 HydrophobicContact CD1-SD 4.44Å; L572-M576 HydrophobicContact CG-CE 4.12Å; L572-M576 HydrophobicContact CG-SD 4.3Å; L572-M576 WeakPolarHBondContact O-CG 3.09Å; L572-M576 PolarHBondContact O-N 2.9Å; M576-S578 PolarHBondContact O-N 3.27Å; M576-G579 PolarHBondContact O-N 2.82Å; M576-G579 VanDerWaalsContact O-N 3.15Å; M576-L582 HydrophobicContact CG-CD1 4.2Å; M576-L582 HydrophobicContact SD-CD1 4.31Å; M576-T612 HydrophobicContact CE-CG2 3.9Å; M576-F615 HydrophobicContact CB-CD1 4.08Å; M576-F615 HydrophobicContact CB-CE1 3.63Å; M576-F615 HydrophobicContact CB-CZ 4.46Å; M576-F615 HydrophobicContact CE-CB 4.44Å; M576-F615 HydrophobicContact CE-CD1 3.65Å; M576-F615 HydrophobicContact CE-CE1 4.37Å; M576-F615 HydrophobicContact CE-CG 4.3Å; M576-F615 HydrophobicContact SD-CD1 4.06Å; M576-F615 HydrophobicContact SD-CE1 4.48Å; M576-F616 HydrophobicContact SD-CB 4.4Å; M576-F616 HydrophobicContact SD-CD2 3.93Å; M576-Y620 HydrophobicContact CG-CE2 4.3Å; M576-Y620 HydrophobicContact SD-CE2 3.91Å |
| 577 | R | 86.3 | Confident | 88.4 | Confident | 139 Ų | 139 | 50 Ų | 50 | 53% | 0.525 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.3 | -17.3 | 174.8 | -74 | -179.7 | -169.7 | 121.3 | 9.8 | 114.3 | Q573 Y575 G579 F615 | Q573-R577 VanDerWaalsContact O-CB 3.31Å; Q573-R577 WeakPolarHBondContact O-CB 3.39Å; Q573-R577 VanDerWaalsContact O-CG 3.25Å; Q573-R577 WeakPolarHBondContact O-CG 3.37Å; Q573-R577 PolarHBondContact O-N 3.4Å; Q573-R577 VanDerWaalsContact OE1-CZ 3.3Å; Y575-R577 PolarHBondContact O-N 2.91Å; R577-G579 PolarHBondContact O-N 3.24Å; R577-F615 HydrophobicContact CG-CE2 4.01Å; R577-F615 HydrophobicContact CG-CZ 4.15Å |
| 578 | S | 82.6 | Confident | 88.3 | Confident | 75 Ų | 75 | 52.7 Ų | 52.7 | 52% | 0.524 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -2.1 | 175.7 | -58.9 | 0 | 0 | 0 | 0 | 113 | N574 Y575 M576 Y580 | N574-S578 WeakPolarHBondContact O-CB 3.1Å; N574-S578 PolarHBondContact O-N 2.87Å; N574-S578 PolarHBondContact O-OG 2.9Å; Y575-S578 WeakPolarHBondContact O-CB 3.42Å; Y575-S578 PolarHBondContact O-N 3.42Å; Y575-S578 VanDerWaalsContact O-N 3.12Å; M576-S578 PolarHBondContact O-N 3.27Å; S578-Y580 VanDerWaalsContact C-N 3.29Å; S578-Y580 PolarHBondContact O-N 3.06Å |
| 579 | G | 75.1 | Confident | 88.3 | Confident | 63 Ų | 63 | 54.8 Ų | 54.8 | 65% | 0.649 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 10.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | M576 R577 | M576-G579 PolarHBondContact O-N 2.82Å; M576-G579 VanDerWaalsContact O-N 3.15Å; R577-G579 PolarHBondContact O-N 3.24Å |
| 580 | Y | 77.9 | Confident | 88.3 | Confident | 132 Ų | 132 | 54.8 Ų | 54.8 | 52% | 0.518 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 122.5 | 171.7 | -67.5 | -64.9 | 0 | 0 | 0 | 109.9 | S578 | S578-Y580 VanDerWaalsContact C-N 3.29Å; S578-Y580 PolarHBondContact O-N 3.06Å |
| 581 | P | 77.8 | Confident | 88.4 | Confident | 101 Ų | 101 | 53 Ų | 53 | 66% | 0.656 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 140.4 | 175.2 | 28.6 | -34 | 0 | 0 | 0 | 110.5 | ||
| 582 | L | 86.1 | Confident | 88.5 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 137.7 | 167.8 | -65.1 | 170.8 | 0 | 0 | 0 | 108.9 | L550 Y575 M576 I587 L590 F616 Y620 | L550-L582 HydrophobicContact CD1-CD2 3.74Å; L550-L582 HydrophobicContact CD2-CD2 3.46Å; L550-L582 VanDerWaalsContact CD2-CD2 3.46Å; L550-L582 HydrophobicContact CG-CD2 4.26Å; Y575-L582 HydrophobicContact CD1-CD2 3.85Å; Y575-L582 HydrophobicContact CE1-CD2 3.47Å; Y575-L582 VanDerWaalsContact CE1-CD2 3.47Å; Y575-L582 HydrophobicContact CE1-CG 4.23Å; M576-L582 HydrophobicContact CG-CD1 4.2Å; M576-L582 HydrophobicContact SD-CD1 4.31Å; L582-I587 HydrophobicContact CB-CD1 4.01Å; L582-I587 HydrophobicContact CB-CG1 3.64Å; L582-I587 HydrophobicContact CD1-CG1 4.24Å; L582-L590 HydrophobicContact CD1-CD1 3.72Å; L582-L590 HydrophobicContact CD2-CD1 4.24Å; L582-F616 HydrophobicContact CD1-CD2 4.38Å; L582-F616 HydrophobicContact CD1-CE2 3.99Å; L582-Y620 HydrophobicContact CB-CE1 4.31Å; L582-Y620 HydrophobicContact CD1-CD2 4.36Å; L582-Y620 HydrophobicContact CD1-CE1 4.47Å; L582-Y620 HydrophobicContact CD1-CE2 3.64Å; L582-Y620 HydrophobicContact CG-CE2 4.43Å |
| 583 | N | 87 | Confident | 88.5 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 157.2 | 173.5 | -53.6 | -70.9 | 0 | 0 | 0 | 110.2 | D585 D586 I587 | N583-D585 VanDerWaalsContact C-N 3.25Å; N583-D585 PolarHBondContact O-N 3.19Å; N583-D586 WeakPolarHBondContact CB-OD2 3.37Å; N583-D586 PolarHBondContact ND2-OD2 3.49Å; N583-D586 PolarHBondContact O-N 2.98Å; N583-D586 VanDerWaalsContact O-N 3.07Å; N583-I587 WeakPolarHBondContact O-CG1 3.34Å; N583-I587 PolarHBondContact O-N 2.91Å |
| 584 | P | 87.3 | Confident | 88.8 | Confident | 73 Ų | 73 | 57.1 Ų | 57.1 | 47% | 0.474 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -52.7 | -40.9 | 174.9 | -28.3 | 36.6 | 0 | 0 | 0 | 113.4 | D586 I587 H588 | P584-D586 PolarHBondContact O-N 3.27Å; P584-I587 WeakPolarHBondContact O-CB 3.47Å; P584-I587 PolarHBondContact O-N 3.24Å; P584-H588 PolarHBondContact O-CD2 3.09Å; P584-H588 PolarHBondContact O-N 3.22Å |
| 585 | D | 90.1 | Very high | 88.9 | Confident | 127 Ų | 127 | 55.1 Ų | 55.1 | 68% | 0.679 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.7 | -40.2 | 177.4 | -59.4 | -44.5 | 0 | 0 | 0 | 112.8 | N583 H588 C589 | N583-D585 VanDerWaalsContact C-N 3.25Å; N583-D585 PolarHBondContact O-N 3.19Å; D585-H588 PolarHBondContact O-N 3.29Å; D585-C589 WeakPolarHBondContact O-CB 3.47Å; D585-C589 PolarHBondContact O-N 3.46Å |
| 586 | D | 91.5 | Very high | 89.1 | Confident | 30 Ų | 30 | 60 Ų | 60 | 16% | 0.16 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 175.7 | -65.2 | -58.8 | 0 | 0 | 0 | 111 | L550 N583 P584 C589 L590 | L550-D586 HydrophobicContact CD2-CB 3.74Å; N583-D586 WeakPolarHBondContact CB-OD2 3.37Å; N583-D586 PolarHBondContact ND2-OD2 3.49Å; N583-D586 PolarHBondContact O-N 2.98Å; N583-D586 VanDerWaalsContact O-N 3.07Å; P584-D586 PolarHBondContact O-N 3.27Å; D586-C589 PolarHBondContact O-N 3.4Å; D586-L590 WeakPolarHBondContact O-CB 3.43Å; D586-L590 VanDerWaalsContact O-CG 3.24Å; D586-L590 WeakPolarHBondContact O-CG 3.45Å; D586-L590 PolarHBondContact O-N 3Å |
| 587 | I | 92.4 | Very high | 89.3 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 174.1 | -68.9 | 170.3 | 0 | 0 | 0 | 110 | L582 N583 P584 L590 T591 F616 Y620 L623 L624 | L582-I587 HydrophobicContact CB-CD1 4.01Å; L582-I587 HydrophobicContact CB-CG1 3.64Å; L582-I587 HydrophobicContact CD1-CG1 4.24Å; N583-I587 WeakPolarHBondContact O-CG1 3.34Å; N583-I587 PolarHBondContact O-N 2.91Å; P584-I587 WeakPolarHBondContact O-CB 3.47Å; P584-I587 PolarHBondContact O-N 3.24Å; I587-L590 PolarHBondContact O-N 3.27Å; I587-T591 WeakPolarHBondContact O-CG2 3.2Å; I587-T591 PolarHBondContact O-N 3.38Å; I587-T591 PolarHBondContact O-OG1 2.94Å; I587-F616 HydrophobicContact CG1-CE2 4.45Å; I587-F616 HydrophobicContact CG2-CZ 3.93Å; I587-Y620 HydrophobicContact CD1-CD1 3.68Å; I587-Y620 HydrophobicContact CD1-CE1 4.24Å; I587-Y620 HydrophobicContact CD1-CG 4.05Å; I587-L623 HydrophobicContact CD1-CD1 3.51Å; I587-L624 HydrophobicContact CG2-CD2 3.8Å |
| 588 | H | 92.4 | Very high | 89.5 | Confident | 107 Ų | 107 | 54 Ų | 54 | 50% | 0.495 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 174.1 | -77.3 | -63 | 0 | 0 | 0 | 111.5 | P584 D585 L590 T591 E592 | P584-H588 PolarHBondContact O-CD2 3.09Å; P584-H588 PolarHBondContact O-N 3.22Å; D585-H588 PolarHBondContact O-N 3.29Å; H588-L590 VanDerWaalsContact C-N 3.32Å; H588-L590 PolarHBondContact O-N 2.88Å; H588-T591 WeakPolarHBondContact CA-OG1 3.4Å; H588-T591 PolarHBondContact O-N 3.14Å; H588-T591 VanDerWaalsContact O-N 3.16Å; H588-T591 PolarHBondContact O-OG1 3.1Å; H588-E592 PolarHBondContact O-N 3.22Å |
| 589 | C | 94.1 | Very high | 89.9 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.8 | -45 | 175.8 | -166.7 | 0 | 0 | 0 | 0 | 111.9 | I554 D585 D586 E592 I593 | I554-C589 HydrophobicContact CD1-CB 4.48Å; D585-C589 WeakPolarHBondContact O-CB 3.47Å; D585-C589 PolarHBondContact O-N 3.46Å; D586-C589 PolarHBondContact O-N 3.4Å; C589-E592 PolarHBondContact O-N 2.95Å; C589-I593 WeakPolarHBondContact O-CD1 3.38Å; C589-I593 VanDerWaalsContact O-CG1 3.26Å; C589-I593 WeakPolarHBondContact O-CG1 2.86Å; C589-I593 PolarHBondContact O-N 3.36Å |
| 590 | L | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 176.4 | -72.8 | 169.7 | 0 | 0 | 0 | 112.6 | I554 L557 L572 L582 D586 I587 H588 E592 I593 F594 F616 | I554-L590 HydrophobicContact CG1-CD2 4.31Å; L557-L590 HydrophobicContact CD1-CD2 3.72Å; L572-L590 HydrophobicContact CD1-CD1 3.91Å; L572-L590 HydrophobicContact CD1-CD2 4.26Å; L572-L590 HydrophobicContact CD2-CD1 4.26Å; L572-L590 HydrophobicContact CD2-CD2 3.67Å; L582-L590 HydrophobicContact CD1-CD1 3.72Å; L582-L590 HydrophobicContact CD2-CD1 4.24Å; D586-L590 WeakPolarHBondContact O-CB 3.43Å; D586-L590 VanDerWaalsContact O-CG 3.24Å; D586-L590 WeakPolarHBondContact O-CG 3.45Å; D586-L590 PolarHBondContact O-N 3Å; I587-L590 PolarHBondContact O-N 3.27Å; H588-L590 VanDerWaalsContact C-N 3.32Å; H588-L590 PolarHBondContact O-N 2.88Å; L590-E592 VanDerWaalsContact C-N 3.3Å; L590-E592 PolarHBondContact O-N 3.09Å; L590-I593 HydrophobicContact CD2-CD1 4.43Å; L590-I593 PolarHBondContact O-N 2.92Å; L590-F594 VanDerWaalsContact O-CB 3.28Å; L590-F594 WeakPolarHBondContact O-CB 3.44Å; L590-F594 WeakPolarHBondContact O-CG 3.37Å; L590-F594 PolarHBondContact O-N 3.04Å; L590-F616 HydrophobicContact CB-CE2 4.25Å; L590-F616 HydrophobicContact CB-CZ 4Å; L590-F616 HydrophobicContact CD1-CE2 4.07Å |
| 591 | T | 94.9 | Very high | 91.3 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -35.8 | 173.9 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | I587 H588 S595 F616 L624 W627 | I587-T591 WeakPolarHBondContact O-CG2 3.2Å; I587-T591 PolarHBondContact O-N 3.38Å; I587-T591 PolarHBondContact O-OG1 2.94Å; H588-T591 WeakPolarHBondContact CA-OG1 3.4Å; H588-T591 PolarHBondContact O-N 3.14Å; H588-T591 VanDerWaalsContact O-N 3.16Å; H588-T591 PolarHBondContact O-OG1 3.1Å; T591-S595 WeakPolarHBondContact O-CB 3.43Å; T591-S595 PolarHBondContact O-N 3.36Å; T591-S595 PolarHBondContact O-OG 3.25Å; T591-F616 HydrophobicContact CG2-CE1 3.94Å; T591-F616 HydrophobicContact CG2-CZ 4.23Å; T591-L624 HydrophobicContact CG2-CD2 3.47Å; T591-L624 VanDerWaalsContact CG2-CD2 3.47Å; T591-W627 HydrophobicContact CG2-CB 4.31Å; T591-W627 HydrophobicContact CG2-CD2 3.59Å; T591-W627 HydrophobicContact CG2-CE3 3.67Å; T591-W627 HydrophobicContact CG2-CG 3.89Å; T591-W627 HydrophobicContact CG2-CZ2 4.48Å; T591-W627 HydrophobicContact CG2-CZ3 4.15Å; T591-W627 WeakPolarHBondContact O-CZ2 3.42Å |
| 592 | E | 94.1 | Very high | 92 | Very high | 97 Ų | 97 | 49.7 Ų | 49.7 | 45% | 0.453 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -72.2 | -31.5 | 175.1 | -91.8 | -59.1 | 112.3 | 0 | 0 | 113.5 | H588 C589 L590 K596 | H588-E592 PolarHBondContact O-N 3.22Å; C589-E592 PolarHBondContact O-N 2.95Å; L590-E592 VanDerWaalsContact C-N 3.3Å; L590-E592 PolarHBondContact O-N 3.09Å; E592-K596 WeakPolarHBondContact O-CD 3.05Å; E592-K596 WeakPolarHBondContact O-CE 3.1Å; E592-K596 IonicContact OE2-NZ 2.85Å |
| 593 | I | 95.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.9 | -53.3 | 172.1 | -68.8 | 163.6 | 0 | 0 | 0 | 109.8 | I554 L557 Q558 C589 L590 S595 K596 M597 | I554-I593 HydrophobicContact CB-CD1 4.36Å; I554-I593 HydrophobicContact CG1-CD1 4.17Å; I554-I593 HydrophobicContact CG2-CD1 3.92Å; L557-I593 HydrophobicContact CB-CG2 3.7Å; L557-I593 HydrophobicContact CD1-CG2 4.43Å; Q558-I593 HydrophobicContact CG-CD1 4.01Å; Q558-I593 HydrophobicContact CG-CG1 3.86Å; C589-I593 WeakPolarHBondContact O-CD1 3.38Å; C589-I593 VanDerWaalsContact O-CG1 3.26Å; C589-I593 WeakPolarHBondContact O-CG1 2.86Å; C589-I593 PolarHBondContact O-N 3.36Å; L590-I593 HydrophobicContact CD2-CD1 4.43Å; L590-I593 PolarHBondContact O-N 2.92Å; I593-S595 PolarHBondContact O-N 3.34Å; I593-K596 WeakPolarHBondContact O-CA 3.3Å; I593-K596 WeakPolarHBondContact O-CB 3.39Å; I593-K596 PolarHBondContact O-N 3.29Å; I593-M597 HydrophobicContact CG2-CG 4.23Å; I593-M597 HydrophobicContact CG2-SD 4.04Å; I593-M597 WeakPolarHBondContact O-CG 2.92Å; I593-M597 PolarHBondContact O-N 2.8Å |
| 594 | F | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.4 | -37.6 | 178.1 | -71.6 | -3.9 | 0 | 0 | 0 | 112.2 | L569 L572 L590 K596 M597 F598 F609 T612 L613 F616 W627 | L569-F594 HydrophobicContact CD2-CE1 4.24Å; L572-F594 HydrophobicContact CD2-CE1 3.88Å; L572-F594 HydrophobicContact CD2-CZ 3.56Å; L590-F594 VanDerWaalsContact O-CB 3.28Å; L590-F594 WeakPolarHBondContact O-CB 3.44Å; L590-F594 WeakPolarHBondContact O-CG 3.37Å; L590-F594 PolarHBondContact O-N 3.04Å; F594-K596 PolarHBondContact O-N 2.85Å; F594-M597 HydrophobicContact CD1-SD 4.01Å; F594-M597 HydrophobicContact CE1-SD 4.4Å; F594-M597 PolarHBondContact O-N 2.89Å; F594-M597 VanDerWaalsContact O-N 3.07Å; F594-F598 WeakPolarHBondContact O-CD2 3.14Å; F594-F598 PolarHBondContact O-N 3.5Å; F594-F609 HydrophobicContact CB-CE2 3.63Å; F594-F609 HydrophobicContact CB-CZ 3.96Å; F594-F609 HydrophobicContact CD1-CD2 4.13Å; F594-F609 AromaticContact CD1-CE2 3.68Å; F594-F609 HydrophobicContact CD1-CE2 3.68Å; F594-F609 HydrophobicContact CD2-CE2 4.11Å; F594-F609 HydrophobicContact CE1-CD2 4.42Å; F594-F609 HydrophobicContact CE1-CE2 4.3Å; F594-F609 HydrophobicContact CG-CD2 4.42Å; F594-F609 AromaticContact CG-CE2 3.55Å; F594-F609 HydrophobicContact CG-CE2 3.55Å; F594-F609 HydrophobicContact CG-CZ 4.37Å; F594-F609 WeakPolarHBondContact O-CZ 3.47Å; F594-T612 HydrophobicContact CZ-CG2 3.9Å; F594-L613 HydrophobicContact CD2-CD1 4.15Å; F594-F616 AromaticContact CD2-CD1 3.94Å; F594-F616 HydrophobicContact CD2-CD1 3.94Å; F594-F616 AromaticContact CD2-CE1 3.98Å; F594-F616 HydrophobicContact CD2-CE1 3.98Å; F594-F616 HydrophobicContact CE2-CB 4.08Å; F594-F616 AromaticContact CE2-CD1 3.57Å; F594-F616 HydrophobicContact CE2-CD1 3.57Å; F594-F616 HydrophobicContact CE2-CD2 4.2Å; F594-F616 AromaticContact CE2-CE1 3.88Å; F594-F616 HydrophobicContact CE2-CE1 3.88Å; F594-F616 HydrophobicContact CE2-CE2 4.49Å; F594-F616 AromaticContact CE2-CG 3.72Å; F594-F616 HydrophobicContact CE2-CG 3.72Å; F594-F616 HydrophobicContact CE2-CZ 4.33Å; F594-W627 HydrophobicContact CB-CH2 3.8Å; F594-W627 HydrophobicContact CB-CZ2 3.94Å; F594-W627 HydrophobicContact CD2-CH2 4.13Å |
| 595 | S | 93.2 | Very high | 92.6 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54 | -30.6 | 171.2 | -74.6 | 0 | 0 | 0 | 0 | 114.1 | T591 I593 W627 R634 | T591-S595 WeakPolarHBondContact O-CB 3.43Å; T591-S595 PolarHBondContact O-N 3.36Å; T591-S595 PolarHBondContact O-OG 3.25Å; I593-S595 PolarHBondContact O-N 3.34Å; S595-W627 PolarHBondContact OG-NE1 3.12Å; S595-R634 PolarHBondContact O-NE 3.5Å; S595-R634 PolarHBondContact OG-NH1 2.8Å |
| 596 | K | 92.5 | Very high | 92.7 | Very high | 133 Ų | 133 | 44.1 Ų | 44.1 | 58% | 0.578 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -89 | -36.1 | 174.3 | -63.4 | 156.7 | -169.3 | 157 | 0 | 111.4 | E592 I593 F594 F598 A599 | E592-K596 WeakPolarHBondContact O-CD 3.05Å; E592-K596 WeakPolarHBondContact O-CE 3.1Å; E592-K596 IonicContact OE2-NZ 2.85Å; I593-K596 WeakPolarHBondContact O-CA 3.3Å; I593-K596 WeakPolarHBondContact O-CB 3.39Å; I593-K596 PolarHBondContact O-N 3.29Å; F594-K596 PolarHBondContact O-N 2.85Å; K596-F598 PolarHBondContact O-N 2.97Å; K596-A599 WeakPolarHBondContact O-CB 3.46Å; K596-A599 PolarHBondContact O-N 3.15Å |
| 597 | M | 93.8 | Very high | 92.7 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 3% | 0.034 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -23.3 | 176.9 | -58.4 | -168.3 | 85.3 | 0 | 0 | 113.7 | L557 R565 L569 I593 F594 A599 D600 V605 F609 | L557-M597 HydrophobicContact CD2-CE 4.13Å; L557-M597 HydrophobicContact CD2-SD 3.97Å; R565-M597 HydrophobicContact CB-CE 4.11Å; L569-M597 HydrophobicContact CD1-CE 3.68Å; L569-M597 HydrophobicContact CD2-CE 4.02Å; L569-M597 HydrophobicContact CD2-SD 4.03Å; L569-M597 HydrophobicContact CG-CE 3.81Å; L569-M597 HydrophobicContact CG-SD 4.45Å; I593-M597 HydrophobicContact CG2-CG 4.23Å; I593-M597 HydrophobicContact CG2-SD 4.04Å; I593-M597 WeakPolarHBondContact O-CG 2.92Å; I593-M597 PolarHBondContact O-N 2.8Å; F594-M597 HydrophobicContact CD1-SD 4.01Å; F594-M597 HydrophobicContact CE1-SD 4.4Å; F594-M597 PolarHBondContact O-N 2.89Å; F594-M597 VanDerWaalsContact O-N 3.07Å; M597-A599 PolarHBondContact O-N 3.02Å; M597-A599 VanDerWaalsContact O-N 3.17Å; M597-D600 VanDerWaalsContact O-CB 3.28Å; M597-D600 WeakPolarHBondContact O-CB 3.09Å; M597-D600 PolarHBondContact O-N 3.26Å; M597-V605 HydrophobicContact CE-CG1 3.52Å; M597-F609 HydrophobicContact CB-CD1 4.09Å; M597-F609 HydrophobicContact CB-CD2 4.05Å; M597-F609 HydrophobicContact CB-CE1 4.08Å; M597-F609 HydrophobicContact CB-CE2 4.06Å; M597-F609 HydrophobicContact CB-CG 4.08Å; M597-F609 HydrophobicContact CB-CZ 4.07Å; M597-F609 HydrophobicContact SD-CD2 4.25Å |
| 598 | F | 91.6 | Very high | 92.7 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25.4 | 166.9 | -84.4 | -71.5 | 0 | 0 | 0 | 114.1 | F594 K596 F609 M610 L613 W627 L631 R634 L635 R638 | F594-F598 WeakPolarHBondContact O-CD2 3.14Å; F594-F598 PolarHBondContact O-N 3.5Å; K596-F598 PolarHBondContact O-N 2.97Å; F598-F609 AromaticContact CD1-CE1 3.93Å; F598-F609 HydrophobicContact CD1-CE1 3.93Å; F598-F609 HydrophobicContact CD1-CZ 4.46Å; F598-F609 HydrophobicContact CD2-CE1 4.11Å; F598-F609 AromaticContact CD2-CZ 3.9Å; F598-F609 HydrophobicContact CD2-CZ 3.9Å; F598-F609 HydrophobicContact CE1-CE1 4.09Å; F598-F609 HydrophobicContact CE1-CZ 4.4Å; F598-F609 HydrophobicContact CE2-CE1 4.27Å; F598-F609 AromaticContact CE2-CZ 3.85Å; F598-F609 HydrophobicContact CE2-CZ 3.85Å; F598-F609 AromaticContact CG-CE1 3.93Å; F598-F609 HydrophobicContact CG-CE1 3.93Å; F598-F609 HydrophobicContact CG-CZ 4.22Å; F598-F609 HydrophobicContact CZ-CE1 4.25Å; F598-F609 HydrophobicContact CZ-CZ 4.1Å; F598-M610 HydrophobicContact CD1-CE 4.2Å; F598-M610 HydrophobicContact CE1-CE 4.02Å; F598-L613 HydrophobicContact CE1-CD2 4.13Å; F598-L613 HydrophobicContact CE2-CD2 4.26Å; F598-L613 HydrophobicContact CZ-CD2 3.51Å; F598-W627 HydrophobicContact CE2-CH2 4.32Å; F598-W627 HydrophobicContact CE2-CZ2 4.26Å; F598-L631 HydrophobicContact CE2-CD1 4.07Å; F598-L631 HydrophobicContact CZ-CD1 3.75Å; F598-R634 HydrophobicContact CB-CB 4.31Å; F598-R634 HydrophobicContact CD1-CB 4Å; F598-R634 HydrophobicContact CD2-CB 3.69Å; F598-R634 HydrophobicContact CD2-CG 4.29Å; F598-R634 HydrophobicContact CE1-CB 4.22Å; F598-R634 HydrophobicContact CE2-CB 3.91Å; F598-R634 HydrophobicContact CG-CB 3.74Å; F598-R634 HydrophobicContact CG-CG 4.46Å; F598-R634 HydrophobicContact CZ-CB 4.16Å; F598-L635 HydrophobicContact CE1-CD2 3.75Å; F598-L635 HydrophobicContact CE1-CG 3.86Å; F598-L635 HydrophobicContact CZ-CD2 4.11Å; F598-L635 HydrophobicContact CZ-CG 3.93Å; F598-R638 HydrophobicContact CD1-CB 4.47Å; F598-R638 WeakPolarHBondContact O-CD 3.35Å; F598-R638 PolarHBondContact O-NH1 3.36Å |
| 599 | A | 90.9 | Very high | 92.9 | Very high | 86 Ų | 86 | 41 Ų | 41 | 71% | 0.711 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 3.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K596 M597 S601 | K596-A599 WeakPolarHBondContact O-CB 3.46Å; K596-A599 PolarHBondContact O-N 3.15Å; M597-A599 PolarHBondContact O-N 3.02Å; M597-A599 VanDerWaalsContact O-N 3.17Å; A599-S601 PolarHBondContact O-N 3.2Å |
| 600 | D | 91.5 | Very high | 92.9 | Very high | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | trans | -65 | 135.7 | -177.5 | -156.4 | -36.6 | 0 | 0 | 0 | 111.4 | R565 M597 Q602 V605 V606 R638 | R565-D600 IonicContact CZ-OD2 3.17Å; R565-D600 IonicContact NE-OD2 3.23Å; R565-D600 PolarHBondContact NE-OD2 2.76Å; R565-D600 VanDerWaalsContact NH2-CG 3.3Å; R565-D600 IonicContact NH2-OD1 3.67Å; R565-D600 PolarHBondContact NH2-OD1 3.3Å; R565-D600 VanDerWaalsContact NH2-OD1 3.12Å; R565-D600 IonicContact NH2-OD2 2.75Å; R565-D600 PolarHBondContact NH2-OD2 3.23Å; M597-D600 VanDerWaalsContact O-CB 3.28Å; M597-D600 WeakPolarHBondContact O-CB 3.09Å; M597-D600 PolarHBondContact O-N 3.26Å; D600-Q602 WeakPolarHBondContact OD1-CB 3.34Å; D600-Q602 PolarHBondContact OD1-N 3.06Å; D600-V605 WeakPolarHBondContact OD2-CG1 3.44Å; D600-V606 HydrophobicContact CB-CG2 4.02Å; D600-V606 VanDerWaalsContact O-CG2 3.22Å; D600-V606 WeakPolarHBondContact O-CG2 3.24Å; D600-R638 PolarHBondContact O-NH1 3.13Å; D600-R638 PolarHBondContact O-NH2 2.9Å | ||
| 601 | S | 89.3 | Confident | 92.8 | Very high | 106 Ų | 106 | 43.2 Ų | 43.2 | 74% | 0.741 | 24% | 0.24 | S | C | * | . | trans | -85.6 | -18.2 | 179 | 57 | 0 | 0 | 0 | 0 | 112.8 | A599 S603 | A599-S601 PolarHBondContact O-N 3.2Å; S601-S603 PolarHBondContact O-N 3.16Å | ||
| 602 | Q | 92.4 | Very high | 92.8 | Very high | 77 Ų | 77 | 42.8 Ų | 42.8 | 36% | 0.36 | 24% | 0.237 | S | C | . | . | trans | -89.6 | 104.3 | -168.8 | -68.7 | -75.2 | -1.8 | 0 | 0 | 111.2 | W562 D600 K604 V605 V606 | W562-Q602 HydrophobicContact CB-CB 4Å; W562-Q602 HydrophobicContact CB-CG 3.62Å; W562-Q602 HydrophobicContact CG-CB 4.5Å; W562-Q602 HydrophobicContact CG-CG 4.02Å; D600-Q602 WeakPolarHBondContact OD1-CB 3.34Å; D600-Q602 PolarHBondContact OD1-N 3.06Å; Q602-K604 PolarHBondContact O-N 3.14Å; Q602-V605 HydrophobicContact CB-CB 4.27Å; Q602-V605 HydrophobicContact CB-CG2 3.86Å; Q602-V605 WeakPolarHBondContact O-CA 3.35Å; Q602-V605 WeakPolarHBondContact O-CB 3.42Å; Q602-V605 PolarHBondContact O-N 3.35Å; Q602-V606 PolarHBondContact O-N 3.17Å | ||
| 603 | S | 89.1 | Confident | 92.9 | Very high | 47 Ų | 47 | 38.2 Ų | 38.2 | 33% | 0.329 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -52.5 | -33.7 | -173.8 | 170.6 | 0 | 0 | 0 | 0 | 114.7 | S601 V606 S607 H647 | S601-S603 PolarHBondContact O-N 3.16Å; S603-V606 PolarHBondContact O-N 3.02Å; S603-S607 WeakPolarHBondContact O-CB 3.49Å; S603-S607 PolarHBondContact O-N 3.44Å; S603-S607 PolarHBondContact O-OG 2.96Å; S603-H647 PolarHBondContact O-NE2 3.27Å; S603-H647 PolarHBondContact OG-CE1 3.06Å; S603-H647 VanDerWaalsContact OG-CE1 3.27Å; S603-H647 PolarHBondContact OG-NE2 3.3Å |
| 604 | K | 90.5 | Very high | 92.9 | Very high | 139 Ų | 139 | 38.7 Ų | 38.7 | 60% | 0.604 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -64.6 | -40.9 | 174.4 | -68.9 | 177.6 | 179.6 | 174.1 | 0 | 112.4 | W562 Q602 L608 | W562-K604 HydrophobicContact CH2-CD 3.99Å; W562-K604 HydrophobicContact CZ3-CB 4.27Å; W562-K604 HydrophobicContact CZ3-CD 3.71Å; Q602-K604 PolarHBondContact O-N 3.14Å; K604-L608 WeakPolarHBondContact O-CB 3.26Å; K604-L608 PolarHBondContact O-N 3.22Å |
| 605 | V | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.4 | -45.3 | 176 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | W562 R565 K566 L569 M597 D600 Q602 S607 L608 F609 | W562-V605 HydrophobicContact CB-CG2 3.97Å; W562-V605 HydrophobicContact CE3-CG2 4.33Å; W562-V605 WeakPolarHBondContact O-CG2 3.38Å; R565-V605 HydrophobicContact CB-CG1 3.97Å; K566-V605 HydrophobicContact CB-CG2 4.33Å; L569-V605 HydrophobicContact CD1-CG1 3.71Å; L569-V605 WeakPolarHBondContact CD1-O 3.15Å; M597-V605 HydrophobicContact CE-CG1 3.52Å; D600-V605 WeakPolarHBondContact OD2-CG1 3.44Å; Q602-V605 HydrophobicContact CB-CB 4.27Å; Q602-V605 HydrophobicContact CB-CG2 3.86Å; Q602-V605 WeakPolarHBondContact O-CA 3.35Å; Q602-V605 WeakPolarHBondContact O-CB 3.42Å; Q602-V605 PolarHBondContact O-N 3.35Å; V605-S607 PolarHBondContact O-N 2.95Å; V605-L608 PolarHBondContact O-N 2.89Å; V605-F609 WeakPolarHBondContact O-CB 3.47Å; V605-F609 PolarHBondContact O-N 3.45Å |
| 606 | V | 92.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 179.1 | 176.4 | 0 | 0 | 0 | 0 | 112.4 | D600 Q602 S603 F609 M610 | D600-V606 HydrophobicContact CB-CG2 4.02Å; D600-V606 VanDerWaalsContact O-CG2 3.22Å; D600-V606 WeakPolarHBondContact O-CG2 3.24Å; Q602-V606 PolarHBondContact O-N 3.17Å; S603-V606 PolarHBondContact O-N 3.02Å; V606-F609 PolarHBondContact O-N 3.3Å; V606-M610 WeakPolarHBondContact O-CG 3.34Å; V606-M610 PolarHBondContact O-N 3Å |
| 607 | S | 90.4 | Very high | 92.9 | Very high | 43 Ų | 43 | 34.9 Ų | 34.9 | 30% | 0.301 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.7 | -52.8 | 177.7 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | S603 V605 F609 M610 D611 H647 | S603-S607 WeakPolarHBondContact O-CB 3.49Å; S603-S607 PolarHBondContact O-N 3.44Å; S603-S607 PolarHBondContact O-OG 2.96Å; V605-S607 PolarHBondContact O-N 2.95Å; S607-F609 VanDerWaalsContact C-N 3.28Å; S607-F609 PolarHBondContact O-N 2.64Å; S607-M610 PolarHBondContact O-N 3.29Å; S607-D611 PolarHBondContact O-N 3.3Å; S607-H647 PolarHBondContact OG-CD2 3.13Å; S607-H647 VanDerWaalsContact OG-CD2 3.31Å; S607-H647 PolarHBondContact OG-NE2 2.9Å |
| 608 | L | 93.2 | Very high | 92.9 | Very high | 33 Ų | 33 | 37.4 Ų | 37.4 | 17% | 0.173 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.7 | -34.8 | 178.8 | -174.8 | 64.3 | 0 | 0 | 0 | 112 | K566 L569 T570 K604 V605 D611 T612 | K566-L608 HydrophobicContact CG-CD2 4.05Å; K566-L608 VanDerWaalsContact O-CD2 3.29Å; K566-L608 WeakPolarHBondContact O-CD2 3.46Å; L569-L608 HydrophobicContact CB-CD2 3.59Å; L569-L608 HydrophobicContact CB-CG 3.87Å; L569-L608 HydrophobicContact CD1-CB 4.14Å; L569-L608 HydrophobicContact CD1-CD2 4.22Å; L569-L608 HydrophobicContact CD1-CG 4.15Å; T570-L608 WeakPolarHBondContact OG1-CD2 3.44Å; K604-L608 WeakPolarHBondContact O-CB 3.26Å; K604-L608 PolarHBondContact O-N 3.22Å; V605-L608 PolarHBondContact O-N 2.89Å; L608-D611 PolarHBondContact O-N 3.36Å; L608-T612 PolarHBondContact O-N 2.93Å; L608-T612 PolarHBondContact O-OG1 3.15Å |
| 609 | F | 96 | Very high | 92.8 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.5 | 169 | -124.8 | 0 | 0 | 0 | 111.7 | L569 F594 M597 F598 V605 V606 S607 D611 T612 L613 | L569-F609 HydrophobicContact CD1-CB 3.89Å; L569-F609 HydrophobicContact CD2-CB 4.34Å; L569-F609 HydrophobicContact CD2-CD2 4.29Å; F594-F609 HydrophobicContact CB-CE2 3.63Å; F594-F609 HydrophobicContact CB-CZ 3.96Å; F594-F609 HydrophobicContact CD1-CD2 4.13Å; F594-F609 AromaticContact CD1-CE2 3.68Å; F594-F609 HydrophobicContact CD1-CE2 3.68Å; F594-F609 HydrophobicContact CD2-CE2 4.11Å; F594-F609 HydrophobicContact CE1-CD2 4.42Å; F594-F609 HydrophobicContact CE1-CE2 4.3Å; F594-F609 HydrophobicContact CG-CD2 4.42Å; F594-F609 AromaticContact CG-CE2 3.55Å; F594-F609 HydrophobicContact CG-CE2 3.55Å; F594-F609 HydrophobicContact CG-CZ 4.37Å; F594-F609 WeakPolarHBondContact O-CZ 3.47Å; M597-F609 HydrophobicContact CB-CD1 4.09Å; M597-F609 HydrophobicContact CB-CD2 4.05Å; M597-F609 HydrophobicContact CB-CE1 4.08Å; M597-F609 HydrophobicContact CB-CE2 4.06Å; M597-F609 HydrophobicContact CB-CG 4.08Å; M597-F609 HydrophobicContact CB-CZ 4.07Å; M597-F609 HydrophobicContact SD-CD2 4.25Å; F598-F609 AromaticContact CD1-CE1 3.93Å; F598-F609 HydrophobicContact CD1-CE1 3.93Å; F598-F609 HydrophobicContact CD1-CZ 4.46Å; F598-F609 HydrophobicContact CD2-CE1 4.11Å; F598-F609 AromaticContact CD2-CZ 3.9Å; F598-F609 HydrophobicContact CD2-CZ 3.9Å; F598-F609 HydrophobicContact CE1-CE1 4.09Å; F598-F609 HydrophobicContact CE1-CZ 4.4Å; F598-F609 HydrophobicContact CE2-CE1 4.27Å; F598-F609 AromaticContact CE2-CZ 3.85Å; F598-F609 HydrophobicContact CE2-CZ 3.85Å; F598-F609 AromaticContact CG-CE1 3.93Å; F598-F609 HydrophobicContact CG-CE1 3.93Å; F598-F609 HydrophobicContact CG-CZ 4.22Å; F598-F609 HydrophobicContact CZ-CE1 4.25Å; F598-F609 HydrophobicContact CZ-CZ 4.1Å; V605-F609 WeakPolarHBondContact O-CB 3.47Å; V605-F609 PolarHBondContact O-N 3.45Å; V606-F609 PolarHBondContact O-N 3.3Å; S607-F609 VanDerWaalsContact C-N 3.28Å; S607-F609 PolarHBondContact O-N 2.64Å; F609-D611 VanDerWaalsContact C-N 3.29Å; F609-D611 PolarHBondContact O-N 3.28Å; F609-T612 PolarHBondContact O-N 3.25Å; F609-L613 HydrophobicContact CD2-CB 4.47Å; F609-L613 HydrophobicContact CE1-CD2 4.44Å; F609-L613 HydrophobicContact CE2-CB 4.16Å; F609-L613 HydrophobicContact CE2-CD2 4.4Å; F609-L613 HydrophobicContact CZ-CD2 4Å; F609-L613 WeakPolarHBondContact O-CB 3.47Å; F609-L613 PolarHBondContact O-N 3.28Å |
| 610 | M | 94.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -33.1 | 177.3 | -67.8 | -68.5 | 164.1 | 0 | 0 | 112.3 | F598 V606 S607 L613 Q614 L635 R638 A650 I651 | F598-M610 HydrophobicContact CD1-CE 4.2Å; F598-M610 HydrophobicContact CE1-CE 4.02Å; V606-M610 WeakPolarHBondContact O-CG 3.34Å; V606-M610 PolarHBondContact O-N 3Å; S607-M610 PolarHBondContact O-N 3.29Å; M610-L613 HydrophobicContact SD-CD2 4.44Å; M610-Q614 VanDerWaalsContact O-CG 3.31Å; M610-Q614 WeakPolarHBondContact O-CG 3.13Å; M610-Q614 PolarHBondContact O-N 2.91Å; M610-Q614 VanDerWaalsContact O-N 3.07Å; M610-Q614 PolarHBondContact O-NE2 2.9Å; M610-L635 HydrophobicContact SD-CD2 4.25Å; M610-R638 HydrophobicContact CE-CG 4.31Å; M610-A650 HydrophobicContact CB-CB 3.87Å; M610-A650 HydrophobicContact CG-CB 4.2Å; M610-I651 HydrophobicContact CE-CD1 4.25Å; M610-I651 HydrophobicContact CE-CG1 3.67Å; M610-I651 HydrophobicContact CG-CG1 4.5Å; M610-I651 HydrophobicContact SD-CG1 3.79Å |
| 611 | D | 92.8 | Very high | 92.8 | Very high | 90 Ų | 90 | 40.5 Ų | 40.5 | 48% | 0.481 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -73.4 | -43.1 | 174.2 | -67.8 | -24.7 | 0 | 0 | 0 | 112 | S607 L608 F609 L613 Q614 F615 | S607-D611 PolarHBondContact O-N 3.3Å; L608-D611 PolarHBondContact O-N 3.36Å; F609-D611 VanDerWaalsContact C-N 3.29Å; F609-D611 PolarHBondContact O-N 3.28Å; D611-L613 VanDerWaalsContact C-N 3.33Å; D611-L613 PolarHBondContact O-N 3.4Å; D611-Q614 PolarHBondContact O-N 3.48Å; D611-Q614 PolarHBondContact OD1-NE2 3.1Å; D611-F615 PolarHBondContact O-N 2.98Å; D611-F615 VanDerWaalsContact O-N 3.13Å |
| 612 | T | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.6 | -41.8 | 173.7 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | L569 L572 Q573 M576 F594 L608 F609 F615 F616 | L569-T612 HydrophobicContact CD2-CG2 4.09Å; L572-T612 HydrophobicContact CD2-CG2 4.03Å; L572-T612 HydrophobicContact CG-CG2 4.41Å; Q573-T612 HydrophobicContact CG-CG2 4.03Å; Q573-T612 VanDerWaalsContact CG-OG1 3.24Å; Q573-T612 WeakPolarHBondContact CG-OG1 3.39Å; Q573-T612 PolarHBondContact NE2-OG1 3.33Å; M576-T612 HydrophobicContact CE-CG2 3.9Å; F594-T612 HydrophobicContact CZ-CG2 3.9Å; L608-T612 PolarHBondContact O-N 2.93Å; L608-T612 PolarHBondContact O-OG1 3.15Å; F609-T612 PolarHBondContact O-N 3.25Å; T612-F615 PolarHBondContact O-N 3.44Å; T612-F616 VanDerWaalsContact O-CB 3.32Å; T612-F616 WeakPolarHBondContact O-CB 3.4Å; T612-F616 PolarHBondContact O-N 3.14Å |
| 613 | L | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | 179.1 | 177.7 | 62.4 | 0 | 0 | 0 | 111.6 | F594 F598 F609 M610 D611 F616 I617 W627 L631 L635 T654 | F594-L613 HydrophobicContact CD2-CD1 4.15Å; F598-L613 HydrophobicContact CE1-CD2 4.13Å; F598-L613 HydrophobicContact CE2-CD2 4.26Å; F598-L613 HydrophobicContact CZ-CD2 3.51Å; F609-L613 HydrophobicContact CD2-CB 4.47Å; F609-L613 HydrophobicContact CE1-CD2 4.44Å; F609-L613 HydrophobicContact CE2-CB 4.16Å; F609-L613 HydrophobicContact CE2-CD2 4.4Å; F609-L613 HydrophobicContact CZ-CD2 4Å; F609-L613 WeakPolarHBondContact O-CB 3.47Å; F609-L613 PolarHBondContact O-N 3.28Å; M610-L613 HydrophobicContact SD-CD2 4.44Å; D611-L613 VanDerWaalsContact C-N 3.33Å; D611-L613 PolarHBondContact O-N 3.4Å; L613-F616 PolarHBondContact O-N 3.06Å; L613-I617 HydrophobicContact CD1-CD1 3.96Å; L613-I617 HydrophobicContact CD1-CG1 4.13Å; L613-I617 HydrophobicContact CG-CD1 3.88Å; L613-I617 HydrophobicContact CG-CG1 4.48Å; L613-I617 WeakPolarHBondContact O-CB 3.25Å; L613-I617 WeakPolarHBondContact O-CD1 3.49Å; L613-I617 VanDerWaalsContact O-CG1 3.22Å; L613-I617 WeakPolarHBondContact O-CG1 3.39Å; L613-I617 PolarHBondContact O-N 3.34Å; L613-W627 HydrophobicContact CD1-CH2 3.78Å; L613-W627 HydrophobicContact CD1-CZ3 3.82Å; L613-L631 HydrophobicContact CD1-CD1 4.06Å; L613-L631 HydrophobicContact CD2-CD1 4.09Å; L613-L635 HydrophobicContact CD2-CD2 4.43Å; L613-T654 HydrophobicContact CD2-CG2 3.92Å; L613-T654 HydrophobicContact CG-CG2 4.09Å |
| 614 | Q | 94.6 | Very high | 92.8 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 172.4 | -78.7 | 171.9 | 95.4 | 0 | 0 | 111.5 | M610 D611 I617 K618 T654 V657 | M610-Q614 VanDerWaalsContact O-CG 3.31Å; M610-Q614 WeakPolarHBondContact O-CG 3.13Å; M610-Q614 PolarHBondContact O-N 2.91Å; M610-Q614 VanDerWaalsContact O-N 3.07Å; M610-Q614 PolarHBondContact O-NE2 2.9Å; D611-Q614 PolarHBondContact O-N 3.48Å; D611-Q614 PolarHBondContact OD1-NE2 3.1Å; Q614-I617 PolarHBondContact O-N 3.44Å; Q614-K618 WeakPolarHBondContact O-CG 3.12Å; Q614-K618 PolarHBondContact O-N 3.18Å; Q614-K618 VanDerWaalsContact O-N 3.11Å; Q614-T654 HydrophobicContact CG-CG2 4.15Å; Q614-T654 WeakPolarHBondContact CG-OG1 3.44Å; Q614-V657 HydrophobicContact CG-CG2 4.28Å |
| 615 | F | 92.8 | Very high | 92.8 | Very high | 59 Ų | 59 | 37.9 Ų | 37.9 | 26% | 0.259 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.3 | -50.3 | 176 | -169.1 | -76.4 | 0 | 0 | 0 | 111.5 | M576 R577 D611 T612 I617 K618 E619 | M576-F615 HydrophobicContact CB-CD1 4.08Å; M576-F615 HydrophobicContact CB-CE1 3.63Å; M576-F615 HydrophobicContact CB-CZ 4.46Å; M576-F615 HydrophobicContact CE-CB 4.44Å; M576-F615 HydrophobicContact CE-CD1 3.65Å; M576-F615 HydrophobicContact CE-CE1 4.37Å; M576-F615 HydrophobicContact CE-CG 4.3Å; M576-F615 HydrophobicContact SD-CD1 4.06Å; M576-F615 HydrophobicContact SD-CE1 4.48Å; R577-F615 HydrophobicContact CG-CE2 4.01Å; R577-F615 HydrophobicContact CG-CZ 4.15Å; D611-F615 PolarHBondContact O-N 2.98Å; D611-F615 VanDerWaalsContact O-N 3.13Å; T612-F615 PolarHBondContact O-N 3.44Å; F615-I617 VanDerWaalsContact C-N 3.33Å; F615-I617 PolarHBondContact O-N 3.14Å; F615-K618 PolarHBondContact O-N 2.83Å; F615-K618 VanDerWaalsContact O-N 3.09Å; F615-E619 HydrophobicContact CE1-CB 4.33Å; F615-E619 PolarHBondContact O-N 3.24Å; F615-E619 VanDerWaalsContact O-N 3.09Å |
| 616 | F | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.9 | -37.7 | -178.9 | -175.4 | -107.8 | 0 | 0 | 0 | 112.9 | M576 L582 I587 L590 T591 F594 T612 L613 Y620 L624 W627 | M576-F616 HydrophobicContact SD-CB 4.4Å; M576-F616 HydrophobicContact SD-CD2 3.93Å; L582-F616 HydrophobicContact CD1-CD2 4.38Å; L582-F616 HydrophobicContact CD1-CE2 3.99Å; I587-F616 HydrophobicContact CG1-CE2 4.45Å; I587-F616 HydrophobicContact CG2-CZ 3.93Å; L590-F616 HydrophobicContact CB-CE2 4.25Å; L590-F616 HydrophobicContact CB-CZ 4Å; L590-F616 HydrophobicContact CD1-CE2 4.07Å; T591-F616 HydrophobicContact CG2-CE1 3.94Å; T591-F616 HydrophobicContact CG2-CZ 4.23Å; F594-F616 AromaticContact CD2-CD1 3.94Å; F594-F616 HydrophobicContact CD2-CD1 3.94Å; F594-F616 AromaticContact CD2-CE1 3.98Å; F594-F616 HydrophobicContact CD2-CE1 3.98Å; F594-F616 HydrophobicContact CE2-CB 4.08Å; F594-F616 AromaticContact CE2-CD1 3.57Å; F594-F616 HydrophobicContact CE2-CD1 3.57Å; F594-F616 HydrophobicContact CE2-CD2 4.2Å; F594-F616 AromaticContact CE2-CE1 3.88Å; F594-F616 HydrophobicContact CE2-CE1 3.88Å; F594-F616 HydrophobicContact CE2-CE2 4.49Å; F594-F616 AromaticContact CE2-CG 3.72Å; F594-F616 HydrophobicContact CE2-CG 3.72Å; F594-F616 HydrophobicContact CE2-CZ 4.33Å; T612-F616 VanDerWaalsContact O-CB 3.32Å; T612-F616 WeakPolarHBondContact O-CB 3.4Å; T612-F616 PolarHBondContact O-N 3.14Å; L613-F616 PolarHBondContact O-N 3.06Å; F616-Y620 AromaticContact CD2-CD2 3.51Å; F616-Y620 HydrophobicContact CD2-CD2 3.51Å; F616-Y620 AromaticContact CD2-CE2 3.95Å; F616-Y620 HydrophobicContact CD2-CE2 3.95Å; F616-Y620 AromaticContact CE2-CD2 3.87Å; F616-Y620 HydrophobicContact CE2-CD2 3.87Å; F616-Y620 HydrophobicContact CE2-CE2 4.37Å; F616-Y620 HydrophobicContact CG-CD2 4.2Å; F616-Y620 PolarHBondContact O-N 3.36Å; F616-L624 HydrophobicContact CD1-CD1 3.8Å; F616-L624 HydrophobicContact CD1-CD2 4.29Å; F616-L624 HydrophobicContact CE1-CD1 3.88Å; F616-L624 HydrophobicContact CE1-CD2 3.51Å; F616-L624 HydrophobicContact CE1-CG 4.33Å; F616-L624 HydrophobicContact CZ-CD2 3.98Å; F616-W627 HydrophobicContact CE1-CZ3 4.4Å |
| 617 | I | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.7 | -46.3 | 172.4 | -69.3 | 163 | 0 | 0 | 0 | 110.8 | L613 Q614 F615 E619 N621 L631 T654 V657 H661 F662 | L613-I617 HydrophobicContact CD1-CD1 3.96Å; L613-I617 HydrophobicContact CD1-CG1 4.13Å; L613-I617 HydrophobicContact CG-CD1 3.88Å; L613-I617 HydrophobicContact CG-CG1 4.48Å; L613-I617 WeakPolarHBondContact O-CB 3.25Å; L613-I617 WeakPolarHBondContact O-CD1 3.49Å; L613-I617 VanDerWaalsContact O-CG1 3.22Å; L613-I617 WeakPolarHBondContact O-CG1 3.39Å; L613-I617 PolarHBondContact O-N 3.34Å; Q614-I617 PolarHBondContact O-N 3.44Å; F615-I617 VanDerWaalsContact C-N 3.33Å; F615-I617 PolarHBondContact O-N 3.14Å; I617-E619 PolarHBondContact O-N 2.98Å; I617-N621 WeakPolarHBondContact O-CA 3.41Å; I617-N621 VanDerWaalsContact O-CB 3.25Å; I617-N621 WeakPolarHBondContact O-CB 3.28Å; I617-N621 PolarHBondContact O-N 3.27Å; I617-N621 VanDerWaalsContact O-N 3.13Å; I617-L631 HydrophobicContact CD1-CD1 4.43Å; I617-L631 HydrophobicContact CD1-CD2 3.86Å; I617-L631 HydrophobicContact CG1-CD2 4.03Å; I617-T654 HydrophobicContact CD1-CG2 3.72Å; I617-V657 HydrophobicContact CB-CG1 4.28Å; I617-V657 HydrophobicContact CG2-CG1 3.87Å; I617-H661 HydrophobicContact CG2-CB 4.4Å; I617-F662 HydrophobicContact CG2-CE2 3.78Å |
| 618 | K | 93.2 | Very high | 92.9 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 26% | 0.261 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.9 | -52.2 | -177.9 | -70.5 | -164.8 | -175.4 | -170.6 | 0 | 111.6 | E10 Q614 F615 N621 V657 | E10-K618 IonicContact OE2-NZ 2.81Å; E10-K618 PolarHBondContact OE2-NZ 3Å; Q614-K618 WeakPolarHBondContact O-CG 3.12Å; Q614-K618 PolarHBondContact O-N 3.18Å; Q614-K618 VanDerWaalsContact O-N 3.11Å; F615-K618 PolarHBondContact O-N 2.83Å; F615-K618 VanDerWaalsContact O-N 3.09Å; K618-N621 PolarHBondContact O-ND2 3.43Å; K618-V657 HydrophobicContact CG-CG1 3.71Å |
| 619 | E | 90.2 | Very high | 92.9 | Very high | 114 Ų | 114 | 43.6 Ų | 43.6 | 53% | 0.533 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.8 | -53.2 | -175.4 | -163.7 | 66.8 | -162.9 | 0 | 0 | 111.9 | F615 I617 | F615-E619 HydrophobicContact CE1-CB 4.33Å; F615-E619 PolarHBondContact O-N 3.24Å; F615-E619 VanDerWaalsContact O-N 3.09Å; I617-E619 PolarHBondContact O-N 2.98Å |
| 620 | Y | 91.3 | Very high | 92.8 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -101.3 | 14.4 | -167.6 | -53.3 | -72.6 | 0 | 0 | 0 | 114.5 | M576 L582 I587 F616 P622 L623 L624 | M576-Y620 HydrophobicContact CG-CE2 4.3Å; M576-Y620 HydrophobicContact SD-CE2 3.91Å; L582-Y620 HydrophobicContact CB-CE1 4.31Å; L582-Y620 HydrophobicContact CD1-CD2 4.36Å; L582-Y620 HydrophobicContact CD1-CE1 4.47Å; L582-Y620 HydrophobicContact CD1-CE2 3.64Å; L582-Y620 HydrophobicContact CG-CE2 4.43Å; I587-Y620 HydrophobicContact CD1-CD1 3.68Å; I587-Y620 HydrophobicContact CD1-CE1 4.24Å; I587-Y620 HydrophobicContact CD1-CG 4.05Å; F616-Y620 AromaticContact CD2-CD2 3.51Å; F616-Y620 HydrophobicContact CD2-CD2 3.51Å; F616-Y620 AromaticContact CD2-CE2 3.95Å; F616-Y620 HydrophobicContact CD2-CE2 3.95Å; F616-Y620 AromaticContact CE2-CD2 3.87Å; F616-Y620 HydrophobicContact CE2-CD2 3.87Å; F616-Y620 HydrophobicContact CE2-CE2 4.37Å; F616-Y620 HydrophobicContact CG-CD2 4.2Å; F616-Y620 PolarHBondContact O-N 3.36Å; Y620-P622 VanDerWaalsContact C-N 3.27Å; Y620-P622 VanDerWaalsContact O-CD 3.31Å; Y620-P622 WeakPolarHBondContact O-CD 3.43Å; Y620-L623 PolarHBondContact O-N 2.96Å; Y620-L624 WeakPolarHBondContact O-CG 3.29Å; Y620-L624 PolarHBondContact O-N 3.39Å |
| 621 | N | 90.3 | Very high | 92.9 | Very high | 38 Ų | 38 | 45.7 Ų | 45.7 | 20% | 0.203 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | -34 | 180 | 69.1 | 83.1 | 0 | 0 | 0 | 116.6 | I617 K618 L623 H661 F662 | I617-N621 WeakPolarHBondContact O-CA 3.41Å; I617-N621 VanDerWaalsContact O-CB 3.25Å; I617-N621 WeakPolarHBondContact O-CB 3.28Å; I617-N621 PolarHBondContact O-N 3.27Å; I617-N621 VanDerWaalsContact O-N 3.13Å; K618-N621 PolarHBondContact O-ND2 3.43Å; N621-L623 VanDerWaalsContact C-N 3.3Å; N621-L623 PolarHBondContact O-N 2.94Å; N621-H661 HydrophobicContact CB-CB 4Å; N621-F662 HydrophobicContact CB-CE1 4.49Å; N621-F662 WeakPolarHBondContact O-CE1 3.42Å |
| 622 | P | 89.1 | Confident | 93 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 48% | 0.481 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -31.8 | 179.9 | -20.4 | 35.2 | 0 | 0 | 0 | 112.9 | Y620 R625 | Y620-P622 VanDerWaalsContact C-N 3.27Å; Y620-P622 VanDerWaalsContact O-CD 3.31Å; Y620-P622 WeakPolarHBondContact O-CD 3.43Å; P622-R625 WeakPolarHBondContact O-CD 3.44Å; P622-R625 WeakPolarHBondContact O-CG 3.43Å |
| 623 | L | 90.4 | Very high | 92.9 | Very high | 94 Ų | 94 | 42 Ų | 42 | 49% | 0.492 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -21.7 | -176.9 | -59.8 | 175 | 0 | 0 | 0 | 112.4 | I587 Y620 N621 R625 | I587-L623 HydrophobicContact CD1-CD1 3.51Å; Y620-L623 PolarHBondContact O-N 2.96Å; N621-L623 VanDerWaalsContact C-N 3.3Å; N621-L623 PolarHBondContact O-N 2.94Å; L623-R625 PolarHBondContact O-N 3.39Å |
| 624 | L | 92.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | trans | -83.7 | 12.2 | -177.7 | -63.1 | 175.1 | 0 | 0 | 0 | 114.2 | I587 T591 F616 Y620 D626 W627 L628 F662 | I587-L624 HydrophobicContact CG2-CD2 3.8Å; T591-L624 HydrophobicContact CG2-CD2 3.47Å; T591-L624 VanDerWaalsContact CG2-CD2 3.47Å; F616-L624 HydrophobicContact CD1-CD1 3.8Å; F616-L624 HydrophobicContact CD1-CD2 4.29Å; F616-L624 HydrophobicContact CE1-CD1 3.88Å; F616-L624 HydrophobicContact CE1-CD2 3.51Å; F616-L624 HydrophobicContact CE1-CG 4.33Å; F616-L624 HydrophobicContact CZ-CD2 3.98Å; Y620-L624 WeakPolarHBondContact O-CG 3.29Å; Y620-L624 PolarHBondContact O-N 3.39Å; L624-D626 PolarHBondContact O-N 3.43Å; L624-W627 HydrophobicContact CD2-CE3 4.16Å; L624-W627 PolarHBondContact O-N 2.98Å; L624-L628 PolarHBondContact O-N 2.88Å; L624-F662 HydrophobicContact CB-CE1 4Å; L624-F662 HydrophobicContact CB-CZ 3.75Å | ||
| 625 | R | 89.9 | Confident | 92.8 | Very high | 145 Ų | 145 | 45.6 Ų | 45.6 | 55% | 0.547 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -42.5 | -173 | -73 | -180 | 177.8 | -162.5 | 2.6 | 113.5 | P622 L623 W627 L628 | P622-R625 WeakPolarHBondContact O-CD 3.44Å; P622-R625 WeakPolarHBondContact O-CG 3.43Å; L623-R625 PolarHBondContact O-N 3.39Å; R625-W627 VanDerWaalsContact C-N 3.29Å; R625-W627 PolarHBondContact O-N 2.99Å; R625-L628 WeakPolarHBondContact O-CB 3.18Å; R625-L628 PolarHBondContact O-N 2.79Å |
| 626 | D | 90.8 | Very high | 92.8 | Very high | 130 Ų | 130 | 42.8 Ų | 42.8 | 70% | 0.695 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -26 | 179.6 | -56.3 | -53.2 | 0 | 0 | 0 | 111.8 | L624 L628 | L624-D626 PolarHBondContact O-N 3.43Å; D626-L628 VanDerWaalsContact C-N 3.29Å; D626-L628 PolarHBondContact O-N 3.41Å |
| 627 | W | 93.9 | Very high | 92.8 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 8% | 0.076 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.6 | 172.7 | -164.4 | 56.9 | 0 | 0 | 0 | 113.3 | T591 F594 S595 F598 L613 F616 L624 R625 Y629 T630 L631 | T591-W627 HydrophobicContact CG2-CB 4.31Å; T591-W627 HydrophobicContact CG2-CD2 3.59Å; T591-W627 HydrophobicContact CG2-CE3 3.67Å; T591-W627 HydrophobicContact CG2-CG 3.89Å; T591-W627 HydrophobicContact CG2-CZ2 4.48Å; T591-W627 HydrophobicContact CG2-CZ3 4.15Å; T591-W627 WeakPolarHBondContact O-CZ2 3.42Å; F594-W627 HydrophobicContact CB-CH2 3.8Å; F594-W627 HydrophobicContact CB-CZ2 3.94Å; F594-W627 HydrophobicContact CD2-CH2 4.13Å; S595-W627 PolarHBondContact OG-NE1 3.12Å; F598-W627 HydrophobicContact CE2-CH2 4.32Å; F598-W627 HydrophobicContact CE2-CZ2 4.26Å; L613-W627 HydrophobicContact CD1-CH2 3.78Å; L613-W627 HydrophobicContact CD1-CZ3 3.82Å; F616-W627 HydrophobicContact CE1-CZ3 4.4Å; L624-W627 HydrophobicContact CD2-CE3 4.16Å; L624-W627 PolarHBondContact O-N 2.98Å; R625-W627 VanDerWaalsContact C-N 3.29Å; R625-W627 PolarHBondContact O-N 2.99Å; W627-Y629 PolarHBondContact O-N 3.38Å; W627-T630 WeakPolarHBondContact O-CB 3.34Å; W627-T630 PolarHBondContact O-N 3.07Å; W627-L631 HydrophobicContact CD2-CB 4.02Å; W627-L631 HydrophobicContact CE3-CB 3.92Å; W627-L631 HydrophobicContact CE3-CD1 4.31Å; W627-L631 HydrophobicContact CE3-CD2 3.87Å; W627-L631 HydrophobicContact CE3-CG 4.24Å; W627-L631 HydrophobicContact CH2-CD1 3.88Å; W627-L631 HydrophobicContact CZ3-CB 4.25Å; W627-L631 HydrophobicContact CZ3-CD1 3.77Å; W627-L631 HydrophobicContact CZ3-CD2 3.91Å; W627-L631 HydrophobicContact CZ3-CG 4.18Å; W627-L631 VanDerWaalsContact O-CB 3.25Å; W627-L631 WeakPolarHBondContact O-CB 3.36Å; W627-L631 PolarHBondContact O-N 3.42Å |
| 628 | L | 94.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.2 | -45.9 | -172.7 | -180 | 58.4 | 0 | 0 | 0 | 113.9 | L624 R625 D626 L632 L658 F662 T666 Q667 | L624-L628 PolarHBondContact O-N 2.88Å; R625-L628 WeakPolarHBondContact O-CB 3.18Å; R625-L628 PolarHBondContact O-N 2.79Å; D626-L628 VanDerWaalsContact C-N 3.29Å; D626-L628 PolarHBondContact O-N 3.41Å; L628-L632 VanDerWaalsContact O-CB 3.23Å; L628-L632 WeakPolarHBondContact O-CB 3.38Å; L628-L632 PolarHBondContact O-N 3.18Å; L628-L658 HydrophobicContact CD1-CD1 4.37Å; L628-L658 HydrophobicContact CD1-CD2 3.72Å; L628-L658 HydrophobicContact CD1-CG 4.08Å; L628-F662 HydrophobicContact CB-CE1 4.49Å; L628-F662 HydrophobicContact CD1-CB 4.06Å; L628-F662 HydrophobicContact CD1-CD1 3.9Å; L628-F662 HydrophobicContact CD1-CD2 3.58Å; L628-F662 HydrophobicContact CD1-CE1 4.19Å; L628-F662 HydrophobicContact CD1-CE2 3.88Å; L628-F662 HydrophobicContact CD1-CG 3.57Å; L628-F662 HydrophobicContact CD1-CZ 4.17Å; L628-F662 HydrophobicContact CD2-CB 4.03Å; L628-F662 HydrophobicContact CD2-CD1 4Å; L628-F662 HydrophobicContact CD2-CG 4.08Å; L628-F662 HydrophobicContact CG-CD1 4.38Å; L628-F662 HydrophobicContact CG-CG 4.41Å; L628-T666 HydrophobicContact CD2-CG2 3.9Å; L628-Q667 HydrophobicContact CD2-CG 4.29Å |
| 629 | Y | 94.2 | Very high | 92.6 | Very high | 44 Ų | 44 | 45.5 Ų | 45.5 | 17% | 0.173 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.4 | -51.6 | 178.2 | -179.1 | -114.7 | 0 | 0 | 0 | 110.7 | W627 L632 I633 H673 F674 D677 | W627-Y629 PolarHBondContact O-N 3.38Å; Y629-L632 PolarHBondContact O-N 2.94Å; Y629-I633 HydrophobicContact CD1-CD1 3.85Å; Y629-I633 HydrophobicContact CD2-CD1 3.82Å; Y629-I633 HydrophobicContact CE1-CD1 3.46Å; Y629-I633 VanDerWaalsContact CE1-CD1 3.46Å; Y629-I633 HydrophobicContact CE2-CD1 3.42Å; Y629-I633 VanDerWaalsContact CE2-CD1 3.42Å; Y629-I633 HydrophobicContact CE2-CG1 4.45Å; Y629-I633 HydrophobicContact CG-CD1 4.02Å; Y629-I633 WeakPolarHBondContact O-CB 3.5Å; Y629-I633 VanDerWaalsContact O-CG1 3.27Å; Y629-I633 WeakPolarHBondContact O-CG1 3.47Å; Y629-I633 PolarHBondContact O-N 2.94Å; Y629-H673 HydrophobicContact CE2-CB 4.1Å; Y629-H673 AromaticContact CE2-CD2 3.47Å; Y629-H673 VanDerWaalsContact CE2-CD2 3.47Å; Y629-H673 WeakPolarHBondContact CE2-CD2 3.23Å; Y629-H673 AromaticContact CZ-CD2 3.41Å; Y629-H673 VanDerWaalsContact CZ-CD2 3.41Å; Y629-F674 HydrophobicContact CE2-CB 4.09Å; Y629-D677 PolarHBondContact OH-OD2 3.12Å |
| 630 | T | 93.8 | Very high | 92.6 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 28% | 0.282 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 179.7 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | W627 R634 | W627-T630 WeakPolarHBondContact O-CB 3.34Å; W627-T630 PolarHBondContact O-N 3.07Å; T630-R634 WeakPolarHBondContact O-CB 3.44Å; T630-R634 WeakPolarHBondContact O-CG 3.44Å; T630-R634 PolarHBondContact O-N 3.43Å |
| 631 | L | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.5 | -50 | 177.2 | 170.8 | 59.4 | 0 | 0 | 0 | 111.6 | F598 L613 I617 W627 I633 R634 L635 L658 F662 | F598-L631 HydrophobicContact CE2-CD1 4.07Å; F598-L631 HydrophobicContact CZ-CD1 3.75Å; L613-L631 HydrophobicContact CD1-CD1 4.06Å; L613-L631 HydrophobicContact CD2-CD1 4.09Å; I617-L631 HydrophobicContact CD1-CD1 4.43Å; I617-L631 HydrophobicContact CD1-CD2 3.86Å; I617-L631 HydrophobicContact CG1-CD2 4.03Å; W627-L631 HydrophobicContact CD2-CB 4.02Å; W627-L631 HydrophobicContact CE3-CB 3.92Å; W627-L631 HydrophobicContact CE3-CD1 4.31Å; W627-L631 HydrophobicContact CE3-CD2 3.87Å; W627-L631 HydrophobicContact CE3-CG 4.24Å; W627-L631 HydrophobicContact CH2-CD1 3.88Å; W627-L631 HydrophobicContact CZ3-CB 4.25Å; W627-L631 HydrophobicContact CZ3-CD1 3.77Å; W627-L631 HydrophobicContact CZ3-CD2 3.91Å; W627-L631 HydrophobicContact CZ3-CG 4.18Å; W627-L631 VanDerWaalsContact O-CB 3.25Å; W627-L631 WeakPolarHBondContact O-CB 3.36Å; W627-L631 PolarHBondContact O-N 3.42Å; L631-I633 VanDerWaalsContact C-N 3.34Å; L631-I633 PolarHBondContact O-N 2.98Å; L631-R634 PolarHBondContact O-N 3.41Å; L631-L635 HydrophobicContact CD1-CD1 3.75Å; L631-L635 HydrophobicContact CD1-CG 4.22Å; L631-L635 HydrophobicContact CG-CD1 4.05Å; L631-L635 WeakPolarHBondContact O-CB 3.36Å; L631-L635 WeakPolarHBondContact O-CG 3.26Å; L631-L635 PolarHBondContact O-N 3.35Å; L631-L658 HydrophobicContact CD2-CD1 3.67Å; L631-L658 HydrophobicContact CD2-CG 4.49Å; L631-L658 HydrophobicContact CG-CD1 3.64Å; L631-F662 HydrophobicContact CD2-CE2 4.3Å |
| 632 | L | 94.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.5 | -45.5 | 178.9 | 177.4 | 59.6 | 0 | 0 | 0 | 111.1 | L628 Y629 L635 L636 L655 L658 Y693 | L628-L632 VanDerWaalsContact O-CB 3.23Å; L628-L632 WeakPolarHBondContact O-CB 3.38Å; L628-L632 PolarHBondContact O-N 3.18Å; Y629-L632 PolarHBondContact O-N 2.94Å; L632-L635 PolarHBondContact O-N 3.13Å; L632-L636 HydrophobicContact CD1-CD1 4.13Å; L632-L636 HydrophobicContact CD1-CG 4.3Å; L632-L636 HydrophobicContact CG-CD1 4.12Å; L632-L636 WeakPolarHBondContact O-CB 3.35Å; L632-L636 VanDerWaalsContact O-CG 3.28Å; L632-L636 WeakPolarHBondContact O-CG 3.49Å; L632-L636 PolarHBondContact O-N 2.87Å; L632-L655 HydrophobicContact CD1-CD2 3.82Å; L632-L658 HydrophobicContact CD1-CD2 4.42Å; L632-Y693 HydrophobicContact CD1-CD1 4.1Å; L632-Y693 HydrophobicContact CD1-CD2 4.38Å; L632-Y693 HydrophobicContact CD1-CE1 3.68Å; L632-Y693 HydrophobicContact CD1-CE2 3.98Å; L632-Y693 HydrophobicContact CD1-CG 4.43Å; L632-Y693 HydrophobicContact CD2-CE1 4.21Å |
| 633 | I | 93.1 | Very high | 92.1 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 178.4 | -71.6 | 173.1 | 0 | 0 | 0 | 111.6 | Y629 L631 L635 L636 Y637 F674 | Y629-I633 HydrophobicContact CD1-CD1 3.85Å; Y629-I633 HydrophobicContact CD2-CD1 3.82Å; Y629-I633 HydrophobicContact CE1-CD1 3.46Å; Y629-I633 VanDerWaalsContact CE1-CD1 3.46Å; Y629-I633 HydrophobicContact CE2-CD1 3.42Å; Y629-I633 VanDerWaalsContact CE2-CD1 3.42Å; Y629-I633 HydrophobicContact CE2-CG1 4.45Å; Y629-I633 HydrophobicContact CG-CD1 4.02Å; Y629-I633 WeakPolarHBondContact O-CB 3.5Å; Y629-I633 VanDerWaalsContact O-CG1 3.27Å; Y629-I633 WeakPolarHBondContact O-CG1 3.47Å; Y629-I633 PolarHBondContact O-N 2.94Å; L631-I633 VanDerWaalsContact C-N 3.34Å; L631-I633 PolarHBondContact O-N 2.98Å; I633-L635 VanDerWaalsContact C-N 3.33Å; I633-L635 PolarHBondContact O-N 3.34Å; I633-L636 PolarHBondContact O-N 2.85Å; I633-Y637 HydrophobicContact CG2-CD2 3.64Å; I633-Y637 HydrophobicContact CG2-CE2 3.82Å; I633-Y637 WeakPolarHBondContact O-CD2 3.48Å; I633-Y637 PolarHBondContact O-N 2.88Å; I633-F674 HydrophobicContact CB-CE2 4.27Å; I633-F674 HydrophobicContact CD1-CB 4.29Å; I633-F674 HydrophobicContact CD1-CD2 3.31Å; I633-F674 HydrophobicContact CD1-CE2 3.81Å; I633-F674 HydrophobicContact CD1-CG 4.09Å; I633-F674 HydrophobicContact CG1-CB 4.47Å; I633-F674 HydrophobicContact CG1-CD2 3.45Å; I633-F674 VanDerWaalsContact CG1-CD2 3.45Å; I633-F674 HydrophobicContact CG1-CE2 3.64Å; I633-F674 HydrophobicContact CG1-CG 4.02Å; I633-F674 HydrophobicContact CG1-CZ 4.41Å; I633-F674 HydrophobicContact CG2-CD2 4.37Å; I633-F674 HydrophobicContact CG2-CE2 3.75Å; I633-F674 HydrophobicContact CG2-CZ 4.44Å |
| 634 | R | 94 | Very high | 92 | Very high | 91 Ų | 91 | 43.7 Ų | 43.7 | 34% | 0.343 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.8 | -37.2 | 178.4 | -77 | 179.5 | 163.6 | 126.6 | 5.9 | 112.1 | S595 F598 T630 L631 R638 | S595-R634 PolarHBondContact O-NE 3.5Å; S595-R634 PolarHBondContact OG-NH1 2.8Å; F598-R634 HydrophobicContact CB-CB 4.31Å; F598-R634 HydrophobicContact CD1-CB 4Å; F598-R634 HydrophobicContact CD2-CB 3.69Å; F598-R634 HydrophobicContact CD2-CG 4.29Å; F598-R634 HydrophobicContact CE1-CB 4.22Å; F598-R634 HydrophobicContact CE2-CB 3.91Å; F598-R634 HydrophobicContact CG-CB 3.74Å; F598-R634 HydrophobicContact CG-CG 4.46Å; F598-R634 HydrophobicContact CZ-CB 4.16Å; T630-R634 WeakPolarHBondContact O-CB 3.44Å; T630-R634 WeakPolarHBondContact O-CG 3.44Å; T630-R634 PolarHBondContact O-N 3.43Å; L631-R634 PolarHBondContact O-N 3.41Å; R634-R638 VanDerWaalsContact O-CB 3.29Å; R634-R638 WeakPolarHBondContact O-CB 3.37Å; R634-R638 PolarHBondContact O-N 3.27Å |
| 635 | L | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.5 | -47.9 | 171 | -75.1 | 163.1 | 0 | 0 | 0 | 112.1 | F598 M610 L613 L631 L632 I633 R638 Q639 I651 T654 L655 L658 | F598-L635 HydrophobicContact CE1-CD2 3.75Å; F598-L635 HydrophobicContact CE1-CG 3.86Å; F598-L635 HydrophobicContact CZ-CD2 4.11Å; F598-L635 HydrophobicContact CZ-CG 3.93Å; M610-L635 HydrophobicContact SD-CD2 4.25Å; L613-L635 HydrophobicContact CD2-CD2 4.43Å; L631-L635 HydrophobicContact CD1-CD1 3.75Å; L631-L635 HydrophobicContact CD1-CG 4.22Å; L631-L635 HydrophobicContact CG-CD1 4.05Å; L631-L635 WeakPolarHBondContact O-CB 3.36Å; L631-L635 WeakPolarHBondContact O-CG 3.26Å; L631-L635 PolarHBondContact O-N 3.35Å; L632-L635 PolarHBondContact O-N 3.13Å; I633-L635 VanDerWaalsContact C-N 3.33Å; I633-L635 PolarHBondContact O-N 3.34Å; L635-R638 PolarHBondContact O-N 2.95Å; L635-Q639 WeakPolarHBondContact O-CB 3.28Å; L635-Q639 PolarHBondContact O-N 3.24Å; L635-I651 HydrophobicContact CB-CG2 4.46Å; L635-I651 HydrophobicContact CD2-CG2 3.99Å; L635-T654 HydrophobicContact CD1-CG2 3.92Å; L635-T654 HydrophobicContact CD2-CG2 3.82Å; L635-L655 HydrophobicContact CB-CD2 3.75Å; L635-L655 HydrophobicContact CB-CG 4.13Å; L635-L655 HydrophobicContact CD1-CD2 3.9Å; L635-L655 HydrophobicContact CD1-CG 4.33Å; L635-L655 HydrophobicContact CG-CD2 4.41Å; L635-L658 HydrophobicContact CD1-CD1 3.63Å |
| 636 | L | 93.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 179.6 | -72.1 | 172.6 | 0 | 0 | 0 | 112.7 | L632 I633 S640 F674 C689 L690 | L632-L636 HydrophobicContact CD1-CD1 4.13Å; L632-L636 HydrophobicContact CD1-CG 4.3Å; L632-L636 HydrophobicContact CG-CD1 4.12Å; L632-L636 WeakPolarHBondContact O-CB 3.35Å; L632-L636 VanDerWaalsContact O-CG 3.28Å; L632-L636 WeakPolarHBondContact O-CG 3.49Å; L632-L636 PolarHBondContact O-N 2.87Å; I633-L636 PolarHBondContact O-N 2.85Å; L636-S640 WeakPolarHBondContact O-CB 3.5Å; L636-S640 PolarHBondContact O-N 3.4Å; L636-S640 VanDerWaalsContact O-N 3.13Å; L636-F674 HydrophobicContact CD1-CE1 4.41Å; L636-C689 HydrophobicContact CD2-CB 3.84Å; L636-L690 HydrophobicContact CD1-CB 4.26Å; L636-L690 HydrophobicContact CD1-CD1 3.82Å |
| 637 | Y | 93.1 | Very high | 91.6 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 22% | 0.216 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -47.2 | 173 | -89.4 | -78.7 | 0 | 0 | 0 | 111.2 | I633 Q639 S640 H641 F674 H680 T681 V686 | I633-Y637 HydrophobicContact CG2-CD2 3.64Å; I633-Y637 HydrophobicContact CG2-CE2 3.82Å; I633-Y637 WeakPolarHBondContact O-CD2 3.48Å; I633-Y637 PolarHBondContact O-N 2.88Å; Y637-Q639 PolarHBondContact O-N 3.48Å; Y637-S640 WeakPolarHBondContact O-CB 3.46Å; Y637-S640 PolarHBondContact O-N 3.1Å; Y637-S640 VanDerWaalsContact O-N 3.13Å; Y637-S640 PolarHBondContact O-OG 2.94Å; Y637-H641 PolarHBondContact O-CD2 3.37Å; Y637-H641 VanDerWaalsContact O-CD2 3.26Å; Y637-H641 PolarHBondContact O-N 3.39Å; Y637-F674 HydrophobicContact CD2-CZ 4.39Å; Y637-F674 AromaticContact CE2-CE2 3.85Å; Y637-F674 HydrophobicContact CE2-CE2 3.85Å; Y637-F674 AromaticContact CE2-CZ 3.78Å; Y637-F674 HydrophobicContact CE2-CZ 3.78Å; Y637-H680 AromaticContact CE2-CD2 3.75Å; Y637-T681 PolarHBondContact OH-N 3.1Å; Y637-V686 HydrophobicContact CD1-CG2 3.68Å; Y637-V686 HydrophobicContact CE1-CG2 3.81Å; Y637-V686 HydrophobicContact CG-CG2 4.29Å |
| 638 | R | 91.9 | Very high | 91.5 | Very high | 41 Ų | 41 | 41.1 Ų | 41.1 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 177.9 | -170.5 | 70.4 | -172.7 | -145.3 | 9.2 | 110.8 | F598 D600 M610 R634 L635 S640 H641 E642 I651 | F598-R638 HydrophobicContact CD1-CB 4.47Å; F598-R638 WeakPolarHBondContact O-CD 3.35Å; F598-R638 PolarHBondContact O-NH1 3.36Å; D600-R638 PolarHBondContact O-NH1 3.13Å; D600-R638 PolarHBondContact O-NH2 2.9Å; M610-R638 HydrophobicContact CE-CG 4.31Å; R634-R638 VanDerWaalsContact O-CB 3.29Å; R634-R638 WeakPolarHBondContact O-CB 3.37Å; R634-R638 PolarHBondContact O-N 3.27Å; L635-R638 PolarHBondContact O-N 2.95Å; R638-S640 PolarHBondContact O-N 3.37Å; R638-H641 PolarHBondContact O-N 3.36Å; R638-H641 VanDerWaalsContact O-N 3.11Å; R638-E642 IonicContact CZ-OE2 2.7Å; R638-E642 VanDerWaalsContact CZ-OE2 3.29Å; R638-E642 IonicContact NE-OE2 3.74Å; R638-E642 PolarHBondContact NE-OE2 3.21Å; R638-E642 IonicContact NH2-OE2 2.68Å; R638-E642 PolarHBondContact NH2-OE2 2.95Å; R638-E642 WeakPolarHBondContact O-CB 3.28Å; R638-E642 PolarHBondContact O-N 2.82Å; R638-I651 HydrophobicContact CB-CD1 4.17Å; R638-I651 HydrophobicContact CG-CD1 3.56Å; R638-I651 HydrophobicContact CG-CG1 4.47Å |
| 639 | Q | 92.6 | Very high | 91.3 | Very high | 21 Ų | 21 | 46.5 Ų | 46.5 | 10% | 0.098 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.4 | -38.3 | 176.8 | -161.9 | -172.8 | -6.2 | 0 | 0 | 112.5 | L635 Y637 H641 I651 L655 C689 | L635-Q639 WeakPolarHBondContact O-CB 3.28Å; L635-Q639 PolarHBondContact O-N 3.24Å; Y637-Q639 PolarHBondContact O-N 3.48Å; Q639-H641 VanDerWaalsContact C-N 3.35Å; Q639-H641 PolarHBondContact O-N 3.21Å; Q639-I651 HydrophobicContact CB-CG2 3.74Å; Q639-I651 HydrophobicContact CG-CG2 4.09Å; Q639-L655 VanDerWaalsContact OE1-CD1 3.27Å; Q639-C689 VanDerWaalsContact CD-SG 3.59Å |
| 640 | S | 90.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.028 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.8 | -25 | -178.1 | 82.8 | 0 | 0 | 0 | 0 | 114.7 | L636 Y637 R638 R685 V686 | L636-S640 WeakPolarHBondContact O-CB 3.5Å; L636-S640 PolarHBondContact O-N 3.4Å; L636-S640 VanDerWaalsContact O-N 3.13Å; Y637-S640 WeakPolarHBondContact O-CB 3.46Å; Y637-S640 PolarHBondContact O-N 3.1Å; Y637-S640 VanDerWaalsContact O-N 3.13Å; Y637-S640 PolarHBondContact O-OG 2.94Å; R638-S640 PolarHBondContact O-N 3.37Å; S640-R685 WeakPolarHBondContact O-CD 3.22Å; S640-R685 PolarHBondContact O-NH1 2.94Å; S640-V686 VanDerWaalsContact CB-CG2 3.48Å; S640-V686 WeakPolarHBondContact OG-CG2 3.47Å |
| 641 | H | 89.5 | Confident | 91.2 | Very high | 117 Ų | 117 | 43 Ų | 43 | 54% | 0.542 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -107.4 | -22.3 | -176.8 | -71.4 | -70.8 | 0 | 0 | 0 | 113.2 | Y637 R638 Q639 N683 | Y637-H641 PolarHBondContact O-CD2 3.37Å; Y637-H641 VanDerWaalsContact O-CD2 3.26Å; Y637-H641 PolarHBondContact O-N 3.39Å; R638-H641 PolarHBondContact O-N 3.36Å; R638-H641 VanDerWaalsContact O-N 3.11Å; Q639-H641 VanDerWaalsContact C-N 3.35Å; Q639-H641 PolarHBondContact O-N 3.21Å; H641-N683 PolarHBondContact NE2-ND2 3.24Å |
| 642 | E | 87.6 | Confident | 91.1 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | trans | -67.1 | 131.8 | -177.1 | -173.9 | 56.2 | -109.2 | 0 | 0 | 112.1 | R638 L644 H647 Q648 I651 | R638-E642 IonicContact CZ-OE2 2.7Å; R638-E642 VanDerWaalsContact CZ-OE2 3.29Å; R638-E642 IonicContact NE-OE2 3.74Å; R638-E642 PolarHBondContact NE-OE2 3.21Å; R638-E642 IonicContact NH2-OE2 2.68Å; R638-E642 PolarHBondContact NH2-OE2 2.95Å; R638-E642 WeakPolarHBondContact O-CB 3.28Å; R638-E642 PolarHBondContact O-N 2.82Å; E642-L644 PolarHBondContact OE1-N 3.09Å; E642-H647 HydrophobicContact CG-CB 3.35Å; E642-H647 IonicContact OE1-CG 2.8Å; E642-H647 IonicContact OE1-ND1 3.21Å; E642-H647 PolarHBondContact OE1-ND1 3.3Å; E642-H647 IonicContact OE2-CG 3.54Å; E642-H647 IonicContact OE2-ND1 2.81Å; E642-H647 PolarHBondContact OE2-ND1 3.34Å; E642-H647 VanDerWaalsContact OE2-ND1 3.09Å; E642-Q648 HydrophobicContact CB-CG 4.31Å; E642-Q648 HydrophobicContact CG-CG 4.13Å; E642-Q648 PolarHBondContact O-NE2 2.92Å; E642-I651 HydrophobicContact CB-CD1 4.03Å; E642-I651 HydrophobicContact CG-CD1 3.96Å | ||
| 643 | A | 83.6 | Confident | 91 | Very high | 88 Ų | 88 | 49.8 Ų | 49.8 | 73% | 0.727 | 26% | 0.261 | S | S | * | . | trans | -108.9 | -19.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 644 | L | 88.6 | Confident | 91.1 | Very high | 80 Ų | 80 | 49.2 Ų | 49.2 | 42% | 0.419 | 26% | 0.259 | S | S | . | . | trans | -82.4 | 120.2 | 178.5 | -72.3 | 162.8 | 0 | 0 | 0 | 109.8 | E642 S646 H647 Q648 | E642-L644 PolarHBondContact OE1-N 3.09Å; L644-S646 PolarHBondContact O-N 2.91Å; L644-H647 HydrophobicContact CB-CB 4.17Å; L644-H647 WeakPolarHBondContact CD1-CE1 3.42Å; L644-H647 PolarHBondContact O-N 2.82Å; L644-Q648 WeakPolarHBondContact O-CG 3.35Å; L644-Q648 PolarHBondContact O-N 3.03Å | ||
| 645 | S | 86.4 | Confident | 91.2 | Very high | 94 Ų | 94 | 45.3 Ų | 45.3 | 66% | 0.657 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.1 | -28.4 | -179 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | K649 | S645-K649 VanDerWaalsContact O-CB 3.28Å; S645-K649 WeakPolarHBondContact O-CB 3.44Å; S645-K649 PolarHBondContact O-N 2.85Å |
| 646 | S | 87.5 | Confident | 91.1 | Very high | 68 Ų | 68 | 48.3 Ų | 48.3 | 48% | 0.476 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -49.7 | 170.2 | 49.9 | 0 | 0 | 0 | 0 | 112 | L644 K649 A650 | L644-S646 PolarHBondContact O-N 2.91Å; S646-K649 PolarHBondContact O-N 3.47Å; S646-A650 WeakPolarHBondContact O-CB 3.44Å; S646-A650 PolarHBondContact O-N 3.02Å |
| 647 | H | 90.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67 | -41.1 | 175.6 | -63.3 | 171.7 | 0 | 0 | 0 | 111.8 | S603 S607 E642 L644 K649 A650 I651 | S603-H647 PolarHBondContact O-NE2 3.27Å; S603-H647 PolarHBondContact OG-CE1 3.06Å; S603-H647 VanDerWaalsContact OG-CE1 3.27Å; S603-H647 PolarHBondContact OG-NE2 3.3Å; S607-H647 PolarHBondContact OG-CD2 3.13Å; S607-H647 VanDerWaalsContact OG-CD2 3.31Å; S607-H647 PolarHBondContact OG-NE2 2.9Å; E642-H647 HydrophobicContact CG-CB 3.35Å; E642-H647 IonicContact OE1-CG 2.8Å; E642-H647 IonicContact OE1-ND1 3.21Å; E642-H647 PolarHBondContact OE1-ND1 3.3Å; E642-H647 IonicContact OE2-CG 3.54Å; E642-H647 IonicContact OE2-ND1 2.81Å; E642-H647 PolarHBondContact OE2-ND1 3.34Å; E642-H647 VanDerWaalsContact OE2-ND1 3.09Å; L644-H647 HydrophobicContact CB-CB 4.17Å; L644-H647 WeakPolarHBondContact CD1-CE1 3.42Å; L644-H647 PolarHBondContact O-N 2.82Å; H647-K649 VanDerWaalsContact C-N 3.32Å; H647-K649 PolarHBondContact O-N 3.17Å; H647-A650 CarbonylContact O-C 3.54Å; H647-A650 PolarHBondContact O-N 3.11Å; H647-I651 WeakPolarHBondContact O-CD1 3.31Å; H647-I651 VanDerWaalsContact O-CG1 3.23Å; H647-I651 WeakPolarHBondContact O-CG1 3.32Å; H647-I651 PolarHBondContact O-N 3.46Å |
| 648 | Q | 90.6 | Very high | 91.3 | Very high | 77 Ų | 77 | 45.8 Ų | 45.8 | 36% | 0.36 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.3 | -45.4 | 176 | -72 | 179.9 | -13.9 | 0 | 0 | 111.2 | E642 L644 I651 Q652 | E642-Q648 HydrophobicContact CB-CG 4.31Å; E642-Q648 HydrophobicContact CG-CG 4.13Å; E642-Q648 PolarHBondContact O-NE2 2.92Å; L644-Q648 WeakPolarHBondContact O-CG 3.35Å; L644-Q648 PolarHBondContact O-N 3.03Å; Q648-I651 PolarHBondContact O-N 2.78Å; Q648-Q652 WeakPolarHBondContact O-CG 3.36Å; Q648-Q652 PolarHBondContact O-N 2.66Å |
| 649 | K | 90.9 | Very high | 91.4 | Very high | 116 Ų | 116 | 45.2 Ų | 45.2 | 50% | 0.504 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.4 | -48.7 | 172.8 | -178.9 | 171.5 | -179.1 | -74.2 | 0 | 110.8 | S645 S646 H647 I651 Q652 E653 | S645-K649 VanDerWaalsContact O-CB 3.28Å; S645-K649 WeakPolarHBondContact O-CB 3.44Å; S645-K649 PolarHBondContact O-N 2.85Å; S646-K649 PolarHBondContact O-N 3.47Å; H647-K649 VanDerWaalsContact C-N 3.32Å; H647-K649 PolarHBondContact O-N 3.17Å; K649-I651 VanDerWaalsContact C-N 3.29Å; K649-I651 PolarHBondContact O-N 2.61Å; K649-Q652 PolarHBondContact O-N 2.68Å; K649-E653 WeakPolarHBondContact CE-OE1 3.39Å; K649-E653 HydrophobicContact CG-CG 4.44Å; K649-E653 WeakPolarHBondContact CG-OE1 3.18Å; K649-E653 IonicContact NZ-OE1 3.36Å; K649-E653 PolarHBondContact NZ-OE1 3.4Å; K649-E653 VanDerWaalsContact O-CB 3.27Å; K649-E653 WeakPolarHBondContact O-CB 3.4Å; K649-E653 VanDerWaalsContact O-CG 3.3Å; K649-E653 WeakPolarHBondContact O-CG 3.46Å; K649-E653 PolarHBondContact O-N 3.48Å |
| 650 | A | 92.4 | Very high | 91.4 | Very high | 15 Ų | 15 | 46.6 Ų | 46.6 | 12% | 0.124 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.8 | -38.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M610 S646 H647 E653 T654 | M610-A650 HydrophobicContact CB-CB 3.87Å; M610-A650 HydrophobicContact CG-CB 4.2Å; S646-A650 WeakPolarHBondContact O-CB 3.44Å; S646-A650 PolarHBondContact O-N 3.02Å; H647-A650 CarbonylContact O-C 3.54Å; H647-A650 PolarHBondContact O-N 3.11Å; A650-E653 WeakPolarHBondContact O-CB 3.11Å; A650-E653 PolarHBondContact O-N 3.32Å; A650-T654 PolarHBondContact O-N 3.48Å; A650-T654 PolarHBondContact O-OG1 3.13Å |
| 651 | I | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.6 | -43.1 | 177.7 | -65.1 | 156.8 | 0 | 0 | 0 | 111.6 | M610 L635 R638 Q639 E642 H647 Q648 K649 E653 T654 L655 | M610-I651 HydrophobicContact CE-CD1 4.25Å; M610-I651 HydrophobicContact CE-CG1 3.67Å; M610-I651 HydrophobicContact CG-CG1 4.5Å; M610-I651 HydrophobicContact SD-CG1 3.79Å; L635-I651 HydrophobicContact CB-CG2 4.46Å; L635-I651 HydrophobicContact CD2-CG2 3.99Å; R638-I651 HydrophobicContact CB-CD1 4.17Å; R638-I651 HydrophobicContact CG-CD1 3.56Å; R638-I651 HydrophobicContact CG-CG1 4.47Å; Q639-I651 HydrophobicContact CB-CG2 3.74Å; Q639-I651 HydrophobicContact CG-CG2 4.09Å; E642-I651 HydrophobicContact CB-CD1 4.03Å; E642-I651 HydrophobicContact CG-CD1 3.96Å; H647-I651 WeakPolarHBondContact O-CD1 3.31Å; H647-I651 VanDerWaalsContact O-CG1 3.23Å; H647-I651 WeakPolarHBondContact O-CG1 3.32Å; H647-I651 PolarHBondContact O-N 3.46Å; Q648-I651 PolarHBondContact O-N 2.78Å; K649-I651 VanDerWaalsContact C-N 3.29Å; K649-I651 PolarHBondContact O-N 2.61Å; I651-E653 PolarHBondContact O-N 2.79Å; I651-T654 PolarHBondContact O-N 3.34Å; I651-L655 HydrophobicContact CG2-CD1 4.12Å; I651-L655 WeakPolarHBondContact O-CB 3.4Å; I651-L655 WeakPolarHBondContact O-CG 3.33Å; I651-L655 PolarHBondContact O-N 2.91Å |
| 652 | Q | 92.4 | Very high | 91.7 | Very high | 100 Ų | 100 | 44 Ų | 44 | 47% | 0.467 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.3 | -37.8 | 171 | -75.4 | 178.4 | -32.4 | 0 | 0 | 111.4 | Q648 K649 L655 F656 | Q648-Q652 WeakPolarHBondContact O-CG 3.36Å; Q648-Q652 PolarHBondContact O-N 2.66Å; K649-Q652 PolarHBondContact O-N 2.68Å; Q652-L655 PolarHBondContact O-N 3.09Å; Q652-F656 PolarHBondContact O-N 2.91Å |
| 653 | E | 93.4 | Very high | 91.9 | Very high | 45 Ų | 45 | 45.7 Ų | 45.7 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 176.4 | -81 | -162.4 | -131.1 | 0 | 0 | 113 | K12 K649 A650 I651 F656 V657 | K12-E653 HydrophobicContact CD-CB 4.22Å; K12-E653 HydrophobicContact CD-CG 3.75Å; K12-E653 WeakPolarHBondContact CD-OE2 3.04Å; K12-E653 VanDerWaalsContact CE-O 3.29Å; K12-E653 WeakPolarHBondContact CE-O 3.46Å; K12-E653 WeakPolarHBondContact CE-OE2 3.43Å; K12-E653 IonicContact NZ-OE2 3.47Å; K12-E653 PolarHBondContact NZ-OE2 2.78Å; K649-E653 WeakPolarHBondContact CE-OE1 3.39Å; K649-E653 HydrophobicContact CG-CG 4.44Å; K649-E653 WeakPolarHBondContact CG-OE1 3.18Å; K649-E653 IonicContact NZ-OE1 3.36Å; K649-E653 PolarHBondContact NZ-OE1 3.4Å; K649-E653 VanDerWaalsContact O-CB 3.27Å; K649-E653 WeakPolarHBondContact O-CB 3.4Å; K649-E653 VanDerWaalsContact O-CG 3.3Å; K649-E653 WeakPolarHBondContact O-CG 3.46Å; K649-E653 PolarHBondContact O-N 3.48Å; A650-E653 WeakPolarHBondContact O-CB 3.11Å; A650-E653 PolarHBondContact O-N 3.32Å; I651-E653 PolarHBondContact O-N 2.79Å; E653-F656 WeakPolarHBondContact O-CB 3.26Å; E653-F656 PolarHBondContact O-N 2.71Å; E653-V657 WeakPolarHBondContact O-CG2 3.41Å; E653-V657 PolarHBondContact O-N 3.04Å; E653-V657 VanDerWaalsContact O-N 3.12Å |
| 654 | T | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.9 | -40.4 | 170.9 | -54 | 0 | 0 | 0 | 0 | 111.7 | L613 Q614 I617 L635 A650 I651 F656 V657 L658 | L613-T654 HydrophobicContact CD2-CG2 3.92Å; L613-T654 HydrophobicContact CG-CG2 4.09Å; Q614-T654 HydrophobicContact CG-CG2 4.15Å; Q614-T654 WeakPolarHBondContact CG-OG1 3.44Å; I617-T654 HydrophobicContact CD1-CG2 3.72Å; L635-T654 HydrophobicContact CD1-CG2 3.92Å; L635-T654 HydrophobicContact CD2-CG2 3.82Å; A650-T654 PolarHBondContact O-N 3.48Å; A650-T654 PolarHBondContact O-OG1 3.13Å; I651-T654 PolarHBondContact O-N 3.34Å; T654-F656 VanDerWaalsContact C-N 3.28Å; T654-F656 PolarHBondContact O-N 3.41Å; T654-V657 PolarHBondContact O-N 3.07Å; T654-L658 WeakPolarHBondContact O-CB 3.39Å; T654-L658 PolarHBondContact O-N 2.98Å |
| 655 | L | 95.3 | Very high | 92.3 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -30.3 | 175.2 | -75 | 168.1 | 0 | 0 | 0 | 112.5 | L632 L635 Q639 I651 Q652 R659 Y693 | L632-L655 HydrophobicContact CD1-CD2 3.82Å; L635-L655 HydrophobicContact CB-CD2 3.75Å; L635-L655 HydrophobicContact CB-CG 4.13Å; L635-L655 HydrophobicContact CD1-CD2 3.9Å; L635-L655 HydrophobicContact CD1-CG 4.33Å; L635-L655 HydrophobicContact CG-CD2 4.41Å; Q639-L655 VanDerWaalsContact OE1-CD1 3.27Å; I651-L655 HydrophobicContact CG2-CD1 4.12Å; I651-L655 WeakPolarHBondContact O-CB 3.4Å; I651-L655 WeakPolarHBondContact O-CG 3.33Å; I651-L655 PolarHBondContact O-N 2.91Å; Q652-L655 PolarHBondContact O-N 3.09Å; L655-R659 WeakPolarHBondContact O-CG 3.32Å; L655-R659 PolarHBondContact O-N 3.29Å; L655-Y693 HydrophobicContact CB-CD2 4.14Å; L655-Y693 HydrophobicContact CB-CE2 4.06Å; L655-Y693 HydrophobicContact CD1-CD2 4.5Å; L655-Y693 HydrophobicContact CD2-CD2 3.85Å; L655-Y693 HydrophobicContact CD2-CE2 3.72Å; L655-Y693 HydrophobicContact CG-CD2 4.39Å; L655-Y693 HydrophobicContact CG-CE2 4.45Å |
| 656 | F | 94.4 | Very high | 92.6 | Very high | 64 Ų | 64 | 42 Ų | 42 | 28% | 0.281 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.5 | -47.6 | 169.8 | 178.6 | -91.3 | 0 | 0 | 0 | 111.7 | K12 Q652 E653 T654 L658 R659 S660 T811 | K12-F656 HydrophobicContact CD-CD1 4.18Å; Q652-F656 PolarHBondContact O-N 2.91Å; E653-F656 WeakPolarHBondContact O-CB 3.26Å; E653-F656 PolarHBondContact O-N 2.71Å; T654-F656 VanDerWaalsContact C-N 3.28Å; T654-F656 PolarHBondContact O-N 3.41Å; F656-L658 VanDerWaalsContact C-N 3.3Å; F656-L658 PolarHBondContact O-N 3.13Å; F656-R659 PolarHBondContact O-N 3.42Å; F656-R659 VanDerWaalsContact O-N 3.13Å; F656-S660 PolarHBondContact O-N 3.34Å; F656-S660 PolarHBondContact O-OG 3.29Å; F656-T811 HydrophobicContact CE2-CG2 4.48Å |
| 657 | V | 94.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 175.9 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | Q614 I617 K618 E653 T654 R659 S660 H661 | Q614-V657 HydrophobicContact CG-CG2 4.28Å; I617-V657 HydrophobicContact CB-CG1 4.28Å; I617-V657 HydrophobicContact CG2-CG1 3.87Å; K618-V657 HydrophobicContact CG-CG1 3.71Å; E653-V657 WeakPolarHBondContact O-CG2 3.41Å; E653-V657 PolarHBondContact O-N 3.04Å; E653-V657 VanDerWaalsContact O-N 3.12Å; T654-V657 PolarHBondContact O-N 3.07Å; V657-R659 VanDerWaalsContact C-N 3.33Å; V657-R659 PolarHBondContact O-N 3.13Å; V657-S660 PolarHBondContact O-N 2.7Å; V657-H661 PolarHBondContact O-CD2 3.48Å; V657-H661 VanDerWaalsContact O-CD2 3.27Å; V657-H661 PolarHBondContact O-N 2.82Å |
| 658 | L | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.3 | -40.9 | 175.5 | -166.8 | 158.3 | 0 | 0 | 0 | 111.6 | L628 L631 L632 L635 T654 F656 F662 Q667 Y693 | L628-L658 HydrophobicContact CD1-CD1 4.37Å; L628-L658 HydrophobicContact CD1-CD2 3.72Å; L628-L658 HydrophobicContact CD1-CG 4.08Å; L631-L658 HydrophobicContact CD2-CD1 3.67Å; L631-L658 HydrophobicContact CD2-CG 4.49Å; L631-L658 HydrophobicContact CG-CD1 3.64Å; L632-L658 HydrophobicContact CD1-CD2 4.42Å; L635-L658 HydrophobicContact CD1-CD1 3.63Å; T654-L658 WeakPolarHBondContact O-CB 3.39Å; T654-L658 PolarHBondContact O-N 2.98Å; F656-L658 VanDerWaalsContact C-N 3.3Å; F656-L658 PolarHBondContact O-N 3.13Å; L658-F662 HydrophobicContact CD2-CD2 4.26Å; L658-F662 HydrophobicContact CG-CD2 3.85Å; L658-F662 HydrophobicContact CG-CE2 4.05Å; L658-F662 WeakPolarHBondContact O-CD2 3.24Å; L658-F662 PolarHBondContact O-N 2.88Å; L658-Q667 HydrophobicContact CD2-CG 4.38Å; L658-Q667 PolarHBondContact O-NE2 3.41Å; L658-Y693 WeakPolarHBondContact CD2-OH 3.37Å |
| 659 | R | 94.6 | Very high | 93.2 | Very high | 29 Ų | 29 | 38.5 Ų | 38.5 | 11% | 0.109 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.2 | -44.1 | 173.7 | -79.6 | -168.3 | -69.5 | 121.5 | -9 | 113.1 | L655 F656 V657 L664 Q667 Y693 L697 M700 | L655-R659 WeakPolarHBondContact O-CG 3.32Å; L655-R659 PolarHBondContact O-N 3.29Å; F656-R659 PolarHBondContact O-N 3.42Å; F656-R659 VanDerWaalsContact O-N 3.13Å; V657-R659 VanDerWaalsContact C-N 3.33Å; V657-R659 PolarHBondContact O-N 3.13Å; R659-L664 VanDerWaalsContact O-CD2 3.27Å; R659-L664 WeakPolarHBondContact O-CD2 3.37Å; R659-Q667 PolarHBondContact O-NE2 3.49Å; R659-Y693 HydrophobicContact CG-CD2 4.5Å; R659-Y693 HydrophobicContact CG-CE2 3.57Å; R659-Y693 WeakPolarHBondContact CG-OH 3.2Å; R659-L697 HydrophobicContact CG-CD1 4.35Å; R659-M700 HydrophobicContact CB-SD 4.42Å; R659-M700 PolarHBondContact NH1-SD 3.11Å |
| 660 | S | 92.4 | Very high | 93.3 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 35% | 0.35 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -75.8 | -26 | -175.4 | -60.2 | 0 | 0 | 0 | 0 | 114.9 | F656 V657 | F656-S660 PolarHBondContact O-N 3.34Å; F656-S660 PolarHBondContact O-OG 3.29Å; V657-S660 PolarHBondContact O-N 2.7Å |
| 661 | H | 92.5 | Very high | 93.5 | Very high | 58 Ų | 58 | 33 Ų | 33 | 27% | 0.269 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -101.5 | -26.6 | -173 | -75.2 | -101.8 | 0 | 0 | 0 | 115.3 | I617 N621 V657 | I617-H661 HydrophobicContact CG2-CB 4.4Å; N621-H661 HydrophobicContact CB-CB 4Å; V657-H661 PolarHBondContact O-CD2 3.48Å; V657-H661 VanDerWaalsContact O-CD2 3.27Å; V657-H661 PolarHBondContact O-N 2.82Å |
| 662 | F | 93.2 | Very high | 93.5 | Very high | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -95.6 | 157.8 | 178 | -69.8 | -81.7 | 0 | 0 | 0 | 112.3 | I617 N621 L624 L628 L631 L658 L664 Q667 | I617-F662 HydrophobicContact CG2-CE2 3.78Å; N621-F662 HydrophobicContact CB-CE1 4.49Å; N621-F662 WeakPolarHBondContact O-CE1 3.42Å; L624-F662 HydrophobicContact CB-CE1 4Å; L624-F662 HydrophobicContact CB-CZ 3.75Å; L628-F662 HydrophobicContact CB-CE1 4.49Å; L628-F662 HydrophobicContact CD1-CB 4.06Å; L628-F662 HydrophobicContact CD1-CD1 3.9Å; L628-F662 HydrophobicContact CD1-CD2 3.58Å; L628-F662 HydrophobicContact CD1-CE1 4.19Å; L628-F662 HydrophobicContact CD1-CE2 3.88Å; L628-F662 HydrophobicContact CD1-CG 3.57Å; L628-F662 HydrophobicContact CD1-CZ 4.17Å; L628-F662 HydrophobicContact CD2-CB 4.03Å; L628-F662 HydrophobicContact CD2-CD1 4Å; L628-F662 HydrophobicContact CD2-CG 4.08Å; L628-F662 HydrophobicContact CG-CD1 4.38Å; L628-F662 HydrophobicContact CG-CG 4.41Å; L631-F662 HydrophobicContact CD2-CE2 4.3Å; L658-F662 HydrophobicContact CD2-CD2 4.26Å; L658-F662 HydrophobicContact CG-CD2 3.85Å; L658-F662 HydrophobicContact CG-CE2 4.05Å; L658-F662 WeakPolarHBondContact O-CD2 3.24Å; L658-F662 PolarHBondContact O-N 2.88Å; F662-L664 PolarHBondContact O-N 3.22Å; F662-L664 VanDerWaalsContact O-N 3.16Å; F662-Q667 HydrophobicContact CB-CG 4.06Å; F662-Q667 PolarHBondContact O-NE2 2.58Å |
| 663 | P | 91.6 | Very high | 93.5 | Very high | 54 Ų | 54 | 31 Ų | 31 | 35% | 0.351 | 17% | 0.166 | S | C | . | . | trans | -62.2 | 118.3 | 174.6 | -21.4 | 33.4 | 0 | 0 | 0 | 112.1 | N665 T666 Q667 | P663-N665 PolarHBondContact O-N 3.39Å; P663-N665 VanDerWaalsContact O-N 3.16Å; P663-T666 WeakPolarHBondContact O-CB 3.47Å; P663-T666 PolarHBondContact O-N 3.06Å; P663-Q667 PolarHBondContact O-N 2.89Å; P663-Q667 VanDerWaalsContact O-N 3.15Å | ||
| 664 | L | 92.5 | Very high | 93.6 | Very high | 38 Ų | 38 | 29 Ų | 29 | 20% | 0.199 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -53.2 | -40.1 | -174.8 | -57.3 | 170.3 | 0 | 0 | 0 | 112.8 | R659 F662 T666 Q667 F668 L697 M700 M701 | R659-L664 VanDerWaalsContact O-CD2 3.27Å; R659-L664 WeakPolarHBondContact O-CD2 3.37Å; F662-L664 PolarHBondContact O-N 3.22Å; F662-L664 VanDerWaalsContact O-N 3.16Å; L664-T666 VanDerWaalsContact C-N 3.32Å; L664-T666 PolarHBondContact O-N 3.43Å; L664-Q667 WeakPolarHBondContact O-CB 3.37Å; L664-Q667 PolarHBondContact O-N 3.43Å; L664-F668 PolarHBondContact O-N 3.09Å; L664-L697 HydrophobicContact CB-CD1 4.05Å; L664-L697 HydrophobicContact CD2-CD1 3.6Å; L664-L697 HydrophobicContact CG-CD1 4.42Å; L664-M700 HydrophobicContact CD1-CB 3.75Å; L664-M700 HydrophobicContact CD1-CE 4.41Å; L664-M700 WeakPolarHBondContact CD1-O 3.49Å; L664-M700 HydrophobicContact CD2-CB 4.31Å; L664-M700 HydrophobicContact CD2-CE 3.86Å; L664-M700 HydrophobicContact CD2-SD 4.47Å; L664-M701 HydrophobicContact CB-CE 4.2Å; L664-M701 HydrophobicContact CB-CG 4.46Å; L664-M701 WeakPolarHBondContact O-CE 3.46Å |
| 665 | N | 89.5 | Confident | 93.5 | Very high | 79 Ų | 79 | 29.1 Ų | 29.1 | 42% | 0.422 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 178.7 | -59.9 | 13.7 | 0 | 0 | 0 | 111.6 | P663 F668 N669 L705 | P663-N665 PolarHBondContact O-N 3.39Å; P663-N665 VanDerWaalsContact O-N 3.16Å; N665-F668 PolarHBondContact O-N 3.09Å; N665-N669 VanDerWaalsContact O-CG 3.29Å; N665-N669 PolarHBondContact O-N 3.17Å; N665-L705 HydrophobicContact CB-CD1 3.71Å |
| 666 | T | 92 | Very high | 93.4 | Very high | 67 Ų | 67 | 31.3 Ų | 31.3 | 41% | 0.411 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.2 | -44.5 | 176.2 | -50 | 0 | 0 | 0 | 0 | 110.5 | L628 P663 L664 F668 N669 S670 | L628-T666 HydrophobicContact CD2-CG2 3.9Å; P663-T666 WeakPolarHBondContact O-CB 3.47Å; P663-T666 PolarHBondContact O-N 3.06Å; L664-T666 VanDerWaalsContact C-N 3.32Å; L664-T666 PolarHBondContact O-N 3.43Å; T666-F668 VanDerWaalsContact C-N 3.31Å; T666-F668 PolarHBondContact O-N 2.78Å; T666-N669 PolarHBondContact O-N 3.37Å; T666-S670 PolarHBondContact O-N 3.49Å; T666-S670 PolarHBondContact O-OG 2.95Å; T666-S670 VanDerWaalsContact O-OG 3.13Å |
| 667 | Q | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.2 | -40.7 | 176.5 | -56.7 | 171.1 | 36 | 0 | 0 | 112.1 | L628 L658 R659 F662 P663 L664 S670 C671 Y693 L697 | L628-Q667 HydrophobicContact CD2-CG 4.29Å; L658-Q667 HydrophobicContact CD2-CG 4.38Å; L658-Q667 PolarHBondContact O-NE2 3.41Å; R659-Q667 PolarHBondContact O-NE2 3.49Å; F662-Q667 HydrophobicContact CB-CG 4.06Å; F662-Q667 PolarHBondContact O-NE2 2.58Å; P663-Q667 PolarHBondContact O-N 2.89Å; P663-Q667 VanDerWaalsContact O-N 3.15Å; L664-Q667 WeakPolarHBondContact O-CB 3.37Å; L664-Q667 PolarHBondContact O-N 3.43Å; Q667-S670 WeakPolarHBondContact O-CB 3.22Å; Q667-S670 PolarHBondContact O-N 3.03Å; Q667-C671 PolarHBondContact O-N 3.21Å; Q667-C671 PolarHBondContact O-SG 3.21Å; Q667-Y693 PolarHBondContact OE1-OH 2.84Å; Q667-L697 HydrophobicContact CB-CD1 4.22Å; Q667-L697 HydrophobicContact CB-CD2 3.89Å |
| 668 | F | 93.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.2 | -41.1 | 178.8 | 179.9 | -90.3 | 0 | 0 | 0 | 111.6 | L664 N665 T666 C671 C672 M694 L697 I698 M701 L705 V713 L743 | L664-F668 PolarHBondContact O-N 3.09Å; N665-F668 PolarHBondContact O-N 3.09Å; T666-F668 VanDerWaalsContact C-N 3.31Å; T666-F668 PolarHBondContact O-N 2.78Å; F668-C671 WeakPolarHBondContact O-CB 3.43Å; F668-C671 PolarHBondContact O-N 3.1Å; F668-C672 WeakPolarHBondContact CE1-SG 3.48Å; F668-C672 PolarHBondContact O-N 3.29Å; F668-C672 PolarHBondContact O-SG 2.69Å; F668-M694 HydrophobicContact CD2-CE 3.99Å; F668-M694 HydrophobicContact CE2-CE 3.59Å; F668-M694 HydrophobicContact CZ-CE 4.15Å; F668-L697 HydrophobicContact CB-CD2 3.82Å; F668-L697 HydrophobicContact CD2-CD2 4.42Å; F668-I698 HydrophobicContact CD2-CG1 4.15Å; F668-I698 HydrophobicContact CE2-CD1 4.16Å; F668-I698 HydrophobicContact CE2-CG1 3.86Å; F668-M701 HydrophobicContact CB-CE 3.55Å; F668-M701 HydrophobicContact CB-SD 3.9Å; F668-M701 HydrophobicContact CD2-SD 3.81Å; F668-M701 HydrophobicContact CG-CE 4.06Å; F668-M701 HydrophobicContact CG-SD 3.98Å; F668-L705 HydrophobicContact CD1-CD2 3.66Å; F668-L705 HydrophobicContact CD2-CD2 4.48Å; F668-L705 HydrophobicContact CE1-CD2 3.87Å; F668-L705 HydrophobicContact CG-CD2 3.98Å; F668-L705 HydrophobicContact CZ-CD2 4.39Å; F668-V713 HydrophobicContact CE1-CG1 3.89Å; F668-V713 HydrophobicContact CE1-CG2 4.22Å; F668-V713 HydrophobicContact CZ-CG1 4.48Å; F668-L743 HydrophobicContact CE2-CD2 4.15Å; F668-L743 HydrophobicContact CZ-CD2 4.15Å |
| 669 | N | 92.6 | Very high | 92.1 | Very high | 73 Ų | 73 | 32 Ų | 32 | 39% | 0.39 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.2 | -39.5 | 173.7 | -69.7 | -10.5 | 0 | 0 | 0 | 111.1 | N665 T666 C671 C672 H673 | N665-N669 VanDerWaalsContact O-CG 3.29Å; N665-N669 PolarHBondContact O-N 3.17Å; T666-N669 PolarHBondContact O-N 3.37Å; N669-C671 VanDerWaalsContact C-N 3.32Å; N669-C671 PolarHBondContact O-N 2.87Å; N669-C672 PolarHBondContact O-N 3.12Å; N669-H673 WeakPolarHBondContact O-CB 3.46Å; N669-H673 PolarHBondContact O-N 3.07Å |
| 670 | S | 93.9 | Very high | 91.5 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 11% | 0.105 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.6 | -37.3 | 170.8 | -64.5 | 0 | 0 | 0 | 0 | 112.8 | T666 Q667 F674 | T666-S670 PolarHBondContact O-N 3.49Å; T666-S670 PolarHBondContact O-OG 2.95Å; T666-S670 VanDerWaalsContact O-OG 3.13Å; Q667-S670 WeakPolarHBondContact O-CB 3.22Å; Q667-S670 PolarHBondContact O-N 3.03Å; S670-F674 WeakPolarHBondContact O-CB 3.45Å; S670-F674 PolarHBondContact O-N 3.27Å |
| 671 | C | 95.2 | Very high | 91 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.4 | -44.8 | 172.7 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | Q667 F668 N669 F674 I675 L690 M694 | Q667-C671 PolarHBondContact O-N 3.21Å; Q667-C671 PolarHBondContact O-SG 3.21Å; F668-C671 WeakPolarHBondContact O-CB 3.43Å; F668-C671 PolarHBondContact O-N 3.1Å; N669-C671 VanDerWaalsContact C-N 3.32Å; N669-C671 PolarHBondContact O-N 2.87Å; C671-F674 PolarHBondContact O-N 3.36Å; C671-I675 VanDerWaalsContact O-CG1 3.3Å; C671-I675 WeakPolarHBondContact O-CG1 3.38Å; C671-I675 PolarHBondContact O-N 2.76Å; C671-L690 HydrophobicContact CB-CD1 4.08Å; C671-M694 HydrophobicContact CB-CE 3.96Å; C671-M694 HydrophobicContact CB-CG 3.66Å; C671-M694 HydrophobicContact CB-SD 3.73Å |
| 672 | C | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 177.2 | -66.1 | 0 | 0 | 0 | 0 | 111.8 | F668 N669 I675 M676 V713 A716 | F668-C672 WeakPolarHBondContact CE1-SG 3.48Å; F668-C672 PolarHBondContact O-N 3.29Å; F668-C672 PolarHBondContact O-SG 2.69Å; N669-C672 PolarHBondContact O-N 3.12Å; C672-I675 WeakPolarHBondContact O-CB 3.31Å; C672-I675 PolarHBondContact O-N 2.7Å; C672-M676 PolarHBondContact O-N 3.24Å; C672-V713 HydrophobicContact CB-CG2 4.15Å; C672-A716 HydrophobicContact CB-CB 3.64Å |
| 673 | H | 93.7 | Very high | 90.6 | Very high | 59 Ų | 59 | 32.1 Ų | 32.1 | 27% | 0.273 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.1 | -52.1 | 172.2 | -168.2 | 53.2 | 0 | 0 | 0 | 109.8 | Y629 N669 I675 M676 D677 E712 | Y629-H673 HydrophobicContact CE2-CB 4.1Å; Y629-H673 AromaticContact CE2-CD2 3.47Å; Y629-H673 VanDerWaalsContact CE2-CD2 3.47Å; Y629-H673 WeakPolarHBondContact CE2-CD2 3.23Å; Y629-H673 AromaticContact CZ-CD2 3.41Å; Y629-H673 VanDerWaalsContact CZ-CD2 3.41Å; N669-H673 WeakPolarHBondContact O-CB 3.46Å; N669-H673 PolarHBondContact O-N 3.07Å; H673-I675 PolarHBondContact O-N 2.71Å; H673-I675 VanDerWaalsContact O-N 3.1Å; H673-M676 CarbonylContact O-C 3.19Å; H673-M676 PolarHBondContact O-N 3.37Å; H673-D677 WeakPolarHBondContact O-CA 3.4Å; H673-D677 WeakPolarHBondContact O-CB 3.23Å; H673-D677 PolarHBondContact O-N 3.2Å; H673-E712 IonicContact CE1-OE1 3.14Å; H673-E712 IonicContact CG-OE1 3.42Å; H673-E712 IonicContact ND1-OE1 2.8Å; H673-E712 PolarHBondContact ND1-OE1 3.17Å; H673-E712 IonicContact ND1-OE2 2.86Å |
| 674 | F | 94.4 | Very high | 90.6 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.013 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.2 | -26.2 | 176.5 | -178.6 | -115.1 | 0 | 0 | 0 | 114.7 | Y629 I633 L636 Y637 S670 C671 H680 P682 V686 L690 | Y629-F674 HydrophobicContact CE2-CB 4.09Å; I633-F674 HydrophobicContact CB-CE2 4.27Å; I633-F674 HydrophobicContact CD1-CB 4.29Å; I633-F674 HydrophobicContact CD1-CD2 3.31Å; I633-F674 HydrophobicContact CD1-CE2 3.81Å; I633-F674 HydrophobicContact CD1-CG 4.09Å; I633-F674 HydrophobicContact CG1-CB 4.47Å; I633-F674 HydrophobicContact CG1-CD2 3.45Å; I633-F674 VanDerWaalsContact CG1-CD2 3.45Å; I633-F674 HydrophobicContact CG1-CE2 3.64Å; I633-F674 HydrophobicContact CG1-CG 4.02Å; I633-F674 HydrophobicContact CG1-CZ 4.41Å; I633-F674 HydrophobicContact CG2-CD2 4.37Å; I633-F674 HydrophobicContact CG2-CE2 3.75Å; I633-F674 HydrophobicContact CG2-CZ 4.44Å; L636-F674 HydrophobicContact CD1-CE1 4.41Å; Y637-F674 HydrophobicContact CD2-CZ 4.39Å; Y637-F674 AromaticContact CE2-CE2 3.85Å; Y637-F674 HydrophobicContact CE2-CE2 3.85Å; Y637-F674 AromaticContact CE2-CZ 3.78Å; Y637-F674 HydrophobicContact CE2-CZ 3.78Å; S670-F674 WeakPolarHBondContact O-CB 3.45Å; S670-F674 PolarHBondContact O-N 3.27Å; C671-F674 PolarHBondContact O-N 3.36Å; F674-H680 HydrophobicContact CD2-CB 3.56Å; F674-H680 AromaticContact CD2-CG 3.59Å; F674-H680 AromaticContact CD2-ND1 3.67Å; F674-H680 HydrophobicContact CE2-CB 3.18Å; F674-H680 AromaticContact CE2-CD2 3.83Å; F674-H680 AromaticContact CE2-CG 3.29Å; F674-H680 AromaticContact CE2-ND1 3.84Å; F674-H680 HydrophobicContact CZ-CB 4.03Å; F674-P682 HydrophobicContact CE1-CB 4.32Å; F674-P682 HydrophobicContact CZ-CB 4.35Å; F674-V686 HydrophobicContact CE1-CG1 3.87Å; F674-V686 HydrophobicContact CZ-CG1 3.75Å; F674-L690 HydrophobicContact CD1-CD1 3.78Å; F674-L690 HydrophobicContact CD1-CD2 3.56Å; F674-L690 HydrophobicContact CD1-CG 4.22Å; F674-L690 HydrophobicContact CE1-CD1 4.32Å; F674-L690 HydrophobicContact CE1-CD2 3.81Å; F674-L690 HydrophobicContact CE1-CG 4.47Å |
| 675 | I | 94.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -75.8 | -37.7 | 174 | -71.9 | 173.2 | 0 | 0 | 0 | 111.6 | C671 C672 H673 L690 M694 A716 K719 I720 W723 | C671-I675 VanDerWaalsContact O-CG1 3.3Å; C671-I675 WeakPolarHBondContact O-CG1 3.38Å; C671-I675 PolarHBondContact O-N 2.76Å; C672-I675 WeakPolarHBondContact O-CB 3.31Å; C672-I675 PolarHBondContact O-N 2.7Å; H673-I675 PolarHBondContact O-N 2.71Å; H673-I675 VanDerWaalsContact O-N 3.1Å; I675-L690 HydrophobicContact CD1-CD2 4.02Å; I675-L690 HydrophobicContact CG1-CD2 3.57Å; I675-L690 HydrophobicContact CG1-CG 4.48Å; I675-M694 HydrophobicContact CD1-CE 4.36Å; I675-M694 HydrophobicContact CD1-SD 3.58Å; I675-M694 VanDerWaalsContact CD1-SD 3.58Å; I675-A716 HydrophobicContact CB-CB 4.21Å; I675-A716 HydrophobicContact CG2-CB 3.98Å; I675-K719 HydrophobicContact CG2-CB 3.86Å; I675-K719 HydrophobicContact CG2-CD 3.79Å; I675-K719 HydrophobicContact CG2-CG 3.97Å; I675-K719 WeakPolarHBondContact O-CD 3.43Å; I675-K719 VanDerWaalsContact O-CE 3.24Å; I675-K719 WeakPolarHBondContact O-CE 3.3Å; I675-K719 PolarHBondContact O-NZ 2.81Å; I675-I720 HydrophobicContact CD1-CD1 3.68Å; I675-I720 HydrophobicContact CD1-CG1 3.72Å; I675-W723 HydrophobicContact CD1-CZ3 4.29Å; I675-W723 HydrophobicContact CG1-CH2 4.02Å; I675-W723 HydrophobicContact CG1-CZ3 4.21Å; I675-W723 HydrophobicContact CG2-CH2 4.22Å |
| 676 | M | 92.3 | Very high | 90.8 | Very high | 54 Ų | 54 | 31.5 Ų | 31.5 | 27% | 0.266 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -91 | -29.5 | -177.3 | -72.1 | -55.1 | -57.8 | 0 | 0 | 113.8 | C672 H673 N678 E712 N715 A716 K719 | C672-M676 PolarHBondContact O-N 3.24Å; H673-M676 CarbonylContact O-C 3.19Å; H673-M676 PolarHBondContact O-N 3.37Å; M676-N678 PolarHBondContact O-N 3.06Å; M676-E712 HydrophobicContact CB-CG 4.14Å; M676-E712 HydrophobicContact CG-CG 4.09Å; M676-N715 HydrophobicContact CE-CB 3.57Å; M676-N715 HydrophobicContact CG-CB 4.37Å; M676-N715 VanDerWaalsContact SD-C 3.56Å; M676-N715 HydrophobicContact SD-CB 3.63Å; M676-A716 HydrophobicContact CG-CB 3.91Å; M676-K719 HydrophobicContact SD-CD 4.13Å |
| 677 | D | 89.4 | Confident | 90.9 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 4% | 0.043 | 14% | 0.144 | C | C | . | . | trans | -53.8 | 130.3 | 174.8 | 179.2 | 20.2 | 0 | 0 | 0 | 109 | Y629 H673 A679 H680 V922 | Y629-D677 PolarHBondContact OH-OD2 3.12Å; H673-D677 WeakPolarHBondContact O-CA 3.4Å; H673-D677 WeakPolarHBondContact O-CB 3.23Å; H673-D677 PolarHBondContact O-N 3.2Å; D677-A679 WeakPolarHBondContact OD1-CB 3.15Å; D677-A679 PolarHBondContact OD1-N 3.17Å; D677-A679 WeakPolarHBondContact OD2-CB 3.41Å; D677-H680 IonicContact OD2-CE1 3.12Å; D677-H680 PolarHBondContact OD2-CE1 2.83Å; D677-H680 IonicContact OD2-CG 2.92Å; D677-H680 IonicContact OD2-ND1 2.77Å; D677-H680 PolarHBondContact OD2-ND1 3.16Å; D677-V922 WeakPolarHBondContact OD1-CA 3.1Å | ||
| 678 | N | 82.1 | Confident | 90.9 | Very high | 51 Ų | 51 | 30.1 Ų | 30.1 | 27% | 0.273 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -81.9 | -20 | 179.3 | -73.4 | -68 | 0 | 0 | 0 | 110.6 | M676 H680 L923 R924 | M676-N678 PolarHBondContact O-N 3.06Å; N678-H680 PolarHBondContact O-N 3.31Å; N678-L923 HydrophobicContact CB-CD2 3.54Å; N678-L923 CarbonylContact O-C 3.54Å; N678-L923 WeakPolarHBondContact O-CA 3.24Å; N678-R924 HydrophobicContact CB-CG 3.98Å; N678-R924 WeakPolarHBondContact O-CA 3.12Å; N678-R924 WeakPolarHBondContact O-CG 3.19Å; N678-R924 PolarHBondContact O-N 2.87Å; N678-R924 VanDerWaalsContact OD1-CZ 3.29Å; N678-R924 PolarHBondContact OD1-NE 2.9Å; N678-R924 PolarHBondContact OD1-NH2 3.24Å |
| 679 | A | 84.9 | Confident | 90.9 | Very high | 22 Ų | 22 | 30.8 Ų | 30.8 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -54.2 | -43 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D677 L923 | D677-A679 WeakPolarHBondContact OD1-CB 3.15Å; D677-A679 PolarHBondContact OD1-N 3.17Å; D677-A679 WeakPolarHBondContact OD2-CB 3.41Å; A679-L923 WeakPolarHBondContact CA-O 3.42Å; A679-L923 VanDerWaalsContact N-CA 3.35Å; A679-L923 CarbonylContact O-C 3.36Å |
| 680 | H | 82.6 | Confident | 91.1 | Very high | 48 Ų | 48 | 27.3 Ų | 27.3 | 22% | 0.222 | 14% | 0.138 | C | C | . | . | trans | -100.6 | 138.7 | -166.8 | -62.4 | 103.2 | 0 | 0 | 0 | 111.2 | Y637 F674 D677 N678 P682 | Y637-H680 AromaticContact CE2-CD2 3.75Å; F674-H680 HydrophobicContact CD2-CB 3.56Å; F674-H680 AromaticContact CD2-CG 3.59Å; F674-H680 AromaticContact CD2-ND1 3.67Å; F674-H680 HydrophobicContact CE2-CB 3.18Å; F674-H680 AromaticContact CE2-CD2 3.83Å; F674-H680 AromaticContact CE2-CG 3.29Å; F674-H680 AromaticContact CE2-ND1 3.84Å; F674-H680 HydrophobicContact CZ-CB 4.03Å; D677-H680 IonicContact OD2-CE1 3.12Å; D677-H680 PolarHBondContact OD2-CE1 2.83Å; D677-H680 IonicContact OD2-CG 2.92Å; D677-H680 IonicContact OD2-ND1 2.77Å; D677-H680 PolarHBondContact OD2-ND1 3.16Å; N678-H680 PolarHBondContact O-N 3.31Å; H680-P682 WeakPolarHBondContact O-CD 3.36Å | ||
| 681 | T | 82.6 | Confident | 91.2 | Very high | 47 Ų | 47 | 26.6 Ų | 26.6 | 29% | 0.288 | 13% | 0.133 | S | C | . | . | trans | -117.8 | 38.3 | -163.2 | 64.1 | 0 | 0 | 0 | 0 | 111 | Y637 N683 T925 | Y637-T681 PolarHBondContact OH-N 3.1Å; T681-N683 PolarHBondContact O-N 3.44Å; T681-T925 HydrophobicContact CG2-CG2 4.33Å; T681-T925 VanDerWaalsContact CG2-N 3.26Å | ||
| 682 | P | 85.8 | Confident | 91.2 | Very high | 12 Ų | 12 | 29.4 Ų | 29.4 | 8% | 0.078 | 15% | 0.146 | C | C | . | . | trans | -55.1 | 111.8 | -150 | 24.1 | -36.9 | 0 | 0 | 0 | 111.3 | F674 H680 V686 K687 Q927 | F674-P682 HydrophobicContact CE1-CB 4.32Å; F674-P682 HydrophobicContact CZ-CB 4.35Å; H680-P682 WeakPolarHBondContact O-CD 3.36Å; P682-V686 HydrophobicContact CB-CB 3.69Å; P682-V686 HydrophobicContact CB-CG1 3.47Å; P682-V686 VanDerWaalsContact CB-CG1 3.47Å; P682-K687 HydrophobicContact CB-CG 4.15Å; P682-K687 HydrophobicContact CG-CG 4.21Å; P682-K687 WeakPolarHBondContact O-CG 3.26Å; P682-Q927 PolarHBondContact O-NE2 3.11Å; P682-Q927 PolarHBondContact O-OE1 2.94Å; P682-Q927 VanDerWaalsContact O-OE1 3.12Å | ||
| 683 | N | 90 | Very high | 91.2 | Very high | 41 Ų | 41 | 29.9 Ų | 29.9 | 22% | 0.219 | 15% | 0.148 | C | C | . | . | trans | -57.2 | 164.8 | 171.5 | 72.6 | 55.9 | 0 | 0 | 0 | 110 | H641 T681 R685 V686 K687 Q927 | H641-N683 PolarHBondContact NE2-ND2 3.24Å; T681-N683 PolarHBondContact O-N 3.44Å; N683-R685 PolarHBondContact O-N 3.21Å; N683-R685 VanDerWaalsContact O-N 3.07Å; N683-R685 WeakPolarHBondContact OD1-CA 3.49Å; N683-R685 WeakPolarHBondContact OD1-CB 3.37Å; N683-R685 PolarHBondContact OD1-N 3.27Å; N683-V686 CarbonylContact O-C 3.45Å; N683-V686 WeakPolarHBondContact O-CA 3.47Å; N683-V686 WeakPolarHBondContact O-CB 3.31Å; N683-V686 PolarHBondContact O-N 2.9Å; N683-V686 PolarHBondContact OD1-N 3.23Å; N683-V686 VanDerWaalsContact OD1-N 3.1Å; N683-K687 PolarHBondContact O-N 2.95Å; N683-Q927 VanDerWaalsContact C-OE1 3.29Å; N683-Q927 VanDerWaalsContact CA-OE1 3.27Å | ||
| 684 | F | 92.7 | Very high | 91.3 | Very high | 12 Ų | 12 | 27 Ų | 27 | 5% | 0.053 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.9 | -25.3 | -175.5 | -66.6 | -23.6 | 0 | 0 | 0 | 115.7 | K687 T688 E726 K728 V732 Q927 P928 | F684-K687 HydrophobicContact CD1-CD 4.04Å; F684-K687 HydrophobicContact CE1-CD 4.46Å; F684-T688 WeakPolarHBondContact O-CB 3.31Å; F684-T688 PolarHBondContact O-N 2.91Å; F684-T688 PolarHBondContact O-OG1 3.13Å; F684-E726 HydrophobicContact CD1-CG 4.45Å; F684-E726 HydrophobicContact CE1-CG 3.76Å; F684-E726 VanDerWaalsContact CE1-OE2 3.23Å; F684-E726 WeakPolarHBondContact CE1-OE2 3.45Å; F684-E726 VanDerWaalsContact CZ-CD 3.43Å; F684-E726 HydrophobicContact CZ-CG 3.85Å; F684-E726 WeakPolarHBondContact CZ-OE1 3.36Å; F684-K728 HydrophobicContact CE2-CB 3.39Å; F684-K728 VanDerWaalsContact CE2-O 3.25Å; F684-K728 WeakPolarHBondContact CE2-O 3.44Å; F684-K728 HydrophobicContact CZ-CB 3.51Å; F684-K728 HydrophobicContact CZ-CD 4.42Å; F684-V732 HydrophobicContact CB-CG2 3.81Å; F684-V732 HydrophobicContact CD1-CG2 3.89Å; F684-V732 HydrophobicContact CG-CG2 3.98Å; F684-Q927 VanDerWaalsContact N-OE1 3.13Å; F684-P928 HydrophobicContact CD1-CB 4.42Å; F684-P928 HydrophobicContact CD2-CB 3.2Å; F684-P928 HydrophobicContact CD2-CG 3.9Å; F684-P928 HydrophobicContact CE1-CB 4.22Å; F684-P928 HydrophobicContact CE2-CB 2.99Å; F684-P928 HydrophobicContact CE2-CG 3.15Å; F684-P928 HydrophobicContact CG-CB 3.94Å; F684-P928 HydrophobicContact CZ-CB 3.53Å; F684-P928 HydrophobicContact CZ-CG 3.55Å |
| 685 | R | 92 | Very high | 91.3 | Very high | 146 Ų | 146 | 28.3 Ų | 28.3 | 55% | 0.551 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -69.9 | -46.3 | 172.3 | -60 | -178.6 | -177.5 | 179.3 | 0.2 | 109.8 | S640 N683 K687 T688 C689 | S640-R685 WeakPolarHBondContact O-CD 3.22Å; S640-R685 PolarHBondContact O-NH1 2.94Å; N683-R685 PolarHBondContact O-N 3.21Å; N683-R685 VanDerWaalsContact O-N 3.07Å; N683-R685 WeakPolarHBondContact OD1-CA 3.49Å; N683-R685 WeakPolarHBondContact OD1-CB 3.37Å; N683-R685 PolarHBondContact OD1-N 3.27Å; R685-K687 PolarHBondContact O-N 3.12Å; R685-T688 PolarHBondContact O-N 3.47Å; R685-T688 VanDerWaalsContact O-N 3.14Å; R685-C689 PolarHBondContact O-N 2.85Å; R685-C689 PolarHBondContact O-SG 3.06Å |
| 686 | V | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 173.4 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | Y637 S640 F674 P682 N683 T688 C689 L690 | Y637-V686 HydrophobicContact CD1-CG2 3.68Å; Y637-V686 HydrophobicContact CE1-CG2 3.81Å; Y637-V686 HydrophobicContact CG-CG2 4.29Å; S640-V686 VanDerWaalsContact CB-CG2 3.48Å; S640-V686 WeakPolarHBondContact OG-CG2 3.47Å; F674-V686 HydrophobicContact CE1-CG1 3.87Å; F674-V686 HydrophobicContact CZ-CG1 3.75Å; P682-V686 HydrophobicContact CB-CB 3.69Å; P682-V686 HydrophobicContact CB-CG1 3.47Å; P682-V686 VanDerWaalsContact CB-CG1 3.47Å; N683-V686 CarbonylContact O-C 3.45Å; N683-V686 WeakPolarHBondContact O-CA 3.47Å; N683-V686 WeakPolarHBondContact O-CB 3.31Å; N683-V686 PolarHBondContact O-N 2.9Å; N683-V686 PolarHBondContact OD1-N 3.23Å; N683-V686 VanDerWaalsContact OD1-N 3.1Å; V686-T688 VanDerWaalsContact C-N 3.33Å; V686-T688 PolarHBondContact O-N 3.11Å; V686-C689 PolarHBondContact O-N 2.69Å; V686-L690 WeakPolarHBondContact O-CB 3.4Å; V686-L690 PolarHBondContact O-N 3.5Å |
| 687 | K | 94.4 | Very high | 91.3 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 5% | 0.048 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.8 | -44.7 | 173.8 | -69.5 | -164 | -171.5 | -174.1 | 0 | 111.5 | P682 N683 F684 R685 L690 L691 W723 E726 V732 | P682-K687 HydrophobicContact CB-CG 4.15Å; P682-K687 HydrophobicContact CG-CG 4.21Å; P682-K687 WeakPolarHBondContact O-CG 3.26Å; N683-K687 PolarHBondContact O-N 2.95Å; F684-K687 HydrophobicContact CD1-CD 4.04Å; F684-K687 HydrophobicContact CE1-CD 4.46Å; R685-K687 PolarHBondContact O-N 3.12Å; K687-L690 PolarHBondContact O-N 3.36Å; K687-L691 WeakPolarHBondContact O-CB 3.25Å; K687-L691 WeakPolarHBondContact O-CD1 3.18Å; K687-L691 WeakPolarHBondContact O-CG 3.38Å; K687-L691 PolarHBondContact O-N 3.25Å; K687-W723 HydrophobicContact CB-CZ3 4.46Å; K687-W723 HydrophobicContact CD-CD2 3.87Å; K687-W723 HydrophobicContact CD-CE3 4.06Å; K687-W723 HydrophobicContact CD-CG 4.45Å; K687-W723 HydrophobicContact CD-CH2 4.11Å; K687-W723 HydrophobicContact CD-CZ2 3.94Å; K687-W723 HydrophobicContact CD-CZ3 4.17Å; K687-W723 HydrophobicContact CG-CH2 4.08Å; K687-W723 HydrophobicContact CG-CZ2 4.33Å; K687-W723 HydrophobicContact CG-CZ3 4.18Å; K687-W723 VanDerWaalsContact NZ-NE1 3.13Å; K687-E726 IonicContact NZ-OE2 3.68Å; K687-E726 PolarHBondContact NZ-OE2 2.87Å; K687-V732 HydrophobicContact CB-CG1 4.38Å; K687-V732 HydrophobicContact CB-CG2 3.81Å; K687-V732 HydrophobicContact CD-CG1 3.9Å; K687-V732 HydrophobicContact CD-CG2 4.26Å |
| 688 | T | 93.9 | Very high | 91.5 | Very high | 27 Ų | 27 | 27.2 Ų | 27.2 | 17% | 0.166 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.7 | -45.5 | -179.5 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | F684 R685 V686 L690 L691 E692 D731 V732 M735 | F684-T688 WeakPolarHBondContact O-CB 3.31Å; F684-T688 PolarHBondContact O-N 2.91Å; F684-T688 PolarHBondContact O-OG1 3.13Å; R685-T688 PolarHBondContact O-N 3.47Å; R685-T688 VanDerWaalsContact O-N 3.14Å; V686-T688 VanDerWaalsContact C-N 3.33Å; V686-T688 PolarHBondContact O-N 3.11Å; T688-L690 VanDerWaalsContact C-N 3.34Å; T688-L690 PolarHBondContact O-N 3.46Å; T688-L691 PolarHBondContact O-N 3.13Å; T688-E692 WeakPolarHBondContact O-CB 3.12Å; T688-E692 PolarHBondContact O-N 3.26Å; T688-D731 HydrophobicContact CG2-CB 4.3Å; T688-V732 WeakPolarHBondContact OG1-CG2 3.2Å; T688-M735 HydrophobicContact CG2-CE 4.41Å |
| 689 | C | 94.4 | Very high | 91.9 | Very high | 14 Ų | 14 | 26.7 Ų | 26.7 | 10% | 0.095 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 174.9 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | L636 Q639 R685 V686 E692 Y693 | L636-C689 HydrophobicContact CD2-CB 3.84Å; Q639-C689 VanDerWaalsContact CD-SG 3.59Å; R685-C689 PolarHBondContact O-N 2.85Å; R685-C689 PolarHBondContact O-SG 3.06Å; V686-C689 PolarHBondContact O-N 2.69Å; C689-E692 PolarHBondContact O-N 2.96Å; C689-Y693 VanDerWaalsContact O-CB 3.28Å; C689-Y693 WeakPolarHBondContact O-CB 3.28Å; C689-Y693 PolarHBondContact O-N 3.36Å |
| 690 | L | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.9 | -48.3 | 176.5 | 173.1 | 66.4 | 0 | 0 | 0 | 112.2 | L636 C671 F674 I675 V686 K687 T688 E692 Y693 M694 W723 | L636-L690 HydrophobicContact CD1-CB 4.26Å; L636-L690 HydrophobicContact CD1-CD1 3.82Å; C671-L690 HydrophobicContact CB-CD1 4.08Å; F674-L690 HydrophobicContact CD1-CD1 3.78Å; F674-L690 HydrophobicContact CD1-CD2 3.56Å; F674-L690 HydrophobicContact CD1-CG 4.22Å; F674-L690 HydrophobicContact CE1-CD1 4.32Å; F674-L690 HydrophobicContact CE1-CD2 3.81Å; F674-L690 HydrophobicContact CE1-CG 4.47Å; I675-L690 HydrophobicContact CD1-CD2 4.02Å; I675-L690 HydrophobicContact CG1-CD2 3.57Å; I675-L690 HydrophobicContact CG1-CG 4.48Å; V686-L690 WeakPolarHBondContact O-CB 3.4Å; V686-L690 PolarHBondContact O-N 3.5Å; K687-L690 PolarHBondContact O-N 3.36Å; T688-L690 VanDerWaalsContact C-N 3.34Å; T688-L690 PolarHBondContact O-N 3.46Å; L690-E692 VanDerWaalsContact C-N 3.32Å; L690-Y693 PolarHBondContact O-N 3.45Å; L690-M694 HydrophobicContact CD1-CG 4.44Å; L690-M694 HydrophobicContact CD1-SD 4.45Å; L690-M694 WeakPolarHBondContact O-CB 3.41Å; L690-M694 WeakPolarHBondContact O-CG 3.29Å; L690-M694 PolarHBondContact O-N 3.06Å; L690-W723 HydrophobicContact CD2-CH2 4.38Å; L690-W723 HydrophobicContact CD2-CZ3 4.26Å |
| 691 | L | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.7 | -34.3 | 178.1 | -69.2 | 165.9 | 0 | 0 | 0 | 111.6 | K687 T688 K695 I720 W723 V732 M735 A736 V739 | K687-L691 WeakPolarHBondContact O-CB 3.25Å; K687-L691 WeakPolarHBondContact O-CD1 3.18Å; K687-L691 WeakPolarHBondContact O-CG 3.38Å; K687-L691 PolarHBondContact O-N 3.25Å; T688-L691 PolarHBondContact O-N 3.13Å; L691-K695 WeakPolarHBondContact O-CB 3.47Å; L691-K695 PolarHBondContact O-N 2.69Å; L691-I720 HydrophobicContact CD2-CG1 4.1Å; L691-I720 HydrophobicContact CD2-CG2 3.87Å; L691-W723 HydrophobicContact CD1-CE3 4Å; L691-W723 HydrophobicContact CD2-CE3 4.13Å; L691-W723 HydrophobicContact CD2-CZ3 4.39Å; L691-W723 HydrophobicContact CG-CE3 4.27Å; L691-W723 HydrophobicContact CG-CZ3 4.41Å; L691-V732 HydrophobicContact CD1-CG1 4.17Å; L691-M735 HydrophobicContact CB-CB 3.82Å; L691-M735 HydrophobicContact CB-CG 3.5Å; L691-M735 HydrophobicContact CD1-CB 4.27Å; L691-A736 HydrophobicContact CD1-CB 3.96Å; L691-A736 HydrophobicContact CD2-CB 4.43Å; L691-V739 HydrophobicContact CB-CG2 4.16Å; L691-V739 HydrophobicContact CD2-CB 4.35Å; L691-V739 HydrophobicContact CD2-CG2 3.96Å; L691-V739 WeakPolarHBondContact O-CG2 3.12Å |
| 692 | E | 94.6 | Very high | 92.2 | Very high | 61 Ų | 61 | 26.6 Ų | 26.6 | 29% | 0.285 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -65.1 | -45.3 | 174.2 | -175.3 | 160.1 | -113.3 | 0 | 0 | 111.1 | T688 C689 L690 K695 D696 M735 | T688-E692 WeakPolarHBondContact O-CB 3.12Å; T688-E692 PolarHBondContact O-N 3.26Å; C689-E692 PolarHBondContact O-N 2.96Å; L690-E692 VanDerWaalsContact C-N 3.32Å; E692-K695 WeakPolarHBondContact O-CB 3.47Å; E692-K695 PolarHBondContact O-N 3.15Å; E692-K695 PolarHBondContact O-NZ 3.02Å; E692-D696 PolarHBondContact O-N 3.38Å; E692-D696 VanDerWaalsContact O-N 3.14Å; E692-M735 HydrophobicContact CB-CE 3.96Å; E692-M735 HydrophobicContact CB-CG 4.34Å; E692-M735 HydrophobicContact CB-SD 4.28Å; E692-M735 HydrophobicContact CG-CE 4.14Å |
| 693 | Y | 96 | Very high | 91.7 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 174.7 | -176.5 | -91.9 | 0 | 0 | 0 | 111.9 | L632 L655 L658 R659 Q667 C689 L690 K695 D696 L697 | L632-Y693 HydrophobicContact CD1-CD1 4.1Å; L632-Y693 HydrophobicContact CD1-CD2 4.38Å; L632-Y693 HydrophobicContact CD1-CE1 3.68Å; L632-Y693 HydrophobicContact CD1-CE2 3.98Å; L632-Y693 HydrophobicContact CD1-CG 4.43Å; L632-Y693 HydrophobicContact CD2-CE1 4.21Å; L655-Y693 HydrophobicContact CB-CD2 4.14Å; L655-Y693 HydrophobicContact CB-CE2 4.06Å; L655-Y693 HydrophobicContact CD1-CD2 4.5Å; L655-Y693 HydrophobicContact CD2-CD2 3.85Å; L655-Y693 HydrophobicContact CD2-CE2 3.72Å; L655-Y693 HydrophobicContact CG-CD2 4.39Å; L655-Y693 HydrophobicContact CG-CE2 4.45Å; L658-Y693 WeakPolarHBondContact CD2-OH 3.37Å; R659-Y693 HydrophobicContact CG-CD2 4.5Å; R659-Y693 HydrophobicContact CG-CE2 3.57Å; R659-Y693 WeakPolarHBondContact CG-OH 3.2Å; Q667-Y693 PolarHBondContact OE1-OH 2.84Å; C689-Y693 VanDerWaalsContact O-CB 3.28Å; C689-Y693 WeakPolarHBondContact O-CB 3.28Å; C689-Y693 PolarHBondContact O-N 3.36Å; L690-Y693 PolarHBondContact O-N 3.45Å; Y693-K695 VanDerWaalsContact C-N 3.31Å; Y693-K695 PolarHBondContact O-N 2.96Å; Y693-D696 PolarHBondContact O-N 3.22Å; Y693-L697 HydrophobicContact CE1-CD2 4.07Å; Y693-L697 VanDerWaalsContact O-CB 3.3Å; Y693-L697 WeakPolarHBondContact O-CB 3.43Å; Y693-L697 PolarHBondContact O-N 3.35Å |
| 694 | M | 95.5 | Very high | 91 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.5 | -40.9 | 175.7 | -72.8 | -174.1 | 83.3 | 0 | 0 | 111.8 | F668 C671 I675 L690 D696 L697 I698 I720 V739 | F668-M694 HydrophobicContact CD2-CE 3.99Å; F668-M694 HydrophobicContact CE2-CE 3.59Å; F668-M694 HydrophobicContact CZ-CE 4.15Å; C671-M694 HydrophobicContact CB-CE 3.96Å; C671-M694 HydrophobicContact CB-CG 3.66Å; C671-M694 HydrophobicContact CB-SD 3.73Å; I675-M694 HydrophobicContact CD1-CE 4.36Å; I675-M694 HydrophobicContact CD1-SD 3.58Å; I675-M694 VanDerWaalsContact CD1-SD 3.58Å; L690-M694 HydrophobicContact CD1-CG 4.44Å; L690-M694 HydrophobicContact CD1-SD 4.45Å; L690-M694 WeakPolarHBondContact O-CB 3.41Å; L690-M694 WeakPolarHBondContact O-CG 3.29Å; L690-M694 PolarHBondContact O-N 3.06Å; M694-D696 VanDerWaalsContact C-N 3.33Å; M694-D696 PolarHBondContact O-N 2.68Å; M694-L697 PolarHBondContact O-N 3.49Å; M694-I698 HydrophobicContact CB-CD1 4.44Å; M694-I698 WeakPolarHBondContact O-CB 3.36Å; M694-I698 VanDerWaalsContact O-CD1 3.28Å; M694-I698 WeakPolarHBondContact O-CD1 3.11Å; M694-I698 WeakPolarHBondContact O-CG1 3.45Å; M694-I698 PolarHBondContact O-N 3.31Å; M694-I720 HydrophobicContact CE-CD1 3.87Å; M694-I720 HydrophobicContact SD-CD1 4Å; M694-V739 HydrophobicContact CB-CG2 4.28Å |
| 695 | K | 94.1 | Very high | 89.8 | Confident | 29 Ų | 29 | 32.9 Ų | 32.9 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.4 | -43.7 | 176 | 177.7 | -139.8 | 78.3 | -96.8 | 0 | 111.8 | L691 E692 Y693 L699 M735 R738 V739 K742 | L691-K695 WeakPolarHBondContact O-CB 3.47Å; L691-K695 PolarHBondContact O-N 2.69Å; E692-K695 WeakPolarHBondContact O-CB 3.47Å; E692-K695 PolarHBondContact O-N 3.15Å; E692-K695 PolarHBondContact O-NZ 3.02Å; Y693-K695 VanDerWaalsContact C-N 3.31Å; Y693-K695 PolarHBondContact O-N 2.96Å; K695-L699 WeakPolarHBondContact O-CD1 3.32Å; K695-L699 WeakPolarHBondContact O-CG 3.16Å; K695-M735 HydrophobicContact CD-SD 4.05Å; K695-R738 HydrophobicContact CG-CB 4.45Å; K695-V739 HydrophobicContact CB-CG2 4Å; K695-K742 HydrophobicContact CG-CG 4.43Å |
| 696 | D | 93.6 | Very high | 89.1 | Confident | 41 Ų | 41 | 26 Ų | 26 | 22% | 0.219 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -77.5 | -29.7 | 177.4 | -65.7 | -38.8 | 0 | 0 | 0 | 113.1 | E692 Y693 M694 | E692-D696 PolarHBondContact O-N 3.38Å; E692-D696 VanDerWaalsContact O-N 3.14Å; Y693-D696 PolarHBondContact O-N 3.22Å; M694-D696 VanDerWaalsContact C-N 3.33Å; M694-D696 PolarHBondContact O-N 2.68Å |
| 697 | L | 94 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.5 | -51.2 | 177 | 178.8 | 62.7 | 0 | 0 | 0 | 111.5 | R659 L664 Q667 F668 Y693 M694 L699 M700 M701 | R659-L697 HydrophobicContact CG-CD1 4.35Å; L664-L697 HydrophobicContact CB-CD1 4.05Å; L664-L697 HydrophobicContact CD2-CD1 3.6Å; L664-L697 HydrophobicContact CG-CD1 4.42Å; Q667-L697 HydrophobicContact CB-CD1 4.22Å; Q667-L697 HydrophobicContact CB-CD2 3.89Å; F668-L697 HydrophobicContact CB-CD2 3.82Å; F668-L697 HydrophobicContact CD2-CD2 4.42Å; Y693-L697 HydrophobicContact CE1-CD2 4.07Å; Y693-L697 VanDerWaalsContact O-CB 3.3Å; Y693-L697 WeakPolarHBondContact O-CB 3.43Å; Y693-L697 PolarHBondContact O-N 3.35Å; M694-L697 PolarHBondContact O-N 3.49Å; L697-L699 PolarHBondContact O-N 3.05Å; L697-L699 VanDerWaalsContact O-N 3.16Å; L697-M700 WeakPolarHBondContact O-CB 3.47Å; L697-M700 PolarHBondContact O-N 2.86Å; L697-M701 HydrophobicContact CG-SD 4.22Å; L697-M701 WeakPolarHBondContact O-CG 3.19Å |
| 698 | I | 93.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53 | -38.3 | -178.4 | -72.8 | 160.2 | 0 | 0 | 0 | 111.6 | F668 M694 M700 M701 V739 K742 L743 L746 | F668-I698 HydrophobicContact CD2-CG1 4.15Å; F668-I698 HydrophobicContact CE2-CD1 4.16Å; F668-I698 HydrophobicContact CE2-CG1 3.86Å; M694-I698 HydrophobicContact CB-CD1 4.44Å; M694-I698 WeakPolarHBondContact O-CB 3.36Å; M694-I698 VanDerWaalsContact O-CD1 3.28Å; M694-I698 WeakPolarHBondContact O-CD1 3.11Å; M694-I698 WeakPolarHBondContact O-CG1 3.45Å; M694-I698 PolarHBondContact O-N 3.31Å; I698-M700 PolarHBondContact O-N 3.15Å; I698-M701 PolarHBondContact O-N 2.97Å; I698-M701 VanDerWaalsContact O-N 3.13Å; I698-V739 HydrophobicContact CD1-CG1 3.78Å; I698-K742 HydrophobicContact CB-CB 4.48Å; I698-K742 HydrophobicContact CG2-CB 3.87Å; I698-K742 WeakPolarHBondContact CG2-O 3.26Å; I698-L743 HydrophobicContact CD1-CD2 3.66Å; I698-L743 HydrophobicContact CD1-CG 3.89Å; I698-L743 HydrophobicContact CG1-CD2 4.02Å; I698-L743 HydrophobicContact CG2-CD2 4.36Å; I698-L746 HydrophobicContact CG2-CB 4.12Å; I698-L746 HydrophobicContact CG2-CD2 4.01Å |
| 699 | L | 90.2 | Very high | 87.2 | Confident | 40 Ų | 40 | 35.3 Ų | 35.3 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -6.7 | -179.2 | -70.9 | 162.7 | 0 | 0 | 0 | 114.4 | K695 L697 K742 V809 | K695-L699 WeakPolarHBondContact O-CD1 3.32Å; K695-L699 WeakPolarHBondContact O-CG 3.16Å; L697-L699 PolarHBondContact O-N 3.05Å; L697-L699 VanDerWaalsContact O-N 3.16Å; L699-K742 HydrophobicContact CD1-CD 4.4Å; L699-K742 HydrophobicContact CD1-CG 4.26Å; L699-K742 HydrophobicContact CD2-CD 3.78Å; L699-K742 HydrophobicContact CD2-CG 4.27Å; L699-K742 HydrophobicContact CG-CD 4.31Å; L699-K742 HydrophobicContact CG-CG 4.27Å; L699-V809 HydrophobicContact CB-CB 3.68Å; L699-V809 HydrophobicContact CB-CG1 3.42Å; L699-V809 VanDerWaalsContact CB-CG1 3.42Å; L699-V809 HydrophobicContact CD1-CB 3.73Å; L699-V809 HydrophobicContact CD1-CG1 4.13Å; L699-V809 HydrophobicContact CD1-CG2 3.85Å; L699-V809 HydrophobicContact CD2-CB 4.22Å; L699-V809 HydrophobicContact CG-CB 4.07Å; L699-V809 HydrophobicContact CG-CG1 4.29Å |
| 700 | M | 87.3 | Confident | 87 | Confident | 38 Ų | 38 | 37.4 Ų | 37.4 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -4.8 | 172.9 | -60 | 175.8 | 54.7 | 0 | 0 | 113 | R659 L664 L697 I698 T811 | R659-M700 HydrophobicContact CB-SD 4.42Å; R659-M700 PolarHBondContact NH1-SD 3.11Å; L664-M700 HydrophobicContact CD1-CB 3.75Å; L664-M700 HydrophobicContact CD1-CE 4.41Å; L664-M700 WeakPolarHBondContact CD1-O 3.49Å; L664-M700 HydrophobicContact CD2-CB 4.31Å; L664-M700 HydrophobicContact CD2-CE 3.86Å; L664-M700 HydrophobicContact CD2-SD 4.47Å; L697-M700 WeakPolarHBondContact O-CB 3.47Å; L697-M700 PolarHBondContact O-N 2.86Å; I698-M700 PolarHBondContact O-N 3.15Å; M700-T811 HydrophobicContact CE-CG2 3.38Å; M700-T811 HydrophobicContact SD-CG2 3.9Å |
| 701 | M | 86 | Confident | 86.7 | Confident | 15 Ų | 15 | 43.6 Ų | 43.6 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -87.3 | 158.2 | -170.2 | -51.6 | -166.8 | 79.9 | 0 | 0 | 112.7 | L664 F668 L697 I698 L705 L746 | L664-M701 HydrophobicContact CB-CE 4.2Å; L664-M701 HydrophobicContact CB-CG 4.46Å; L664-M701 WeakPolarHBondContact O-CE 3.46Å; F668-M701 HydrophobicContact CB-CE 3.55Å; F668-M701 HydrophobicContact CB-SD 3.9Å; F668-M701 HydrophobicContact CD2-SD 3.81Å; F668-M701 HydrophobicContact CG-CE 4.06Å; F668-M701 HydrophobicContact CG-SD 3.98Å; L697-M701 HydrophobicContact CG-SD 4.22Å; L697-M701 WeakPolarHBondContact O-CG 3.19Å; I698-M701 PolarHBondContact O-N 2.97Å; I698-M701 VanDerWaalsContact O-N 3.13Å; M701-L705 HydrophobicContact CE-CD1 3.77Å; M701-L705 HydrophobicContact CE-CD2 3.42Å; M701-L705 VanDerWaalsContact CE-CD2 3.42Å; M701-L705 HydrophobicContact CE-CG 4.14Å; M701-L705 HydrophobicContact SD-CD2 3.78Å; M701-L746 HydrophobicContact CB-CD2 4.15Å; M701-L746 WeakPolarHBondContact O-CD1 3.4Å |
| 702 | S | 81.7 | Confident | 86.4 | Confident | 62 Ų | 62 | 47 Ų | 47 | 43% | 0.434 | 26% | 0.264 | S | S | . | . | trans | -71.2 | 141.7 | 169.5 | -146 | 0 | 0 | 0 | 0 | 110.4 | D704 L705 | S702-D704 VanDerWaalsContact CB-OD2 3.24Å; S702-D704 WeakPolarHBondContact CB-OD2 3.4Å; S702-D704 PolarHBondContact O-N 3.22Å; S702-D704 PolarHBondContact OG-OD2 3.46Å; S702-L705 PolarHBondContact O-N 3.27Å | ||
| 703 | P | 75.7 | Confident | 86.3 | Confident | 57 Ų | 57 | 44.5 Ų | 44.5 | 37% | 0.37 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.1 | 176.8 | 24.3 | -35.3 | 0 | 0 | 0 | 113.7 | L705 L746 N747 | P703-L705 VanDerWaalsContact C-N 3.32Å; P703-L705 PolarHBondContact O-N 3.07Å; P703-L746 HydrophobicContact CB-CD1 4.46Å; P703-L746 WeakPolarHBondContact CB-O 3.4Å; P703-N747 HydrophobicContact CB-CB 3.98Å; P703-N747 WeakPolarHBondContact O-CB 3.47Å; P703-N747 PolarHBondContact O-ND2 3.48Å |
| 704 | D | 75.3 | Confident | 86.1 | Confident | 105 Ų | 105 | 44.9 Ų | 44.9 | 56% | 0.561 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -22.9 | -177.1 | -38 | -75 | 0 | 0 | 0 | 113.7 | S702 I706 A707 | S702-D704 VanDerWaalsContact CB-OD2 3.24Å; S702-D704 WeakPolarHBondContact CB-OD2 3.4Å; S702-D704 PolarHBondContact O-N 3.22Å; S702-D704 PolarHBondContact OG-OD2 3.46Å; D704-I706 VanDerWaalsContact C-N 3.31Å; D704-I706 PolarHBondContact O-N 2.87Å; D704-A707 WeakPolarHBondContact O-CB 3.33Å; D704-A707 PolarHBondContact O-N 3.09Å |
| 705 | L | 68.9 | Low | 86.1 | Confident | 34 Ų | 34 | 48.9 Ų | 48.9 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -54.8 | -45.6 | -171.2 | -175.8 | 92.2 | 0 | 0 | 0 | 112.7 | N665 F668 M701 S702 P703 A707 | N665-L705 HydrophobicContact CB-CD1 3.71Å; F668-L705 HydrophobicContact CD1-CD2 3.66Å; F668-L705 HydrophobicContact CD2-CD2 4.48Å; F668-L705 HydrophobicContact CE1-CD2 3.87Å; F668-L705 HydrophobicContact CG-CD2 3.98Å; F668-L705 HydrophobicContact CZ-CD2 4.39Å; M701-L705 HydrophobicContact CE-CD1 3.77Å; M701-L705 HydrophobicContact CE-CD2 3.42Å; M701-L705 VanDerWaalsContact CE-CD2 3.42Å; M701-L705 HydrophobicContact CE-CG 4.14Å; M701-L705 HydrophobicContact SD-CD2 3.78Å; S702-L705 PolarHBondContact O-N 3.27Å; P703-L705 VanDerWaalsContact C-N 3.32Å; P703-L705 PolarHBondContact O-N 3.07Å; L705-A707 VanDerWaalsContact C-N 3.3Å; L705-A707 PolarHBondContact O-N 3.19Å |
| 706 | I | 76 | Confident | 86.1 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -87.7 | 5.5 | -176.2 | 56.6 | 168.2 | 0 | 0 | 0 | 113.3 | D704 P709 L743 N747 S750 F751 | D704-I706 VanDerWaalsContact C-N 3.31Å; D704-I706 PolarHBondContact O-N 2.87Å; I706-P709 WeakPolarHBondContact O-CD 3.5Å; I706-L743 WeakPolarHBondContact CD1-O 3.47Å; I706-L743 HydrophobicContact CG2-CD2 4.41Å; I706-N747 HydrophobicContact CD1-CB 3.97Å; I706-N747 WeakPolarHBondContact CD1-O 3.39Å; I706-N747 HydrophobicContact CG1-CB 3.93Å; I706-S750 WeakPolarHBondContact O-CB 3.49Å; I706-F751 HydrophobicContact CD1-CB 4.23Å |
| 707 | A | 77.1 | Confident | 86.1 | Confident | 44 Ų | 44 | 45.5 Ų | 45.5 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -68.3 | -38.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D704 L705 S750 | D704-A707 WeakPolarHBondContact O-CB 3.33Å; D704-A707 PolarHBondContact O-N 3.09Å; L705-A707 VanDerWaalsContact C-N 3.3Å; L705-A707 PolarHBondContact O-N 3.19Å; A707-S750 WeakPolarHBondContact CA-OG 3.48Å |
| 708 | N | 82 | Confident | 86.1 | Confident | 154 Ų | 154 | 45.9 Ų | 45.9 | 82% | 0.824 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -127.5 | 70.7 | 177.8 | -69 | -47 | 0 | 0 | 0 | 110.8 | ||
| 709 | P | 83.6 | Confident | 86.2 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 23% | 0.234 | 28% | 0.279 | C | S | . | . | trans | -75.5 | 142.5 | -176.5 | 32.2 | -33.9 | 0 | 0 | 0 | 111.6 | I706 V713 I714 L754 | I706-P709 WeakPolarHBondContact O-CD 3.5Å; P709-V713 HydrophobicContact CB-CB 4.21Å; P709-V713 HydrophobicContact CB-CG1 3.88Å; P709-I714 HydrophobicContact CB-CG1 4.08Å; P709-I714 HydrophobicContact CG-CD1 4.24Å; P709-I714 HydrophobicContact CG-CG1 3.91Å; P709-L754 HydrophobicContact CB-CD1 4.18Å; P709-L754 HydrophobicContact CG-CD1 4.17Å; P709-L754 HydrophobicContact CG-CG 4.38Å | ||
| 710 | S | 89.3 | Confident | 86.4 | Confident | 58 Ų | 58 | 47.4 Ų | 47.4 | 41% | 0.406 | 27% | 0.269 | S | S | . | . | trans | -70.6 | 158.4 | 172.1 | 74.6 | 0 | 0 | 0 | 0 | 111.5 | E712 V713 I714 | S710-E712 PolarHBondContact O-N 3.34Å; S710-E712 VanDerWaalsContact O-N 3.12Å; S710-E712 PolarHBondContact OG-N 3.3Å; S710-V713 PolarHBondContact O-N 3.03Å; S710-V713 PolarHBondContact OG-N 3.09Å; S710-I714 WeakPolarHBondContact O-CG1 3.49Å; S710-I714 PolarHBondContact O-N 3.08Å | ||
| 711 | N | 90.3 | Very high | 86.8 | Confident | 129 Ų | 129 | 45.6 Ų | 45.6 | 69% | 0.69 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -54.6 | -31.5 | 174 | -76 | -41.3 | 0 | 0 | 0 | 112.8 | N715 | N711-N715 WeakPolarHBondContact O-CB 3.17Å; N711-N715 PolarHBondContact O-N 3.37Å; N711-N715 VanDerWaalsContact O-N 3.08Å; N711-N715 PolarHBondContact O-ND2 2.91Å |
| 712 | E | 90.6 | Very high | 87.2 | Confident | 73 Ų | 73 | 47.6 Ų | 47.6 | 34% | 0.341 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.4 | -44.4 | 174.1 | -177.7 | 167.6 | -127.7 | 0 | 0 | 112.1 | H673 M676 S710 N715 A716 | H673-E712 IonicContact CE1-OE1 3.14Å; H673-E712 IonicContact CG-OE1 3.42Å; H673-E712 IonicContact ND1-OE1 2.8Å; H673-E712 PolarHBondContact ND1-OE1 3.17Å; H673-E712 IonicContact ND1-OE2 2.86Å; M676-E712 HydrophobicContact CB-CG 4.14Å; M676-E712 HydrophobicContact CG-CG 4.09Å; S710-E712 PolarHBondContact O-N 3.34Å; S710-E712 VanDerWaalsContact O-N 3.12Å; S710-E712 PolarHBondContact OG-N 3.3Å; E712-N715 PolarHBondContact O-N 2.79Å; E712-A716 VanDerWaalsContact O-CB 3.25Å; E712-A716 WeakPolarHBondContact O-CB 3.46Å; E712-A716 PolarHBondContact O-N 3.19Å |
| 713 | V | 91.9 | Very high | 87.8 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | F668 C672 P709 S710 N715 A716 V717 | F668-V713 HydrophobicContact CE1-CG1 3.89Å; F668-V713 HydrophobicContact CE1-CG2 4.22Å; F668-V713 HydrophobicContact CZ-CG1 4.48Å; C672-V713 HydrophobicContact CB-CG2 4.15Å; P709-V713 HydrophobicContact CB-CB 4.21Å; P709-V713 HydrophobicContact CB-CG1 3.88Å; S710-V713 PolarHBondContact O-N 3.03Å; S710-V713 PolarHBondContact OG-N 3.09Å; V713-N715 PolarHBondContact O-N 3.37Å; V713-A716 PolarHBondContact O-N 2.91Å; V713-V717 HydrophobicContact CG1-CG2 4.38Å; V713-V717 WeakPolarHBondContact O-CB 3.42Å; V713-V717 VanDerWaalsContact O-CG2 3.3Å; V713-V717 WeakPolarHBondContact O-CG2 3.45Å; V713-V717 PolarHBondContact O-N 3.48Å |
| 714 | I | 92.8 | Very high | 88.7 | Confident | 17 Ų | 17 | 42.9 Ų | 42.9 | 9% | 0.087 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.7 | -51.5 | 176.5 | -63 | 169.3 | 0 | 0 | 0 | 110 | P709 S710 V717 G718 L754 L758 | P709-I714 HydrophobicContact CB-CG1 4.08Å; P709-I714 HydrophobicContact CG-CD1 4.24Å; P709-I714 HydrophobicContact CG-CG1 3.91Å; S710-I714 WeakPolarHBondContact O-CG1 3.49Å; S710-I714 PolarHBondContact O-N 3.08Å; I714-V717 PolarHBondContact O-N 2.8Å; I714-G718 PolarHBondContact O-N 2.82Å; I714-L754 HydrophobicContact CG1-CG 4.33Å; I714-L758 HydrophobicContact CG2-CD2 3.92Å; I714-L758 HydrophobicContact CG2-CG 4.11Å |
| 715 | N | 93.7 | Very high | 89.5 | Confident | 84 Ų | 84 | 40 Ų | 40 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 179.8 | -76.6 | -65.1 | 0 | 0 | 0 | 112.8 | M676 N711 E712 V713 G718 K719 | M676-N715 HydrophobicContact CE-CB 3.57Å; M676-N715 HydrophobicContact CG-CB 4.37Å; M676-N715 VanDerWaalsContact SD-C 3.56Å; M676-N715 HydrophobicContact SD-CB 3.63Å; N711-N715 WeakPolarHBondContact O-CB 3.17Å; N711-N715 PolarHBondContact O-N 3.37Å; N711-N715 VanDerWaalsContact O-N 3.08Å; N711-N715 PolarHBondContact O-ND2 2.91Å; E712-N715 PolarHBondContact O-N 2.79Å; V713-N715 PolarHBondContact O-N 3.37Å; N715-G718 PolarHBondContact O-N 3.49Å; N715-K719 WeakPolarHBondContact O-CB 3.43Å; N715-K719 PolarHBondContact O-N 3.25Å |
| 716 | A | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | C672 I675 M676 E712 V713 K719 I720 | C672-A716 HydrophobicContact CB-CB 3.64Å; I675-A716 HydrophobicContact CB-CB 4.21Å; I675-A716 HydrophobicContact CG2-CB 3.98Å; M676-A716 HydrophobicContact CG-CB 3.91Å; E712-A716 VanDerWaalsContact O-CB 3.25Å; E712-A716 WeakPolarHBondContact O-CB 3.46Å; E712-A716 PolarHBondContact O-N 3.19Å; V713-A716 PolarHBondContact O-N 2.91Å; A716-K719 WeakPolarHBondContact O-CB 3.27Å; A716-K719 PolarHBondContact O-N 2.82Å; A716-K719 VanDerWaalsContact O-N 3.16Å; A716-I720 WeakPolarHBondContact O-CG1 3.45Å; A716-I720 PolarHBondContact O-N 2.88Å |
| 717 | V | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.2 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | V713 I714 K719 I720 I721 L743 F751 L754 | V713-V717 HydrophobicContact CG1-CG2 4.38Å; V713-V717 WeakPolarHBondContact O-CB 3.42Å; V713-V717 VanDerWaalsContact O-CG2 3.3Å; V713-V717 WeakPolarHBondContact O-CG2 3.45Å; V713-V717 PolarHBondContact O-N 3.48Å; I714-V717 PolarHBondContact O-N 2.8Å; V717-K719 VanDerWaalsContact C-N 3.31Å; V717-K719 PolarHBondContact O-N 2.97Å; V717-I720 PolarHBondContact O-N 2.82Å; V717-I721 HydrophobicContact CG1-CD1 3.88Å; V717-I721 HydrophobicContact CG1-CG1 4.44Å; V717-I721 WeakPolarHBondContact O-CD1 3.12Å; V717-I721 VanDerWaalsContact O-CG1 3.26Å; V717-I721 WeakPolarHBondContact O-CG1 3.38Å; V717-I721 PolarHBondContact O-N 2.99Å; V717-L743 HydrophobicContact CG1-CD1 3.99Å; V717-L743 HydrophobicContact CG2-CD1 3.73Å; V717-F751 HydrophobicContact CG1-CE2 3.98Å; V717-L754 HydrophobicContact CB-CD1 4.48Å; V717-L754 HydrophobicContact CB-CD2 3.95Å; V717-L754 HydrophobicContact CG1-CD1 4.46Å; V717-L754 HydrophobicContact CG1-CD2 3.56Å; V717-L754 HydrophobicContact CG2-CD1 4.3Å |
| 718 | G | 94.6 | Very high | 91.6 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I714 N715 I721 S722 | I714-G718 PolarHBondContact O-N 2.82Å; N715-G718 PolarHBondContact O-N 3.49Å; G718-I721 PolarHBondContact O-N 3.17Å; G718-S722 PolarHBondContact O-N 2.92Å |
| 719 | K | 94.2 | Very high | 92.1 | Very high | 72 Ų | 72 | 41.5 Ų | 41.5 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.8 | -41.1 | 176.1 | -164 | 161.4 | 174.7 | -176.3 | 0 | 111.3 | I675 M676 N715 A716 V717 S722 W723 | I675-K719 HydrophobicContact CG2-CB 3.86Å; I675-K719 HydrophobicContact CG2-CD 3.79Å; I675-K719 HydrophobicContact CG2-CG 3.97Å; I675-K719 WeakPolarHBondContact O-CD 3.43Å; I675-K719 VanDerWaalsContact O-CE 3.24Å; I675-K719 WeakPolarHBondContact O-CE 3.3Å; I675-K719 PolarHBondContact O-NZ 2.81Å; M676-K719 HydrophobicContact SD-CD 4.13Å; N715-K719 WeakPolarHBondContact O-CB 3.43Å; N715-K719 PolarHBondContact O-N 3.25Å; A716-K719 WeakPolarHBondContact O-CB 3.27Å; A716-K719 PolarHBondContact O-N 2.82Å; A716-K719 VanDerWaalsContact O-N 3.16Å; V717-K719 VanDerWaalsContact C-N 3.31Å; V717-K719 PolarHBondContact O-N 2.97Å; K719-S722 PolarHBondContact O-N 3.24Å; K719-S722 PolarHBondContact O-OG 2.95Å; K719-W723 HydrophobicContact CG-CZ2 4.1Å; K719-W723 VanDerWaalsContact O-CD1 3.31Å; K719-W723 VanDerWaalsContact O-CG 3.31Å; K719-W723 PolarHBondContact O-N 2.83Å |
| 720 | I | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 171.4 | -64.7 | 162.6 | 0 | 0 | 0 | 111.2 | I675 L691 M694 A716 V717 S722 W723 S724 A736 V739 V740 | I675-I720 HydrophobicContact CD1-CD1 3.68Å; I675-I720 HydrophobicContact CD1-CG1 3.72Å; L691-I720 HydrophobicContact CD2-CG1 4.1Å; L691-I720 HydrophobicContact CD2-CG2 3.87Å; M694-I720 HydrophobicContact CE-CD1 3.87Å; M694-I720 HydrophobicContact SD-CD1 4Å; A716-I720 WeakPolarHBondContact O-CG1 3.45Å; A716-I720 PolarHBondContact O-N 2.88Å; V717-I720 PolarHBondContact O-N 2.82Å; I720-S722 VanDerWaalsContact C-N 3.32Å; I720-S722 PolarHBondContact O-N 3.26Å; I720-W723 WeakPolarHBondContact O-CA 3.23Å; I720-W723 WeakPolarHBondContact O-CB 3.18Å; I720-W723 PolarHBondContact O-N 3.31Å; I720-S724 PolarHBondContact O-N 2.82Å; I720-A736 HydrophobicContact CG2-CB 4.27Å; I720-V739 HydrophobicContact CD1-CG1 4.14Å; I720-V739 HydrophobicContact CG2-CB 4.09Å; I720-V739 HydrophobicContact CG2-CG1 3.92Å; I720-V740 HydrophobicContact CG2-CG2 4.16Å |
| 721 | I | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 177.8 | -67 | 158.2 | 0 | 0 | 0 | 110.5 | V717 G718 W723 S724 V740 L755 L758 V762 R765 A766 | V717-I721 HydrophobicContact CG1-CD1 3.88Å; V717-I721 HydrophobicContact CG1-CG1 4.44Å; V717-I721 WeakPolarHBondContact O-CD1 3.12Å; V717-I721 VanDerWaalsContact O-CG1 3.26Å; V717-I721 WeakPolarHBondContact O-CG1 3.38Å; V717-I721 PolarHBondContact O-N 2.99Å; G718-I721 PolarHBondContact O-N 3.17Å; I721-W723 VanDerWaalsContact C-N 3.3Å; I721-W723 PolarHBondContact O-N 3.43Å; I721-S724 VanDerWaalsContact O-CB 3.26Å; I721-S724 WeakPolarHBondContact O-CB 3.46Å; I721-S724 PolarHBondContact O-N 3.06Å; I721-S724 VanDerWaalsContact O-N 3.11Å; I721-S724 PolarHBondContact O-OG 3.07Å; I721-V740 HydrophobicContact CB-CG2 4.39Å; I721-V740 HydrophobicContact CG1-CG2 3.58Å; I721-L755 HydrophobicContact CD1-CD2 3.61Å; I721-L758 HydrophobicContact CD1-CD1 3.9Å; I721-V762 HydrophobicContact CB-CG1 3.76Å; I721-V762 HydrophobicContact CD1-CG1 4.07Å; I721-V762 HydrophobicContact CG2-CG1 3.62Å; I721-V762 VanDerWaalsContact CG2-O 3.28Å; I721-V762 WeakPolarHBondContact CG2-O 3.35Å; I721-R765 HydrophobicContact CG2-CB 4.12Å; I721-R765 HydrophobicContact CG2-CG 4.2Å; I721-A766 HydrophobicContact CD1-CB 4.16Å; I721-A766 HydrophobicContact CG1-CB 4.38Å; I721-A766 HydrophobicContact CG2-CB 4.01Å |
| 722 | S | 93.6 | Very high | 92.8 | Very high | 58 Ų | 58 | 34 Ų | 34 | 41% | 0.406 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.2 | -32.6 | 173.8 | 71.7 | 0 | 0 | 0 | 0 | 113.2 | G718 K719 I720 S724 A725 | G718-S722 PolarHBondContact O-N 2.92Å; K719-S722 PolarHBondContact O-N 3.24Å; K719-S722 PolarHBondContact O-OG 2.95Å; I720-S722 VanDerWaalsContact C-N 3.32Å; I720-S722 PolarHBondContact O-N 3.26Å; S722-S724 PolarHBondContact O-N 3.23Å; S722-A725 WeakPolarHBondContact O-CB 3.4Å; S722-A725 PolarHBondContact O-N 3.19Å |
| 723 | W | 94.6 | Very high | 93 | Very high | 18 Ų | 18 | 34.3 Ų | 34.3 | 7% | 0.068 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.8 | -19.3 | 173.7 | -66.2 | -5.7 | 0 | 0 | 0 | 113.6 | I675 K687 L690 L691 K719 I720 I721 A725 E726 V732 R733 A736 | I675-W723 HydrophobicContact CD1-CZ3 4.29Å; I675-W723 HydrophobicContact CG1-CH2 4.02Å; I675-W723 HydrophobicContact CG1-CZ3 4.21Å; I675-W723 HydrophobicContact CG2-CH2 4.22Å; K687-W723 HydrophobicContact CB-CZ3 4.46Å; K687-W723 HydrophobicContact CD-CD2 3.87Å; K687-W723 HydrophobicContact CD-CE3 4.06Å; K687-W723 HydrophobicContact CD-CG 4.45Å; K687-W723 HydrophobicContact CD-CH2 4.11Å; K687-W723 HydrophobicContact CD-CZ2 3.94Å; K687-W723 HydrophobicContact CD-CZ3 4.17Å; K687-W723 HydrophobicContact CG-CH2 4.08Å; K687-W723 HydrophobicContact CG-CZ2 4.33Å; K687-W723 HydrophobicContact CG-CZ3 4.18Å; K687-W723 VanDerWaalsContact NZ-NE1 3.13Å; L690-W723 HydrophobicContact CD2-CH2 4.38Å; L690-W723 HydrophobicContact CD2-CZ3 4.26Å; L691-W723 HydrophobicContact CD1-CE3 4Å; L691-W723 HydrophobicContact CD2-CE3 4.13Å; L691-W723 HydrophobicContact CD2-CZ3 4.39Å; L691-W723 HydrophobicContact CG-CE3 4.27Å; L691-W723 HydrophobicContact CG-CZ3 4.41Å; K719-W723 HydrophobicContact CG-CZ2 4.1Å; K719-W723 VanDerWaalsContact O-CD1 3.31Å; K719-W723 VanDerWaalsContact O-CG 3.31Å; K719-W723 PolarHBondContact O-N 2.83Å; I720-W723 WeakPolarHBondContact O-CA 3.23Å; I720-W723 WeakPolarHBondContact O-CB 3.18Å; I720-W723 PolarHBondContact O-N 3.31Å; I721-W723 VanDerWaalsContact C-N 3.3Å; I721-W723 PolarHBondContact O-N 3.43Å; W723-A725 PolarHBondContact O-N 3.34Å; W723-A725 VanDerWaalsContact O-N 3.17Å; W723-E726 WeakPolarHBondContact O-CB 3.45Å; W723-E726 PolarHBondContact O-N 2.95Å; W723-E726 VanDerWaalsContact O-N 3.09Å; W723-V732 HydrophobicContact CB-CG1 3.94Å; W723-V732 HydrophobicContact CG-CG1 4.38Å; W723-R733 WeakPolarHBondContact O-CA 3.39Å; W723-A736 HydrophobicContact CB-CB 3.89Å |
| 724 | S | 93.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.1 | 168.2 | 78.6 | 0 | 0 | 0 | 0 | 113 | I720 I721 S722 R733 R765 | I720-S724 PolarHBondContact O-N 2.82Å; I721-S724 VanDerWaalsContact O-CB 3.26Å; I721-S724 WeakPolarHBondContact O-CB 3.46Å; I721-S724 PolarHBondContact O-N 3.06Å; I721-S724 VanDerWaalsContact O-N 3.11Å; I721-S724 PolarHBondContact O-OG 3.07Å; S722-S724 PolarHBondContact O-N 3.23Å; S724-R733 WeakPolarHBondContact O-CB 3.31Å; S724-R733 WeakPolarHBondContact O-CG 3.5Å; S724-R765 PolarHBondContact O-NH2 3.09Å; S724-R765 VanDerWaalsContact OG-CG 3.31Å; S724-R765 WeakPolarHBondContact OG-CG 3.37Å; S724-R765 PolarHBondContact OG-NE 3.07Å |
| 725 | A | 92.6 | Very high | 93.2 | Very high | 44 Ų | 44 | 40.7 Ų | 40.7 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -2.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S722 W723 P727 | S722-A725 WeakPolarHBondContact O-CB 3.4Å; S722-A725 PolarHBondContact O-N 3.19Å; W723-A725 PolarHBondContact O-N 3.34Å; W723-A725 VanDerWaalsContact O-N 3.17Å; A725-P727 WeakPolarHBondContact O-CD 3.42Å |
| 726 | E | 90.9 | Very high | 93.4 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 13% | 0.131 | 19% | 0.189 | C | C | . | . | trans | -45.3 | 101.9 | -177.2 | 175.3 | 65.8 | -98.5 | 0 | 0 | 111.6 | F684 K687 W723 K728 S729 V732 R733 | F684-E726 HydrophobicContact CD1-CG 4.45Å; F684-E726 HydrophobicContact CE1-CG 3.76Å; F684-E726 VanDerWaalsContact CE1-OE2 3.23Å; F684-E726 WeakPolarHBondContact CE1-OE2 3.45Å; F684-E726 VanDerWaalsContact CZ-CD 3.43Å; F684-E726 HydrophobicContact CZ-CG 3.85Å; F684-E726 WeakPolarHBondContact CZ-OE1 3.36Å; K687-E726 IonicContact NZ-OE2 3.68Å; K687-E726 PolarHBondContact NZ-OE2 2.87Å; W723-E726 WeakPolarHBondContact O-CB 3.45Å; W723-E726 PolarHBondContact O-N 2.95Å; W723-E726 VanDerWaalsContact O-N 3.09Å; E726-K728 PolarHBondContact O-N 3.26Å; E726-K728 VanDerWaalsContact O-N 3.14Å; E726-S729 PolarHBondContact O-N 2.92Å; E726-V732 HydrophobicContact CB-CB 4.44Å; E726-V732 HydrophobicContact CB-CG1 3.93Å; E726-V732 HydrophobicContact CG-CB 4.17Å; E726-V732 HydrophobicContact CG-CG1 3.9Å; E726-R733 HydrophobicContact CB-CG 4.09Å; E726-R733 VanDerWaalsContact O-CD 3.25Å; E726-R733 WeakPolarHBondContact O-CD 3.29Å; E726-R733 WeakPolarHBondContact O-CG 3.41Å; E726-R733 PolarHBondContact O-NH1 2.89Å | ||
| 727 | P | 86.1 | Confident | 93.4 | Very high | 103 Ų | 103 | 38 Ų | 38 | 67% | 0.669 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -28.6 | -167.1 | 21.7 | -30.5 | 0 | 0 | 0 | 111.8 | A725 R733 | A725-P727 WeakPolarHBondContact O-CD 3.42Å; P727-R733 VanDerWaalsContact C-NH1 3.28Å; P727-R733 PolarHBondContact O-NH1 3.28Å |
| 728 | K | 89.9 | Confident | 93.4 | Very high | 132 Ų | 132 | 44.2 Ų | 44.2 | 57% | 0.574 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -6.7 | -168.9 | -62.4 | 165.6 | 174.3 | -176 | 0 | 114.5 | F684 E726 P928 | F684-K728 HydrophobicContact CE2-CB 3.39Å; F684-K728 VanDerWaalsContact CE2-O 3.25Å; F684-K728 WeakPolarHBondContact CE2-O 3.44Å; F684-K728 HydrophobicContact CZ-CB 3.51Å; F684-K728 HydrophobicContact CZ-CD 4.42Å; E726-K728 PolarHBondContact O-N 3.26Å; E726-K728 VanDerWaalsContact O-N 3.14Å; K728-P928 HydrophobicContact CB-CG 3.88Å; K728-P928 HydrophobicContact CD-CG 3.97Å; K728-P928 HydrophobicContact CG-CG 4.42Å |
| 729 | S | 91.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | trans | -147.7 | 121.7 | 168.7 | 171.7 | 0 | 0 | 0 | 0 | 113.9 | E726 D731 V732 R733 | E726-S729 PolarHBondContact O-N 2.92Å; S729-D731 VanDerWaalsContact C-N 3.35Å; S729-D731 PolarHBondContact OG-N 2.87Å; S729-V732 PolarHBondContact OG-N 3.44Å; S729-R733 WeakPolarHBondContact O-CG 3.49Å; S729-R733 PolarHBondContact O-N 2.68Å; S729-R733 VanDerWaalsContact O-N 3.13Å | ||
| 730 | A | 91.1 | Very high | 93.5 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 17% | 0.174 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.6 | -28.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | R733 R734 F931 | A730-R733 PolarHBondContact O-N 3.02Å; A730-R734 WeakPolarHBondContact O-CB 3.38Å; A730-R734 PolarHBondContact O-N 3.07Å; A730-F931 HydrophobicContact CB-CE1 3.87Å; A730-F931 HydrophobicContact CB-CZ 3.67Å |
| 731 | D | 92.1 | Very high | 93.4 | Very high | 46 Ų | 46 | 41.5 Ų | 41.5 | 25% | 0.246 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -74.5 | -36.9 | 178.3 | -58.9 | -61.1 | 0 | 0 | 0 | 111.6 | T688 S729 R734 M735 N930 | T688-D731 HydrophobicContact CG2-CB 4.3Å; S729-D731 VanDerWaalsContact C-N 3.35Å; S729-D731 PolarHBondContact OG-N 2.87Å; D731-R734 PolarHBondContact O-N 2.94Å; D731-R734 IonicContact OD1-NH1 2.59Å; D731-R734 PolarHBondContact OD1-NH1 2.94Å; D731-M735 VanDerWaalsContact O-CB 3.31Å; D731-M735 WeakPolarHBondContact O-CB 3.45Å; D731-M735 PolarHBondContact O-N 3.36Å; D731-N930 PolarHBondContact OD2-ND2 3.44Å |
| 732 | V | 95 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -46 | 169.6 | 173.9 | 0 | 0 | 0 | 0 | 110 | F684 K687 T688 L691 W723 E726 S729 R734 M735 A736 | F684-V732 HydrophobicContact CB-CG2 3.81Å; F684-V732 HydrophobicContact CD1-CG2 3.89Å; F684-V732 HydrophobicContact CG-CG2 3.98Å; K687-V732 HydrophobicContact CB-CG1 4.38Å; K687-V732 HydrophobicContact CB-CG2 3.81Å; K687-V732 HydrophobicContact CD-CG1 3.9Å; K687-V732 HydrophobicContact CD-CG2 4.26Å; T688-V732 WeakPolarHBondContact OG1-CG2 3.2Å; L691-V732 HydrophobicContact CD1-CG1 4.17Å; W723-V732 HydrophobicContact CB-CG1 3.94Å; W723-V732 HydrophobicContact CG-CG1 4.38Å; E726-V732 HydrophobicContact CB-CB 4.44Å; E726-V732 HydrophobicContact CB-CG1 3.93Å; E726-V732 HydrophobicContact CG-CB 4.17Å; E726-V732 HydrophobicContact CG-CG1 3.9Å; S729-V732 PolarHBondContact OG-N 3.44Å; V732-R734 PolarHBondContact O-N 2.94Å; V732-M735 PolarHBondContact O-N 3.46Å; V732-A736 WeakPolarHBondContact O-CB 3.37Å; V732-A736 PolarHBondContact O-N 3.39Å |
| 733 | R | 95.1 | Very high | 93.3 | Very high | 78 Ų | 78 | 40.1 Ų | 40.1 | 29% | 0.294 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.2 | -50.2 | 174.1 | -67.7 | -167 | -60.1 | -94.2 | 14.8 | 112.2 | W723 S724 E726 P727 S729 A730 A736 S737 | W723-R733 WeakPolarHBondContact O-CA 3.39Å; S724-R733 WeakPolarHBondContact O-CB 3.31Å; S724-R733 WeakPolarHBondContact O-CG 3.5Å; E726-R733 HydrophobicContact CB-CG 4.09Å; E726-R733 VanDerWaalsContact O-CD 3.25Å; E726-R733 WeakPolarHBondContact O-CD 3.29Å; E726-R733 WeakPolarHBondContact O-CG 3.41Å; E726-R733 PolarHBondContact O-NH1 2.89Å; P727-R733 VanDerWaalsContact C-NH1 3.28Å; P727-R733 PolarHBondContact O-NH1 3.28Å; S729-R733 WeakPolarHBondContact O-CG 3.49Å; S729-R733 PolarHBondContact O-N 2.68Å; S729-R733 VanDerWaalsContact O-N 3.13Å; A730-R733 PolarHBondContact O-N 3.02Å; R733-A736 PolarHBondContact O-N 3.35Å; R733-S737 WeakPolarHBondContact O-CB 3.43Å; R733-S737 PolarHBondContact O-N 3.44Å; R733-S737 PolarHBondContact O-OG 2.96Å; R733-S737 VanDerWaalsContact O-OG 3.12Å |
| 734 | R | 93.6 | Very high | 93.2 | Very high | 143 Ų | 143 | 39.3 Ų | 39.3 | 54% | 0.54 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.6 | -45.9 | -178.3 | -178.7 | -171.8 | -74.9 | 146 | -12.3 | 111.6 | A730 D731 V732 R738 | A730-R734 WeakPolarHBondContact O-CB 3.38Å; A730-R734 PolarHBondContact O-N 3.07Å; D731-R734 PolarHBondContact O-N 2.94Å; D731-R734 IonicContact OD1-NH1 2.59Å; D731-R734 PolarHBondContact OD1-NH1 2.94Å; V732-R734 PolarHBondContact O-N 2.94Å; R734-R738 WeakPolarHBondContact O-CG 3.48Å; R734-R738 PolarHBondContact O-N 3.45Å |
| 735 | M | 95.6 | Very high | 93 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -75.7 | -35.6 | -178.2 | -153.4 | 67.4 | 76.8 | 0 | 0 | 111.8 | T688 L691 E692 K695 D731 V732 R738 V739 | T688-M735 HydrophobicContact CG2-CE 4.41Å; L691-M735 HydrophobicContact CB-CB 3.82Å; L691-M735 HydrophobicContact CB-CG 3.5Å; L691-M735 HydrophobicContact CD1-CB 4.27Å; E692-M735 HydrophobicContact CB-CE 3.96Å; E692-M735 HydrophobicContact CB-CG 4.34Å; E692-M735 HydrophobicContact CB-SD 4.28Å; E692-M735 HydrophobicContact CG-CE 4.14Å; K695-M735 HydrophobicContact CD-SD 4.05Å; D731-M735 VanDerWaalsContact O-CB 3.31Å; D731-M735 WeakPolarHBondContact O-CB 3.45Å; D731-M735 PolarHBondContact O-N 3.36Å; V732-M735 PolarHBondContact O-N 3.46Å; M735-R738 WeakPolarHBondContact O-CB 3.28Å; M735-R738 PolarHBondContact O-N 3.36Å; M735-V739 WeakPolarHBondContact O-CG2 3.48Å; M735-V739 PolarHBondContact O-N 3.12Å |
| 736 | A | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L691 I720 W723 V732 R733 R738 V739 V740 | L691-A736 HydrophobicContact CD1-CB 3.96Å; L691-A736 HydrophobicContact CD2-CB 4.43Å; I720-A736 HydrophobicContact CG2-CB 4.27Å; W723-A736 HydrophobicContact CB-CB 3.89Å; V732-A736 WeakPolarHBondContact O-CB 3.37Å; V732-A736 PolarHBondContact O-N 3.39Å; R733-A736 PolarHBondContact O-N 3.35Å; A736-R738 VanDerWaalsContact C-N 3.29Å; A736-R738 PolarHBondContact O-N 2.85Å; A736-V739 PolarHBondContact O-N 3.22Å; A736-V739 VanDerWaalsContact O-N 3.17Å; A736-V740 WeakPolarHBondContact O-CG2 3.34Å; A736-V740 PolarHBondContact O-N 3.41Å |
| 737 | S | 95.4 | Very high | 92.6 | Very high | 27 Ų | 27 | 39.8 Ų | 39.8 | 19% | 0.189 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.3 | -40.6 | 171.8 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | R733 V740 I741 | R733-S737 WeakPolarHBondContact O-CB 3.43Å; R733-S737 PolarHBondContact O-N 3.44Å; R733-S737 PolarHBondContact O-OG 2.96Å; R733-S737 VanDerWaalsContact O-OG 3.12Å; S737-V740 PolarHBondContact O-N 2.96Å; S737-I741 WeakPolarHBondContact O-CB 3.19Å; S737-I741 WeakPolarHBondContact O-CD1 3.35Å; S737-I741 WeakPolarHBondContact O-CG1 3.47Å; S737-I741 PolarHBondContact O-N 3.42Å |
| 738 | R | 94.1 | Very high | 92.8 | Very high | 131 Ų | 131 | 35.4 Ų | 35.4 | 49% | 0.494 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63 | -40.6 | 174.2 | -78 | 175.6 | 168.1 | -169.6 | -6.5 | 112.8 | K695 R734 M735 A736 I741 K742 | K695-R738 HydrophobicContact CG-CB 4.45Å; R734-R738 WeakPolarHBondContact O-CG 3.48Å; R734-R738 PolarHBondContact O-N 3.45Å; M735-R738 WeakPolarHBondContact O-CB 3.28Å; M735-R738 PolarHBondContact O-N 3.36Å; A736-R738 VanDerWaalsContact C-N 3.29Å; A736-R738 PolarHBondContact O-N 2.85Å; R738-I741 PolarHBondContact O-N 3.29Å; R738-K742 WeakPolarHBondContact O-CG 3.35Å; R738-K742 PolarHBondContact O-N 3.25Å |
| 739 | V | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.5 | -43.2 | 175.4 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | L691 M694 K695 I698 I720 M735 A736 I741 K742 L743 | L691-V739 HydrophobicContact CB-CG2 4.16Å; L691-V739 HydrophobicContact CD2-CB 4.35Å; L691-V739 HydrophobicContact CD2-CG2 3.96Å; L691-V739 WeakPolarHBondContact O-CG2 3.12Å; M694-V739 HydrophobicContact CB-CG2 4.28Å; K695-V739 HydrophobicContact CB-CG2 4Å; I698-V739 HydrophobicContact CD1-CG1 3.78Å; I720-V739 HydrophobicContact CD1-CG1 4.14Å; I720-V739 HydrophobicContact CG2-CB 4.09Å; I720-V739 HydrophobicContact CG2-CG1 3.92Å; M735-V739 WeakPolarHBondContact O-CG2 3.48Å; M735-V739 PolarHBondContact O-N 3.12Å; A736-V739 PolarHBondContact O-N 3.22Å; A736-V739 VanDerWaalsContact O-N 3.17Å; V739-I741 VanDerWaalsContact C-N 3.31Å; V739-I741 PolarHBondContact O-N 2.86Å; V739-K742 PolarHBondContact O-N 3Å; V739-K742 VanDerWaalsContact O-N 3.12Å; V739-L743 HydrophobicContact CG1-CD1 4.23Å; V739-L743 WeakPolarHBondContact O-CG 3.22Å; V739-L743 PolarHBondContact O-N 3.28Å |
| 740 | V | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 174 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | I720 I721 A736 S737 F744 F751 V769 L770 | I720-V740 HydrophobicContact CG2-CG2 4.16Å; I721-V740 HydrophobicContact CB-CG2 4.39Å; I721-V740 HydrophobicContact CG1-CG2 3.58Å; A736-V740 WeakPolarHBondContact O-CG2 3.34Å; A736-V740 PolarHBondContact O-N 3.41Å; S737-V740 PolarHBondContact O-N 2.96Å; V740-F744 WeakPolarHBondContact O-CB 3.45Å; V740-F744 PolarHBondContact O-N 2.64Å; V740-F751 HydrophobicContact CG1-CZ 4.14Å; V740-V769 HydrophobicContact CB-CG1 4.33Å; V740-V769 HydrophobicContact CG1-CG1 4.04Å; V740-L770 HydrophobicContact CG1-CD2 4.23Å; V740-L770 HydrophobicContact CG1-CG 4.39Å |
| 741 | I | 93.8 | Very high | 92.6 | Very high | 23 Ų | 23 | 31 Ų | 31 | 12% | 0.118 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 173.4 | -70.2 | 160.7 | 0 | 0 | 0 | 110.6 | S737 R738 V739 L743 F744 D745 V769 L770 Y773 | S737-I741 WeakPolarHBondContact O-CB 3.19Å; S737-I741 WeakPolarHBondContact O-CD1 3.35Å; S737-I741 WeakPolarHBondContact O-CG1 3.47Å; S737-I741 PolarHBondContact O-N 3.42Å; R738-I741 PolarHBondContact O-N 3.29Å; V739-I741 VanDerWaalsContact C-N 3.31Å; V739-I741 PolarHBondContact O-N 2.86Å; I741-L743 PolarHBondContact O-N 2.87Å; I741-F744 CarbonylContact O-C 3.58Å; I741-F744 WeakPolarHBondContact O-CB 3.38Å; I741-F744 PolarHBondContact O-N 2.89Å; I741-F744 VanDerWaalsContact O-N 3.17Å; I741-D745 WeakPolarHBondContact O-CB 3.37Å; I741-D745 VanDerWaalsContact O-CG 3.32Å; I741-D745 PolarHBondContact O-N 2.8Å; I741-V769 HydrophobicContact CG1-CG1 4.34Å; I741-L770 HydrophobicContact CG1-CD2 4.16Å; I741-Y773 HydrophobicContact CB-CD1 4.42Å; I741-Y773 HydrophobicContact CB-CE1 4.49Å; I741-Y773 HydrophobicContact CD1-CD1 4.35Å; I741-Y773 HydrophobicContact CD1-CD2 3.86Å; I741-Y773 HydrophobicContact CD1-CG 3.73Å; I741-Y773 HydrophobicContact CG1-CD1 3.89Å; I741-Y773 HydrophobicContact CG1-CD2 4.28Å; I741-Y773 HydrophobicContact CG1-CE1 4.44Å; I741-Y773 HydrophobicContact CG1-CG 3.77Å; I741-Y773 HydrophobicContact CG2-CD1 3.78Å; I741-Y773 HydrophobicContact CG2-CD2 4.14Å; I741-Y773 HydrophobicContact CG2-CE1 3.44Å; I741-Y773 VanDerWaalsContact CG2-CE1 3.44Å; I741-Y773 HydrophobicContact CG2-CE2 3.84Å; I741-Y773 HydrophobicContact CG2-CG 4.1Å; I741-Y773 VanDerWaalsContact CG2-CZ 3.45Å |
| 742 | K | 92.8 | Very high | 92.5 | Very high | 29 Ų | 29 | 29.8 Ų | 29.8 | 13% | 0.126 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.8 | -26.9 | -179.3 | -67.6 | -43.9 | -171.4 | 179.3 | 0 | 115.1 | K695 I698 L699 R738 V739 D745 L746 L807 | K695-K742 HydrophobicContact CG-CG 4.43Å; I698-K742 HydrophobicContact CB-CB 4.48Å; I698-K742 HydrophobicContact CG2-CB 3.87Å; I698-K742 WeakPolarHBondContact CG2-O 3.26Å; L699-K742 HydrophobicContact CD1-CD 4.4Å; L699-K742 HydrophobicContact CD1-CG 4.26Å; L699-K742 HydrophobicContact CD2-CD 3.78Å; L699-K742 HydrophobicContact CD2-CG 4.27Å; L699-K742 HydrophobicContact CG-CD 4.31Å; L699-K742 HydrophobicContact CG-CG 4.27Å; R738-K742 WeakPolarHBondContact O-CG 3.35Å; R738-K742 PolarHBondContact O-N 3.25Å; V739-K742 PolarHBondContact O-N 3Å; V739-K742 VanDerWaalsContact O-N 3.12Å; K742-D745 HydrophobicContact CD-CB 4.27Å; K742-D745 WeakPolarHBondContact CD-OD2 3.3Å; K742-D745 IonicContact NZ-OD2 3.5Å; K742-D745 PolarHBondContact NZ-OD2 3.41Å; K742-L746 VanDerWaalsContact O-CB 3.27Å; K742-L746 WeakPolarHBondContact O-CB 3.4Å; K742-L746 PolarHBondContact O-N 2.89Å; K742-L807 PolarHBondContact NZ-O 3.05Å |
| 743 | L | 92.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.8 | -36.6 | 168.2 | -66.3 | 171.5 | 0 | 0 | 0 | 112.2 | F668 I698 I706 V717 V739 I741 F751 | F668-L743 HydrophobicContact CE2-CD2 4.15Å; F668-L743 HydrophobicContact CZ-CD2 4.15Å; I698-L743 HydrophobicContact CD1-CD2 3.66Å; I698-L743 HydrophobicContact CD1-CG 3.89Å; I698-L743 HydrophobicContact CG1-CD2 4.02Å; I698-L743 HydrophobicContact CG2-CD2 4.36Å; I706-L743 WeakPolarHBondContact CD1-O 3.47Å; I706-L743 HydrophobicContact CG2-CD2 4.41Å; V717-L743 HydrophobicContact CG1-CD1 3.99Å; V717-L743 HydrophobicContact CG2-CD1 3.73Å; V739-L743 HydrophobicContact CG1-CD1 4.23Å; V739-L743 WeakPolarHBondContact O-CG 3.22Å; V739-L743 PolarHBondContact O-N 3.28Å; I741-L743 PolarHBondContact O-N 2.87Å; L743-F751 HydrophobicContact CB-CD2 3.66Å; L743-F751 HydrophobicContact CB-CE2 3.64Å; L743-F751 HydrophobicContact CD1-CE2 4.16Å |
| 744 | F | 92.6 | Very high | 92 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.2 | -35.3 | 173.4 | 162.5 | -72.5 | 0 | 0 | 0 | 112.9 | V740 I741 S748 F751 L770 Y773 Q774 K804 | V740-F744 WeakPolarHBondContact O-CB 3.45Å; V740-F744 PolarHBondContact O-N 2.64Å; I741-F744 CarbonylContact O-C 3.58Å; I741-F744 WeakPolarHBondContact O-CB 3.38Å; I741-F744 PolarHBondContact O-N 2.89Å; I741-F744 VanDerWaalsContact O-N 3.17Å; F744-S748 WeakPolarHBondContact O-CA 3.38Å; F744-S748 WeakPolarHBondContact O-CB 3.44Å; F744-S748 PolarHBondContact O-N 3.27Å; F744-F751 HydrophobicContact CB-CD1 3.91Å; F744-F751 HydrophobicContact CB-CE1 4.18Å; F744-F751 HydrophobicContact CB-CG 4.47Å; F744-L770 HydrophobicContact CB-CD2 3.83Å; F744-L770 HydrophobicContact CD1-CD2 4.15Å; F744-L770 HydrophobicContact CD2-CB 4.25Å; F744-L770 HydrophobicContact CD2-CD1 3.3Å; F744-L770 HydrophobicContact CD2-CD2 3.2Å; F744-L770 HydrophobicContact CD2-CG 3.69Å; F744-L770 HydrophobicContact CE1-CD2 4.42Å; F744-L770 HydrophobicContact CE2-CB 3.76Å; F744-L770 HydrophobicContact CE2-CD1 3.61Å; F744-L770 HydrophobicContact CE2-CD2 3.45Å; F744-L770 VanDerWaalsContact CE2-CD2 3.45Å; F744-L770 HydrophobicContact CE2-CG 3.74Å; F744-L770 HydrophobicContact CG-CD1 4.32Å; F744-L770 HydrophobicContact CG-CD2 3.55Å; F744-L770 HydrophobicContact CG-CG 4.48Å; F744-L770 HydrophobicContact CZ-CB 4.48Å; F744-L770 HydrophobicContact CZ-CD2 4.07Å; F744-Y773 HydrophobicContact CD1-CE1 4.24Å; F744-Y773 AromaticContact CE1-CD1 3.99Å; F744-Y773 HydrophobicContact CE1-CD1 3.99Å; F744-Y773 AromaticContact CE1-CE1 3.81Å; F744-Y773 HydrophobicContact CE1-CE1 3.81Å; F744-Y773 HydrophobicContact CZ-CD1 4.35Å; F744-Q774 HydrophobicContact CZ-CG 4.47Å; F744-K804 HydrophobicContact CD1-CD 4.15Å; F744-K804 HydrophobicContact CD2-CD 3.68Å; F744-K804 HydrophobicContact CE1-CB 4.03Å; F744-K804 HydrophobicContact CE1-CD 3.74Å; F744-K804 HydrophobicContact CE1-CG 4.1Å; F744-K804 HydrophobicContact CE2-CD 3.31Å; F744-K804 HydrophobicContact CE2-CG 4.27Å; F744-K804 HydrophobicContact CG-CD 4.14Å; F744-K804 HydrophobicContact CZ-CB 4.28Å; F744-K804 HydrophobicContact CZ-CD 3.34Å; F744-K804 HydrophobicContact CZ-CG 3.83Å |
| 745 | D | 90.4 | Very high | 91.9 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 5% | 0.048 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.6 | -53.6 | 174.3 | -76 | 13.1 | 0 | 0 | 0 | 109.4 | I741 K742 N747 Y773 S806 L807 | I741-D745 WeakPolarHBondContact O-CB 3.37Å; I741-D745 VanDerWaalsContact O-CG 3.32Å; I741-D745 PolarHBondContact O-N 2.8Å; K742-D745 HydrophobicContact CD-CB 4.27Å; K742-D745 WeakPolarHBondContact CD-OD2 3.3Å; K742-D745 IonicContact NZ-OD2 3.5Å; K742-D745 PolarHBondContact NZ-OD2 3.41Å; D745-N747 PolarHBondContact O-N 2.86Å; D745-Y773 PolarHBondContact OD1-OH 3.26Å; D745-S806 WeakPolarHBondContact CA-OG 3.17Å; D745-S806 VanDerWaalsContact CB-OG 3.26Å; D745-S806 WeakPolarHBondContact CB-OG 3.18Å; D745-S806 PolarHBondContact O-OG 2.76Å; D745-L807 PolarHBondContact OD2-N 2.84Å |
| 746 | L | 88 | Confident | 91.7 | Very high | 39 Ų | 39 | 29.7 Ų | 29.7 | 20% | 0.204 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -53.7 | -57.2 | -170.6 | 173.5 | 63.4 | 0 | 0 | 0 | 114.2 | I698 M701 P703 K742 | I698-L746 HydrophobicContact CG2-CB 4.12Å; I698-L746 HydrophobicContact CG2-CD2 4.01Å; M701-L746 HydrophobicContact CB-CD2 4.15Å; M701-L746 WeakPolarHBondContact O-CD1 3.4Å; P703-L746 HydrophobicContact CB-CD1 4.46Å; P703-L746 WeakPolarHBondContact CB-O 3.4Å; K742-L746 VanDerWaalsContact O-CB 3.27Å; K742-L746 WeakPolarHBondContact O-CB 3.4Å; K742-L746 PolarHBondContact O-N 2.89Å |
| 747 | N | 87.6 | Confident | 91.4 | Very high | 35 Ų | 35 | 33.5 Ų | 33.5 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -144.3 | 92.1 | 169.5 | -176.7 | -23.1 | 0 | 0 | 0 | 108.8 | P703 I706 D745 T749 S750 F751 | P703-N747 HydrophobicContact CB-CB 3.98Å; P703-N747 WeakPolarHBondContact O-CB 3.47Å; P703-N747 PolarHBondContact O-ND2 3.48Å; I706-N747 HydrophobicContact CD1-CB 3.97Å; I706-N747 WeakPolarHBondContact CD1-O 3.39Å; I706-N747 HydrophobicContact CG1-CB 3.93Å; D745-N747 PolarHBondContact O-N 2.86Å; N747-T749 VanDerWaalsContact C-N 3.34Å; N747-T749 PolarHBondContact O-N 3.38Å; N747-T749 PolarHBondContact OD1-N 3.03Å; N747-S750 VanDerWaalsContact CG-OG 3.25Å; N747-S750 PolarHBondContact ND2-OG 3.33Å; N747-S750 PolarHBondContact O-N 3.06Å; N747-S750 WeakPolarHBondContact OD1-CB 3.4Å; N747-S750 PolarHBondContact OD1-N 2.97Å; N747-S750 PolarHBondContact OD1-OG 2.89Å; N747-F751 WeakPolarHBondContact O-CB 3.25Å; N747-F751 PolarHBondContact O-N 3.17Å |
| 748 | S | 89.1 | Confident | 91.2 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 8% | 0.084 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -40.1 | -172.4 | 67.3 | 0 | 0 | 0 | 0 | 113 | F744 S752 R803 | F744-S748 WeakPolarHBondContact O-CA 3.38Å; F744-S748 WeakPolarHBondContact O-CB 3.44Å; F744-S748 PolarHBondContact O-N 3.27Å; S748-S752 PolarHBondContact O-N 3.37Å; S748-S752 PolarHBondContact O-OG 2.85Å; S748-R803 WeakPolarHBondContact O-CD 3.44Å; S748-R803 PolarHBondContact O-NH1 3.27Å; S748-R803 WeakPolarHBondContact OG-CB 3.25Å; S748-R803 PolarHBondContact OG-O 2.86Å |
| 749 | T | 88.1 | Confident | 91.1 | Very high | 50 Ų | 50 | 30.8 Ų | 30.8 | 31% | 0.307 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -47.5 | 177.7 | -62.4 | 0 | 0 | 0 | 0 | 111.2 | N747 F751 S752 L802 | N747-T749 VanDerWaalsContact C-N 3.34Å; N747-T749 PolarHBondContact O-N 3.38Å; N747-T749 PolarHBondContact OD1-N 3.03Å; T749-F751 VanDerWaalsContact C-N 3.29Å; T749-F751 PolarHBondContact O-N 3.16Å; T749-S752 WeakPolarHBondContact O-CA 3.5Å; T749-S752 WeakPolarHBondContact O-CB 3.4Å; T749-S752 PolarHBondContact O-N 3.27Å; T749-S752 PolarHBondContact O-OG 3.5Å; T749-L802 PolarHBondContact OG1-O 2.68Å; T749-L802 VanDerWaalsContact OG1-O 3.07Å |
| 750 | S | 88.4 | Confident | 90.8 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -36.3 | 175.5 | -64.1 | 0 | 0 | 0 | 0 | 112.7 | I706 A707 N747 S752 N753 L754 | I706-S750 WeakPolarHBondContact O-CB 3.49Å; A707-S750 WeakPolarHBondContact CA-OG 3.48Å; N747-S750 VanDerWaalsContact CG-OG 3.25Å; N747-S750 PolarHBondContact ND2-OG 3.33Å; N747-S750 PolarHBondContact O-N 3.06Å; N747-S750 WeakPolarHBondContact OD1-CB 3.4Å; N747-S750 PolarHBondContact OD1-N 2.97Å; N747-S750 PolarHBondContact OD1-OG 2.89Å; S750-S752 PolarHBondContact O-N 3.37Å; S750-N753 PolarHBondContact O-N 3.35Å; S750-N753 VanDerWaalsContact O-N 3.07Å; S750-L754 PolarHBondContact O-N 2.84Å; S750-L754 VanDerWaalsContact O-N 3.11Å |
| 751 | F | 91.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -15.1 | 171.5 | -165.7 | -102.8 | 0 | 0 | 0 | 113.6 | I706 V717 V740 L743 F744 N747 T749 L755 L770 | I706-F751 HydrophobicContact CD1-CB 4.23Å; V717-F751 HydrophobicContact CG1-CE2 3.98Å; V740-F751 HydrophobicContact CG1-CZ 4.14Å; L743-F751 HydrophobicContact CB-CD2 3.66Å; L743-F751 HydrophobicContact CB-CE2 3.64Å; L743-F751 HydrophobicContact CD1-CE2 4.16Å; F744-F751 HydrophobicContact CB-CD1 3.91Å; F744-F751 HydrophobicContact CB-CE1 4.18Å; F744-F751 HydrophobicContact CB-CG 4.47Å; N747-F751 WeakPolarHBondContact O-CB 3.25Å; N747-F751 PolarHBondContact O-N 3.17Å; T749-F751 VanDerWaalsContact C-N 3.29Å; T749-F751 PolarHBondContact O-N 3.16Å; F751-L755 HydrophobicContact CD1-CD1 4.01Å; F751-L755 HydrophobicContact CD1-CG 4.25Å; F751-L755 HydrophobicContact CE1-CD1 3.64Å; F751-L755 HydrophobicContact CE1-CD2 4.2Å; F751-L755 HydrophobicContact CE1-CG 3.87Å; F751-L755 HydrophobicContact CZ-CD1 4.37Å; F751-L755 HydrophobicContact CZ-CD2 4.11Å; F751-L755 HydrophobicContact CZ-CG 4.17Å; F751-L755 WeakPolarHBondContact O-CG 3.41Å; F751-L755 PolarHBondContact O-N 2.96Å; F751-L770 HydrophobicContact CE1-CD1 4.1Å |
| 752 | S | 90.4 | Very high | 90.5 | Very high | 19 Ų | 19 | 43.9 Ų | 43.9 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.2 | -48.7 | 167.8 | -28.3 | 0 | 0 | 0 | 0 | 110.8 | S748 T749 S750 L755 Q756 R803 | S748-S752 PolarHBondContact O-N 3.37Å; S748-S752 PolarHBondContact O-OG 2.85Å; T749-S752 WeakPolarHBondContact O-CA 3.5Å; T749-S752 WeakPolarHBondContact O-CB 3.4Å; T749-S752 PolarHBondContact O-N 3.27Å; T749-S752 PolarHBondContact O-OG 3.5Å; S750-S752 PolarHBondContact O-N 3.37Å; S752-L755 PolarHBondContact O-N 3.38Å; S752-Q756 WeakPolarHBondContact O-CG 3.18Å; S752-Q756 PolarHBondContact O-N 3.25Å; S752-Q756 VanDerWaalsContact O-N 3.1Å; S752-R803 VanDerWaalsContact CB-CZ 3.41Å; S752-R803 VanDerWaalsContact N-NH1 3.17Å; S752-R803 WeakPolarHBondContact OG-CD 3.42Å; S752-R803 PolarHBondContact OG-NE 2.75Å; S752-R803 PolarHBondContact OG-NH1 3.15Å; S752-R803 VanDerWaalsContact OG-NH1 3.12Å; S752-R803 PolarHBondContact OG-NH2 2.9Å |
| 753 | N | 89.9 | Confident | 90.5 | Very high | 87 Ų | 87 | 44.7 Ų | 44.7 | 47% | 0.465 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71.8 | -40.2 | -169.3 | -55.7 | -3.8 | 0 | 0 | 0 | 109.2 | S750 L755 Q756 S757 | S750-N753 PolarHBondContact O-N 3.35Å; S750-N753 VanDerWaalsContact O-N 3.07Å; N753-L755 PolarHBondContact O-N 2.99Å; N753-Q756 WeakPolarHBondContact O-CB 3.49Å; N753-Q756 PolarHBondContact O-N 3.47Å; N753-S757 PolarHBondContact O-N 3.4Å; N753-S757 PolarHBondContact O-OG 3.5Å |
| 754 | L | 90.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.6 | -44.8 | 170.7 | -169.1 | 160.8 | 0 | 0 | 0 | 112.1 | P709 I714 V717 S750 Q756 S757 L758 | P709-L754 HydrophobicContact CB-CD1 4.18Å; P709-L754 HydrophobicContact CG-CD1 4.17Å; P709-L754 HydrophobicContact CG-CG 4.38Å; I714-L754 HydrophobicContact CG1-CG 4.33Å; V717-L754 HydrophobicContact CB-CD1 4.48Å; V717-L754 HydrophobicContact CB-CD2 3.95Å; V717-L754 HydrophobicContact CG1-CD1 4.46Å; V717-L754 HydrophobicContact CG1-CD2 3.56Å; V717-L754 HydrophobicContact CG2-CD1 4.3Å; S750-L754 PolarHBondContact O-N 2.84Å; S750-L754 VanDerWaalsContact O-N 3.11Å; L754-Q756 VanDerWaalsContact C-N 3.32Å; L754-Q756 PolarHBondContact O-N 2.89Å; L754-S757 WeakPolarHBondContact O-CB 3.31Å; L754-S757 PolarHBondContact O-N 2.73Å; L754-L758 HydrophobicContact CD2-CD1 3.95Å |
| 755 | L | 91.9 | Very high | 90.4 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 177.4 | -76.8 | 179.7 | 0 | 0 | 0 | 112.5 | I721 F751 S752 N753 S757 L758 Q763 A766 | I721-L755 HydrophobicContact CD1-CD2 3.61Å; F751-L755 HydrophobicContact CD1-CD1 4.01Å; F751-L755 HydrophobicContact CD1-CG 4.25Å; F751-L755 HydrophobicContact CE1-CD1 3.64Å; F751-L755 HydrophobicContact CE1-CD2 4.2Å; F751-L755 HydrophobicContact CE1-CG 3.87Å; F751-L755 HydrophobicContact CZ-CD1 4.37Å; F751-L755 HydrophobicContact CZ-CD2 4.11Å; F751-L755 HydrophobicContact CZ-CG 4.17Å; F751-L755 WeakPolarHBondContact O-CG 3.41Å; F751-L755 PolarHBondContact O-N 2.96Å; S752-L755 PolarHBondContact O-N 3.38Å; N753-L755 PolarHBondContact O-N 2.99Å; L755-S757 PolarHBondContact O-N 2.9Å; L755-L758 HydrophobicContact CD2-CD1 4.3Å; L755-L758 PolarHBondContact O-N 3.43Å; L755-Q763 VanDerWaalsContact O-CD 3.25Å; L755-Q763 VanDerWaalsContact O-CG 3.25Å; L755-Q763 WeakPolarHBondContact O-CG 3.48Å; L755-Q763 PolarHBondContact O-NE2 3.25Å; L755-Q763 VanDerWaalsContact O-NE2 3.14Å; L755-A766 HydrophobicContact CD1-CB 4.02Å; L755-A766 HydrophobicContact CD2-CB 3.59Å; L755-A766 HydrophobicContact CG-CB 4.5Å |
| 756 | Q | 90.6 | Very high | 90.5 | Very high | 140 Ų | 140 | 52.1 Ų | 52.1 | 65% | 0.654 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.6 | -27.3 | 178.2 | -71.7 | 171.8 | -10.1 | 0 | 0 | 112.7 | S752 N753 L754 L758 | S752-Q756 WeakPolarHBondContact O-CG 3.18Å; S752-Q756 PolarHBondContact O-N 3.25Å; S752-Q756 VanDerWaalsContact O-N 3.1Å; N753-Q756 WeakPolarHBondContact O-CB 3.49Å; N753-Q756 PolarHBondContact O-N 3.47Å; L754-Q756 VanDerWaalsContact C-N 3.32Å; L754-Q756 PolarHBondContact O-N 2.89Å; Q756-L758 VanDerWaalsContact C-N 3.29Å; Q756-L758 PolarHBondContact O-N 3.41Å |
| 757 | S | 89.7 | Confident | 90.8 | Very high | 80 Ų | 80 | 54.4 Ų | 54.4 | 56% | 0.559 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -5.8 | 174.8 | -49.7 | 0 | 0 | 0 | 0 | 114.7 | N753 L754 L755 | N753-S757 PolarHBondContact O-N 3.4Å; N753-S757 PolarHBondContact O-OG 3.5Å; L754-S757 WeakPolarHBondContact O-CB 3.31Å; L754-S757 PolarHBondContact O-N 2.73Å; L755-S757 PolarHBondContact O-N 2.9Å |
| 758 | L | 91.3 | Very high | 91 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -103.4 | 155.8 | -175.8 | -73.1 | 170.9 | 0 | 0 | 0 | 113 | I714 I721 L754 L755 Q756 V762 Q763 | I714-L758 HydrophobicContact CG2-CD2 3.92Å; I714-L758 HydrophobicContact CG2-CG 4.11Å; I721-L758 HydrophobicContact CD1-CD1 3.9Å; L754-L758 HydrophobicContact CD2-CD1 3.95Å; L755-L758 HydrophobicContact CD2-CD1 4.3Å; L755-L758 PolarHBondContact O-N 3.43Å; Q756-L758 VanDerWaalsContact C-N 3.29Å; Q756-L758 PolarHBondContact O-N 3.41Å; L758-V762 HydrophobicContact CB-CB 4.42Å; L758-V762 HydrophobicContact CB-CG1 4.39Å; L758-V762 HydrophobicContact CD1-CG1 4.16Å; L758-Q763 PolarHBondContact O-NE2 3.46Å |
| 759 | P | 92.6 | Very high | 91.1 | Very high | 90 Ų | 90 | 57 Ų | 57 | 58% | 0.584 | 30% | 0.302 | S | S | * | . | trans | -59.4 | 145.3 | 177.7 | -23.5 | 34 | 0 | 0 | 0 | 112.9 | G761 V762 Q763 | P759-G761 PolarHBondContact O-N 3.12Å; P759-V762 HydrophobicContact CB-CG2 4.31Å; P759-V762 HydrophobicContact CG-CG2 4.46Å; P759-V762 WeakPolarHBondContact O-CA 3.48Å; P759-V762 VanDerWaalsContact O-CB 3.3Å; P759-V762 WeakPolarHBondContact O-CB 3.43Å; P759-V762 PolarHBondContact O-N 2.84Å; P759-Q763 PolarHBondContact O-N 3.13Å; P759-Q763 VanDerWaalsContact O-N 3.13Å | ||
| 760 | R | 89.5 | Confident | 91.4 | Very high | 213 Ų | 213 | 54.7 Ų | 54.7 | 80% | 0.804 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -49.5 | -50.7 | -172 | -59.3 | -172.7 | -163.2 | -142.5 | 4.3 | 113.7 | V762 Q763 D764 | R760-V762 PolarHBondContact O-N 3.18Å; R760-V762 VanDerWaalsContact O-N 3.09Å; R760-Q763 CarbonylContact O-C 3.5Å; R760-Q763 WeakPolarHBondContact O-CA 3.42Å; R760-Q763 VanDerWaalsContact O-CB 3.27Å; R760-Q763 WeakPolarHBondContact O-CB 3.4Å; R760-Q763 PolarHBondContact O-N 3.49Å; R760-D764 VanDerWaalsContact C-OD2 3.3Å; R760-D764 VanDerWaalsContact O-CG 3.25Å; R760-D764 PolarHBondContact O-N 2.98Å; R760-D764 VanDerWaalsContact O-OD2 3.06Å |
| 761 | G | 90.2 | Very high | 91.4 | Very high | 54 Ų | 54 | 60.5 Ų | 60.5 | 56% | 0.557 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.8 | -22.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | P759 R765 | P759-G761 PolarHBondContact O-N 3.12Å; G761-R765 WeakPolarHBondContact O-CB 3.2Å; G761-R765 PolarHBondContact O-N 2.93Å |
| 762 | V | 92.3 | Very high | 91.1 | Very high | 31 Ų | 31 | 64 Ų | 64 | 19% | 0.188 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -77.8 | -41.8 | 170.3 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | I721 L758 P759 R760 R765 A766 | I721-V762 HydrophobicContact CB-CG1 3.76Å; I721-V762 HydrophobicContact CD1-CG1 4.07Å; I721-V762 HydrophobicContact CG2-CG1 3.62Å; I721-V762 VanDerWaalsContact CG2-O 3.28Å; I721-V762 WeakPolarHBondContact CG2-O 3.35Å; L758-V762 HydrophobicContact CB-CB 4.42Å; L758-V762 HydrophobicContact CB-CG1 4.39Å; L758-V762 HydrophobicContact CD1-CG1 4.16Å; P759-V762 HydrophobicContact CB-CG2 4.31Å; P759-V762 HydrophobicContact CG-CG2 4.46Å; P759-V762 WeakPolarHBondContact O-CA 3.48Å; P759-V762 VanDerWaalsContact O-CB 3.3Å; P759-V762 WeakPolarHBondContact O-CB 3.43Å; P759-V762 PolarHBondContact O-N 2.84Å; R760-V762 PolarHBondContact O-N 3.18Å; R760-V762 VanDerWaalsContact O-N 3.09Å; V762-R765 PolarHBondContact O-N 3.41Å; V762-A766 PolarHBondContact O-N 2.72Å |
| 763 | Q | 93 | Very high | 90.9 | Very high | 47 Ų | 47 | 64.9 Ų | 64.9 | 22% | 0.22 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 171.7 | -51.9 | -173 | 18.5 | 0 | 0 | 111.4 | L755 L758 P759 R760 R765 A766 H767 | L755-Q763 VanDerWaalsContact O-CD 3.25Å; L755-Q763 VanDerWaalsContact O-CG 3.25Å; L755-Q763 WeakPolarHBondContact O-CG 3.48Å; L755-Q763 PolarHBondContact O-NE2 3.25Å; L755-Q763 VanDerWaalsContact O-NE2 3.14Å; L758-Q763 PolarHBondContact O-NE2 3.46Å; P759-Q763 PolarHBondContact O-N 3.13Å; P759-Q763 VanDerWaalsContact O-N 3.13Å; R760-Q763 CarbonylContact O-C 3.5Å; R760-Q763 WeakPolarHBondContact O-CA 3.42Å; R760-Q763 VanDerWaalsContact O-CB 3.27Å; R760-Q763 WeakPolarHBondContact O-CB 3.4Å; R760-Q763 PolarHBondContact O-N 3.49Å; Q763-R765 VanDerWaalsContact C-N 3.32Å; Q763-R765 PolarHBondContact O-N 2.84Å; Q763-A766 WeakPolarHBondContact O-CB 3.33Å; Q763-A766 PolarHBondContact O-N 2.75Å; Q763-A766 VanDerWaalsContact O-N 3.17Å; Q763-H767 PolarHBondContact O-N 2.58Å; Q763-H767 PolarHBondContact O-ND1 2.85Å |
| 764 | D | 92.4 | Very high | 90.6 | Very high | 104 Ų | 104 | 64.7 Ų | 64.7 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.4 | -44 | 178.9 | -62.2 | -40.7 | 0 | 0 | 0 | 110.8 | R760 H767 E768 | R760-D764 VanDerWaalsContact C-OD2 3.3Å; R760-D764 VanDerWaalsContact O-CG 3.25Å; R760-D764 PolarHBondContact O-N 2.98Å; R760-D764 VanDerWaalsContact O-OD2 3.06Å; D764-H767 CarbonylContact O-C 3.58Å; D764-H767 PolarHBondContact O-N 3.04Å; D764-E768 PolarHBondContact O-N 3.26Å |
| 765 | R | 91.5 | Very high | 90.1 | Very high | 61 Ų | 61 | 71.6 Ų | 71.6 | 23% | 0.23 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.5 | -38 | 175.7 | -174.7 | 59.9 | -176.2 | -175.1 | 7.1 | 112.8 | I721 S724 G761 V762 Q763 E768 V769 | I721-R765 HydrophobicContact CG2-CB 4.12Å; I721-R765 HydrophobicContact CG2-CG 4.2Å; S724-R765 PolarHBondContact O-NH2 3.09Å; S724-R765 VanDerWaalsContact OG-CG 3.31Å; S724-R765 WeakPolarHBondContact OG-CG 3.37Å; S724-R765 PolarHBondContact OG-NE 3.07Å; G761-R765 WeakPolarHBondContact O-CB 3.2Å; G761-R765 PolarHBondContact O-N 2.93Å; V762-R765 PolarHBondContact O-N 3.41Å; Q763-R765 VanDerWaalsContact C-N 3.32Å; Q763-R765 PolarHBondContact O-N 2.84Å; R765-E768 VanDerWaalsContact CD-OE2 3.32Å; R765-E768 WeakPolarHBondContact CD-OE2 3.26Å; R765-E768 IonicContact CZ-OE1 3.53Å; R765-E768 IonicContact CZ-OE2 3.09Å; R765-E768 IonicContact NE-OE2 3.81Å; R765-E768 IonicContact NH1-OE1 2.67Å; R765-E768 PolarHBondContact NH1-OE1 2.85Å; R765-E768 IonicContact NH1-OE2 3.76Å; R765-E768 PolarHBondContact NH1-OE2 3.24Å; R765-E768 PolarHBondContact O-N 3.48Å; R765-V769 WeakPolarHBondContact O-CG2 3.23Å; R765-V769 PolarHBondContact O-N 2.86Å |
| 766 | A | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62 | -47.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I721 L755 V762 Q763 E768 V769 L770 | I721-A766 HydrophobicContact CD1-CB 4.16Å; I721-A766 HydrophobicContact CG1-CB 4.38Å; I721-A766 HydrophobicContact CG2-CB 4.01Å; L755-A766 HydrophobicContact CD1-CB 4.02Å; L755-A766 HydrophobicContact CD2-CB 3.59Å; L755-A766 HydrophobicContact CG-CB 4.5Å; V762-A766 PolarHBondContact O-N 2.72Å; Q763-A766 WeakPolarHBondContact O-CB 3.33Å; Q763-A766 PolarHBondContact O-N 2.75Å; Q763-A766 VanDerWaalsContact O-N 3.17Å; A766-E768 VanDerWaalsContact C-N 3.3Å; A766-E768 PolarHBondContact O-N 3.01Å; A766-V769 PolarHBondContact O-N 3.45Å; A766-L770 WeakPolarHBondContact O-CB 2.87Å; A766-L770 WeakPolarHBondContact O-CD1 3.11Å; A766-L770 WeakPolarHBondContact O-CG 3.01Å; A766-L770 PolarHBondContact O-N 3.48Å |
| 767 | H | 93.2 | Very high | 87.5 | Confident | 87 Ų | 87 | 72.3 Ų | 72.3 | 40% | 0.403 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62 | -34.3 | 176.7 | -68.3 | 114.3 | 0 | 0 | 0 | 112.9 | Q763 D764 L770 K771 | Q763-H767 PolarHBondContact O-N 2.58Å; Q763-H767 PolarHBondContact O-ND1 2.85Å; D764-H767 CarbonylContact O-C 3.58Å; D764-H767 PolarHBondContact O-N 3.04Å; H767-L770 PolarHBondContact O-N 3.37Å; H767-K771 WeakPolarHBondContact O-CB 3.41Å; H767-K771 PolarHBondContact O-N 3.15Å |
| 768 | E | 92 | Very high | 85.5 | Confident | 92 Ų | 92 | 72.7 Ų | 72.7 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.3 | -48.9 | 173.2 | -169.8 | -158.5 | 143.2 | 0 | 0 | 112.2 | D764 R765 A766 L770 K771 T772 | D764-E768 PolarHBondContact O-N 3.26Å; R765-E768 VanDerWaalsContact CD-OE2 3.32Å; R765-E768 WeakPolarHBondContact CD-OE2 3.26Å; R765-E768 IonicContact CZ-OE1 3.53Å; R765-E768 IonicContact CZ-OE2 3.09Å; R765-E768 IonicContact NE-OE2 3.81Å; R765-E768 IonicContact NH1-OE1 2.67Å; R765-E768 PolarHBondContact NH1-OE1 2.85Å; R765-E768 IonicContact NH1-OE2 3.76Å; R765-E768 PolarHBondContact NH1-OE2 3.24Å; R765-E768 PolarHBondContact O-N 3.48Å; A766-E768 VanDerWaalsContact C-N 3.3Å; A766-E768 PolarHBondContact O-N 3.01Å; E768-L770 VanDerWaalsContact C-N 3.27Å; E768-L770 PolarHBondContact O-N 3.45Å; E768-K771 PolarHBondContact O-N 3.33Å; E768-T772 WeakPolarHBondContact O-CB 3.32Å; E768-T772 PolarHBondContact O-N 2.88Å; E768-T772 PolarHBondContact O-OG1 3.46Å |
| 769 | V | 92.3 | Very high | 82.9 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 6% | 0.055 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.5 | -43.2 | 175.8 | 167.4 | 0 | 0 | 0 | 0 | 110.7 | V740 I741 R765 A766 T772 Y773 | V740-V769 HydrophobicContact CB-CG1 4.33Å; V740-V769 HydrophobicContact CG1-CG1 4.04Å; I741-V769 HydrophobicContact CG1-CG1 4.34Å; R765-V769 WeakPolarHBondContact O-CG2 3.23Å; R765-V769 PolarHBondContact O-N 2.86Å; A766-V769 PolarHBondContact O-N 3.45Å; V769-T772 WeakPolarHBondContact O-CB 3.1Å; V769-T772 PolarHBondContact O-N 2.59Å; V769-Y773 PolarHBondContact O-N 3.2Å |
| 770 | L | 92.5 | Very high | 80 | Confident | 3 Ų | 3 | 73.2 Ų | 73.2 | 2% | 0.016 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -77.7 | -36.4 | -175.7 | -63.9 | 168.6 | 0 | 0 | 0 | 112.7 | V740 I741 F744 F751 A766 H767 E768 T772 Y773 Q774 | V740-L770 HydrophobicContact CG1-CD2 4.23Å; V740-L770 HydrophobicContact CG1-CG 4.39Å; I741-L770 HydrophobicContact CG1-CD2 4.16Å; F744-L770 HydrophobicContact CB-CD2 3.83Å; F744-L770 HydrophobicContact CD1-CD2 4.15Å; F744-L770 HydrophobicContact CD2-CB 4.25Å; F744-L770 HydrophobicContact CD2-CD1 3.3Å; F744-L770 HydrophobicContact CD2-CD2 3.2Å; F744-L770 HydrophobicContact CD2-CG 3.69Å; F744-L770 HydrophobicContact CE1-CD2 4.42Å; F744-L770 HydrophobicContact CE2-CB 3.76Å; F744-L770 HydrophobicContact CE2-CD1 3.61Å; F744-L770 HydrophobicContact CE2-CD2 3.45Å; F744-L770 VanDerWaalsContact CE2-CD2 3.45Å; F744-L770 HydrophobicContact CE2-CG 3.74Å; F744-L770 HydrophobicContact CG-CD1 4.32Å; F744-L770 HydrophobicContact CG-CD2 3.55Å; F744-L770 HydrophobicContact CG-CG 4.48Å; F744-L770 HydrophobicContact CZ-CB 4.48Å; F744-L770 HydrophobicContact CZ-CD2 4.07Å; F751-L770 HydrophobicContact CE1-CD1 4.1Å; A766-L770 WeakPolarHBondContact O-CB 2.87Å; A766-L770 WeakPolarHBondContact O-CD1 3.11Å; A766-L770 WeakPolarHBondContact O-CG 3.01Å; A766-L770 PolarHBondContact O-N 3.48Å; H767-L770 PolarHBondContact O-N 3.37Å; E768-L770 VanDerWaalsContact C-N 3.27Å; E768-L770 PolarHBondContact O-N 3.45Å; L770-T772 VanDerWaalsContact C-N 3.27Å; L770-T772 PolarHBondContact O-N 3.33Å; L770-Y773 PolarHBondContact O-N 2.83Å; L770-Q774 WeakPolarHBondContact O-CB 3.41Å; L770-Q774 VanDerWaalsContact O-CG 3.29Å; L770-Q774 WeakPolarHBondContact O-CG 3.3Å; L770-Q774 PolarHBondContact O-N 3.45Å |
| 771 | K | 89.6 | Confident | 76.9 | Confident | 134 Ų | 134 | 66 Ų | 66 | 58% | 0.583 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.3 | -35.3 | 170 | -177 | 175.6 | -175.8 | 175.2 | 0 | 111.3 | H767 E768 K775 | H767-K771 WeakPolarHBondContact O-CB 3.41Å; H767-K771 PolarHBondContact O-N 3.15Å; E768-K771 PolarHBondContact O-N 3.33Å; K771-K775 WeakPolarHBondContact O-CB 3.48Å; K771-K775 WeakPolarHBondContact O-CG 3.3Å; K771-K775 PolarHBondContact O-N 3.35Å |
| 772 | T | 85.8 | Confident | 73.9 | Confident | 75 Ų | 75 | 72 Ų | 72 | 46% | 0.46 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.2 | -49 | 172.2 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | E768 V769 L770 Q774 K775 T776 | E768-T772 WeakPolarHBondContact O-CB 3.32Å; E768-T772 PolarHBondContact O-N 2.88Å; E768-T772 PolarHBondContact O-OG1 3.46Å; V769-T772 WeakPolarHBondContact O-CB 3.1Å; V769-T772 PolarHBondContact O-N 2.59Å; L770-T772 VanDerWaalsContact C-N 3.27Å; L770-T772 PolarHBondContact O-N 3.33Å; T772-Q774 PolarHBondContact O-N 3.18Å; T772-K775 PolarHBondContact O-N 3.36Å; T772-T776 PolarHBondContact O-N 2.63Å; T772-T776 PolarHBondContact O-OG1 2.88Å; T772-T776 VanDerWaalsContact O-OG1 3.09Å |
| 773 | Y | 86 | Confident | 70.8 | Confident | 38 Ų | 38 | 75.7 Ų | 75.7 | 15% | 0.149 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -55.3 | -49.1 | 175.6 | 173.2 | -133.5 | 0 | 0 | 0 | 112.4 | I741 F744 D745 V769 L770 K775 T776 A777 | I741-Y773 HydrophobicContact CB-CD1 4.42Å; I741-Y773 HydrophobicContact CB-CE1 4.49Å; I741-Y773 HydrophobicContact CD1-CD1 4.35Å; I741-Y773 HydrophobicContact CD1-CD2 3.86Å; I741-Y773 HydrophobicContact CD1-CG 3.73Å; I741-Y773 HydrophobicContact CG1-CD1 3.89Å; I741-Y773 HydrophobicContact CG1-CD2 4.28Å; I741-Y773 HydrophobicContact CG1-CE1 4.44Å; I741-Y773 HydrophobicContact CG1-CG 3.77Å; I741-Y773 HydrophobicContact CG2-CD1 3.78Å; I741-Y773 HydrophobicContact CG2-CD2 4.14Å; I741-Y773 HydrophobicContact CG2-CE1 3.44Å; I741-Y773 VanDerWaalsContact CG2-CE1 3.44Å; I741-Y773 HydrophobicContact CG2-CE2 3.84Å; I741-Y773 HydrophobicContact CG2-CG 4.1Å; I741-Y773 VanDerWaalsContact CG2-CZ 3.45Å; F744-Y773 HydrophobicContact CD1-CE1 4.24Å; F744-Y773 AromaticContact CE1-CD1 3.99Å; F744-Y773 HydrophobicContact CE1-CD1 3.99Å; F744-Y773 AromaticContact CE1-CE1 3.81Å; F744-Y773 HydrophobicContact CE1-CE1 3.81Å; F744-Y773 HydrophobicContact CZ-CD1 4.35Å; D745-Y773 PolarHBondContact OD1-OH 3.26Å; V769-Y773 PolarHBondContact O-N 3.2Å; L770-Y773 PolarHBondContact O-N 2.83Å; Y773-K775 PolarHBondContact O-N 3.26Å; Y773-T776 PolarHBondContact O-N 2.93Å; Y773-T776 VanDerWaalsContact O-N 3.15Å; Y773-A777 HydrophobicContact CE2-CB 4.38Å; Y773-A777 VanDerWaalsContact O-CB 3.31Å; Y773-A777 WeakPolarHBondContact O-CB 3.33Å; Y773-A777 PolarHBondContact O-N 2.96Å |
| 774 | Q | 83.4 | Confident | 67.7 | Low | 82 Ų | 82 | 80.1 Ų | 80.1 | 38% | 0.383 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 179 | -72.3 | 176 | -63.6 | 0 | 0 | 111.9 | F744 L770 T772 T776 A777 T778 | F744-Q774 HydrophobicContact CZ-CG 4.47Å; L770-Q774 WeakPolarHBondContact O-CB 3.41Å; L770-Q774 VanDerWaalsContact O-CG 3.29Å; L770-Q774 WeakPolarHBondContact O-CG 3.3Å; L770-Q774 PolarHBondContact O-N 3.45Å; T772-Q774 PolarHBondContact O-N 3.18Å; Q774-T776 VanDerWaalsContact C-N 3.35Å; Q774-T776 PolarHBondContact O-N 3.46Å; Q774-A777 PolarHBondContact O-N 2.88Å; Q774-T778 PolarHBondContact O-N 3.03Å; Q774-T778 VanDerWaalsContact O-N 3.12Å; Q774-T778 PolarHBondContact O-OG1 3.03Å; Q774-T778 VanDerWaalsContact O-OG1 3.07Å |
| 775 | K | 78.9 | Confident | 64.8 | Low | 149 Ų | 149 | 83 Ų | 83 | 65% | 0.648 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.5 | -40.1 | 173.4 | -78.3 | -178.9 | 170.8 | -162.8 | 0 | 113 | K771 T772 Y773 G779 | K771-K775 WeakPolarHBondContact O-CB 3.48Å; K771-K775 WeakPolarHBondContact O-CG 3.3Å; K771-K775 PolarHBondContact O-N 3.35Å; T772-K775 PolarHBondContact O-N 3.36Å; Y773-K775 PolarHBondContact O-N 3.26Å; K775-G779 PolarHBondContact O-N 2.93Å |
| 776 | T | 71 | Confident | 61.9 | Low | 103 Ų | 103 | 85.3 Ų | 85.3 | 63% | 0.632 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -73.1 | -36.2 | 178.8 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | T772 Y773 Q774 | T772-T776 PolarHBondContact O-N 2.63Å; T772-T776 PolarHBondContact O-OG1 2.88Å; T772-T776 VanDerWaalsContact O-OG1 3.09Å; Y773-T776 PolarHBondContact O-N 2.93Å; Y773-T776 VanDerWaalsContact O-N 3.15Å; Q774-T776 VanDerWaalsContact C-N 3.35Å; Q774-T776 PolarHBondContact O-N 3.46Å |
| 777 | A | 56.9 | Low | 58.8 | Low | 56 Ų | 56 | 92.3 Ų | 92.3 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.1 | -29.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y773 Q774 | Y773-A777 HydrophobicContact CE2-CB 4.38Å; Y773-A777 VanDerWaalsContact O-CB 3.31Å; Y773-A777 WeakPolarHBondContact O-CB 3.33Å; Y773-A777 PolarHBondContact O-N 2.96Å; Q774-A777 PolarHBondContact O-N 2.88Å |
| 778 | T | 48.8 | Very low | 55.6 | Low | 88 Ų | 88 | 94.5 Ų | 94.5 | 54% | 0.54 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -94.4 | -14.9 | 176.7 | 58 | 0 | 0 | 0 | 0 | 114.5 | Q774 G780 | Q774-T778 PolarHBondContact O-N 3.03Å; Q774-T778 VanDerWaalsContact O-N 3.12Å; Q774-T778 PolarHBondContact O-OG1 3.03Å; Q774-T778 VanDerWaalsContact O-OG1 3.07Å; T778-G780 VanDerWaalsContact C-N 3.33Å; T778-G780 PolarHBondContact O-N 3.34Å |
| 779 | G | 35.7 | Very low | 52.6 | Low | 33 Ų | 33 | 96.2 Ų | 96.2 | 34% | 0.34 | 56% | 0.561 | S | S | . | * | trans | -83.3 | 3.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | K775 G781 | K775-G779 PolarHBondContact O-N 2.93Å; G779-G781 VanDerWaalsContact C-N 3.32Å; G779-G781 PolarHBondContact O-N 3.34Å | ||
| 780 | G | 31.4 | Very low | 49.5 | Very low | 79 Ų | 79 | 103.1 Ų | 103.1 | 81% | 0.814 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -80.7 | 12 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | T778 | T778-G780 VanDerWaalsContact C-N 3.33Å; T778-G780 PolarHBondContact O-N 3.34Å |
| 781 | G | 25.8 | Very low | 46.5 | Very low | 61 Ų | 61 | 109.6 Ų | 109.6 | 63% | 0.629 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -179.1 | 101.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G779 | G779-G781 VanDerWaalsContact C-N 3.32Å; G779-G781 PolarHBondContact O-N 3.34Å |
| 782 | L | 25.9 | Very low | 43.6 | Very low | 181 Ų | 181 | 108.4 Ų | 108.4 | 95% | 0.948 | 64% | 0.635 | S | S | * | * | trans | 52.2 | 85.6 | 174.5 | -81.5 | 153.1 | 0 | 0 | 0 | 115.3 | ||||
| 783 | I | 28 | Very low | 40.8 | Very low | 108 Ų | 108 | 110.6 Ų | 110.6 | 55% | 0.554 | 65% | 0.651 | S | S | * | * | trans | -119 | 146.7 | 158.9 | 53.9 | 169.7 | 0 | 0 | 0 | 110.4 | ||||
| 784 | N | 28.3 | Very low | 38.1 | Very low | 140 Ų | 140 | 114.5 Ų | 114.5 | 75% | 0.749 | 68% | 0.684 | S | S | * | * | trans | 70.7 | 102.9 | 161.6 | -52 | -15.2 | 0 | 0 | 0 | 119 | ||||
| 785 | L | 30.4 | Very low | 35.3 | Very low | 165 Ų | 165 | 122 Ų | 122 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | -128.2 | 119.3 | 120.2 | -83.3 | 178 | 0 | 0 | 0 | 109.4 | |||||
| 786 | T | 31.3 | Very low | 32.9 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | trans | 40.2 | 107.4 | 153.1 | 57.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 787 | D | 27.4 | Very low | 30.7 | Very low | 146 Ų | 146 | 124.7 Ų | 124.7 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | 67.6 | 106.8 | 74.9 | -68.9 | -55.2 | 0 | 0 | 0 | 114.6 | |||||
| 788 | T | 26.1 | Very low | 29.1 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | -179.2 | 166.8 | 115.7 | 25.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 789 | N | 28.7 | Very low | 28 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | trans | 78.3 | 79.8 | 163.2 | -65 | 1.1 | 0 | 0 | 0 | 120.8 | ||||
| 790 | H | 28.3 | Very low | 27.7 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | 87 | 128.1 | 114.1 | -76.1 | -63.3 | 0 | 0 | 0 | 122.8 | |||||
| 791 | N | 29.8 | Very low | 27.5 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 69.6 | 140.5 | 144.4 | -58.9 | 0.6 | 0 | 0 | 0 | 118.6 | ||||
| 792 | S | 26.8 | Very low | 27.5 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | cis | -165.5 | 160.2 | -19.6 | 36.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 793 | P | 28.1 | Very low | 27.5 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | trans | -95 | 154.9 | -156.5 | 36.2 | -36.8 | 0 | 0 | 0 | 116.4 | ||||
| 794 | S | 29.8 | Very low | 27.6 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | -145.6 | 158.6 | 156.5 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 795 | W | 24.7 | Very low | 27.5 | Very low | 241 Ų | 241 | 126.1 Ų | 126.1 | 91% | 0.913 | 71% | 0.71 | S | S | * | * | trans | -116.5 | 172.2 | -176.3 | -78.6 | 45.2 | 0 | 0 | 0 | 110.8 | ||||
| 796 | K | 27.4 | Very low | 27.4 | Very low | 202 Ų | 202 | 120.5 Ų | 120.5 | 88% | 0.878 | 69% | 0.685 | S | S | * | * | trans | 93.1 | 143.5 | 178.7 | -56 | 163.7 | -176.5 | 178.3 | 0 | 113.6 | ||||
| 797 | S | 24.2 | Very low | 27.2 | Very low | 105 Ų | 105 | 118 Ų | 118 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | cis | -161.5 | 161.5 | -15.4 | -97.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 798 | S | 23.4 | Very low | 27.4 | Very low | 114 Ų | 114 | 113.7 Ų | 113.7 | 80% | 0.797 | 65% | 0.647 | S | S | * | * | trans | 14.7 | 124.6 | 158.1 | -51 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 799 | S | 27.4 | Very low | 27.5 | Very low | 126 Ų | 126 | 110.5 Ų | 110.5 | 88% | 0.881 | 63% | 0.627 | S | S | * | * | -175.6 | -178.2 | 53.9 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 800 | G | 27.8 | Very low | 27.3 | Very low | 72 Ų | 72 | 108.4 Ų | 108.4 | 74% | 0.742 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 101.2 | 57.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 801 | S | 28.5 | Very low | 27.3 | Very low | 93 Ų | 93 | 103.9 Ų | 103.9 | 65% | 0.65 | 60% | 0.602 | S | S | * | * | trans | 40.7 | 98.4 | 162.1 | -161.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 802 | L | 25.1 | Very low | 27.1 | Very low | 142 Ų | 142 | 101.5 Ų | 101.5 | 74% | 0.743 | 60% | 0.602 | S | S | * | * | trans | -50.1 | 152.4 | 147.6 | -57.9 | 79.7 | 0 | 0 | 0 | 108.5 | T749 | T749-L802 PolarHBondContact OG1-O 2.68Å; T749-L802 VanDerWaalsContact OG1-O 3.07Å | ||
| 803 | R | 26.5 | Very low | 27.1 | Very low | 65 Ų | 65 | 99.7 Ų | 99.7 | 25% | 0.245 | 60% | 0.601 | C | S | . | * | 178.9 | 134.2 | 69.2 | -87.7 | -177.1 | 166.7 | -163.1 | 7.3 | 113.9 | S748 S752 | S748-R803 WeakPolarHBondContact O-CD 3.44Å; S748-R803 PolarHBondContact O-NH1 3.27Å; S748-R803 WeakPolarHBondContact OG-CB 3.25Å; S748-R803 PolarHBondContact OG-O 2.86Å; S752-R803 VanDerWaalsContact CB-CZ 3.41Å; S752-R803 VanDerWaalsContact N-NH1 3.17Å; S752-R803 WeakPolarHBondContact OG-CD 3.42Å; S752-R803 PolarHBondContact OG-NE 2.75Å; S752-R803 PolarHBondContact OG-NH1 3.15Å; S752-R803 VanDerWaalsContact OG-NH1 3.12Å; S752-R803 PolarHBondContact OG-NH2 2.9Å | |||
| 804 | K | 29.2 | Very low | 27 | Very low | 58 Ų | 58 | 105.8 Ų | 105.8 | 25% | 0.252 | 61% | 0.608 | S | S | . | * | 68.5 | 123.8 | 128.6 | -58.4 | 162.2 | 176.1 | -179.2 | 0 | 123.2 | F744 | F744-K804 HydrophobicContact CD1-CD 4.15Å; F744-K804 HydrophobicContact CD2-CD 3.68Å; F744-K804 HydrophobicContact CE1-CB 4.03Å; F744-K804 HydrophobicContact CE1-CD 3.74Å; F744-K804 HydrophobicContact CE1-CG 4.1Å; F744-K804 HydrophobicContact CE2-CD 3.31Å; F744-K804 HydrophobicContact CE2-CG 4.27Å; F744-K804 HydrophobicContact CG-CD 4.14Å; F744-K804 HydrophobicContact CZ-CB 4.28Å; F744-K804 HydrophobicContact CZ-CD 3.34Å; F744-K804 HydrophobicContact CZ-CG 3.83Å | |||
| 805 | Y | 25.9 | Very low | 26.8 | Very low | 107 Ų | 107 | 105 Ų | 105 | 42% | 0.42 | 60% | 0.603 | S | S | . | * | trans | 8.3 | 130.3 | 130.9 | -58.3 | -92.3 | 0 | 0 | 0 | 119.7 | ||||
| 806 | S | 28.5 | Very low | 26.8 | Very low | 47 Ų | 47 | 98.6 Ų | 98.6 | 33% | 0.329 | 59% | 0.594 | S | S | . | * | trans | -148.6 | 145.2 | 164.4 | -65.9 | 0 | 0 | 0 | 0 | 111.7 | D745 | D745-S806 WeakPolarHBondContact CA-OG 3.17Å; D745-S806 VanDerWaalsContact CB-OG 3.26Å; D745-S806 WeakPolarHBondContact CB-OG 3.18Å; D745-S806 PolarHBondContact O-OG 2.76Å | ||
| 807 | L | 27.1 | Very low | 26.9 | Very low | 55 Ų | 55 | 98.4 Ų | 98.4 | 29% | 0.288 | 60% | 0.599 | S | S | . | * | trans | -119 | 149.9 | 171.5 | -76.3 | -179.5 | 0 | 0 | 0 | 112.3 | Q34 K742 D745 | Q34-L807 HydrophobicContact CG-CD1 4.16Å; K742-L807 PolarHBondContact NZ-O 3.05Å; D745-L807 PolarHBondContact OD2-N 2.84Å | ||
| 808 | P | 31.7 | Very low | 27 | Very low | 57 Ų | 57 | 100 Ų | 100 | 37% | 0.37 | 60% | 0.604 | S | S | . | * | trans | -86.6 | 170.8 | -148.8 | 34.5 | -39.3 | 0 | 0 | 0 | 114.6 | R33 | R33-P808 HydrophobicContact CB-CG 3.89Å; R33-P808 WeakPolarHBondContact O-CD 3.37Å | ||
| 809 | V | 28.5 | Very low | 27.2 | Very low | 67 Ų | 67 | 106.2 Ų | 106.2 | 41% | 0.406 | 61% | 0.61 | S | S | . | * | trans | -150.2 | 150.1 | 149.6 | 125.9 | 0 | 0 | 0 | 0 | 110.7 | L699 | L699-V809 HydrophobicContact CB-CB 3.68Å; L699-V809 HydrophobicContact CB-CG1 3.42Å; L699-V809 VanDerWaalsContact CB-CG1 3.42Å; L699-V809 HydrophobicContact CD1-CB 3.73Å; L699-V809 HydrophobicContact CD1-CG1 4.13Å; L699-V809 HydrophobicContact CD1-CG2 3.85Å; L699-V809 HydrophobicContact CD2-CB 4.22Å; L699-V809 HydrophobicContact CG-CB 4.07Å; L699-V809 HydrophobicContact CG-CG1 4.29Å | ||
| 810 | T | 25.3 | Very low | 27 | Very low | 84 Ų | 84 | 105.4 Ų | 105.4 | 52% | 0.515 | 61% | 0.605 | S | S | . | * | trans | -79.1 | 142.4 | 171.4 | 50.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 811 | T | 27.8 | Very low | 27.2 | Very low | 58 Ų | 58 | 107.4 Ų | 107.4 | 36% | 0.356 | 60% | 0.602 | S | S | . | * | trans | -166.9 | 155.5 | 135 | -70.9 | 0 | 0 | 0 | 0 | 109.4 | F656 M700 | F656-T811 HydrophobicContact CE2-CG2 4.48Å; M700-T811 HydrophobicContact CE-CG2 3.38Å; M700-T811 HydrophobicContact SD-CG2 3.9Å | ||
| 812 | A | 25.2 | Very low | 27.2 | Very low | 88 Ų | 88 | 108.6 Ų | 108.6 | 73% | 0.727 | 60% | 0.601 | S | S | * | * | trans | -79.7 | 178.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 813 | G | 25.9 | Very low | 27.4 | Very low | 72 Ų | 72 | 109.8 Ų | 109.8 | 74% | 0.742 | 60% | 0.603 | S | S | * | * | trans | 106.3 | 94.9 | 154 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 814 | R | 27.5 | Very low | 27.3 | Very low | 250 Ų | 250 | 112.2 Ų | 112.2 | 94% | 0.943 | 62% | 0.621 | S | S | * | * | trans | -149.6 | 107.7 | 145.4 | -140 | 173.8 | -175.4 | -165.6 | -2.5 | 112.1 | ||||
| 815 | S | 25.2 | Very low | 27.4 | Very low | 103 Ų | 103 | 118 Ų | 118 | 72% | 0.72 | 65% | 0.648 | S | S | * | * | trans | -84.7 | 172.1 | 175.1 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 816 | S | 25.6 | Very low | 27.4 | Very low | 105 Ų | 105 | 121.1 Ų | 121.1 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | trans | 54.6 | 109.2 | 151.4 | 60.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 817 | M | 28.5 | Very low | 27.4 | Very low | 198 Ų | 198 | 126.5 Ų | 126.5 | 98% | 0.975 | 69% | 0.693 | S | S | * | * | -143.8 | 90.5 | 122.8 | -123.2 | 178.9 | -176.1 | 0 | 0 | 110.3 | |||||
| 818 | T | 25.5 | Very low | 27.5 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 85% | 0.853 | 72% | 0.718 | S | S | * | * | trans | -69.3 | 135.7 | 162.2 | 39.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 819 | R | 27.6 | Very low | 27.2 | Very low | 244 Ų | 244 | 135.1 Ų | 135.1 | 92% | 0.921 | 74% | 0.735 | S | S | * | * | trans | -140.6 | 103.5 | 167.4 | -154.7 | 178 | -165.2 | -169.6 | 3.1 | 108.6 | ||||
| 820 | S | 23.6 | Very low | 27.8 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -118.4 | 115.2 | 172.5 | -167.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 821 | V | 33.5 | Very low | 28.1 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | trans | -145.9 | 138.7 | 158.2 | -175.8 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 822 | D | 28.3 | Very low | 28.4 | Very low | 119 Ų | 119 | 142 Ų | 142 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | -63.2 | 165.2 | 178.4 | -44.8 | -94.9 | 0 | 0 | 0 | 111 | ||||
| 823 | Q | 28.3 | Very low | 28.4 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | -169.7 | 167.2 | 82 | -154.9 | 66 | 67.6 | 0 | 0 | 111.1 | |||||
| 824 | D | 24.9 | Very low | 28.7 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 62% | 0.62 | 79% | 0.794 | S | S | * | * | trans | -56.5 | 147.6 | -175.7 | -51.2 | -95.5 | 0 | 0 | 0 | 116.8 | ||||
| 825 | H | 31.2 | Very low | 28.6 | Very low | 179 Ų | 179 | 143 Ų | 143 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | 165.7 | 98.8 | 131.4 | -85.6 | -57.6 | 0 | 0 | 0 | 107.8 | ||||
| 826 | M | 25.2 | Very low | 28.6 | Very low | 174 Ų | 174 | 149.4 Ų | 149.4 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | 35.8 | 99.6 | 89.2 | -68.6 | -154.8 | -178.5 | 0 | 0 | 114.9 | |||||
| 827 | I | 29.7 | Very low | 28.6 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | -176.7 | 132.7 | 127.8 | -94.6 | 154.5 | 0 | 0 | 0 | 111.4 | |||||
| 828 | F | 28.2 | Very low | 28.4 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | 10.3 | 115.8 | 160.9 | -67.3 | -99.3 | 0 | 0 | 0 | 122.1 | ||||
| 829 | S | 26.3 | Very low | 28.4 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | 42.6 | 145.1 | 112.2 | -54.4 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 830 | P | 41.1 | Very low | 28.3 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -86.2 | 173 | -176.9 | 41.3 | -40.6 | 0 | 0 | 0 | 113.2 | ||||
| 831 | P | 31.8 | Very low | 28.5 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | -154.4 | -177.6 | 92.2 | 42.2 | -23.3 | 0 | 0 | 0 | 117.4 | |||||
| 832 | S | 33.5 | Very low | 28.5 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -29.5 | 157.2 | 165.7 | -40.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 833 | S | 26.1 | Very low | 28.3 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | trans | -155.7 | 148.4 | 163.6 | -81.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 834 | G | 32.4 | Very low | 28.2 | Very low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | 81.3 | 104.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 835 | R | 25 | Very low | 28.2 | Very low | 233 Ų | 233 | 140.3 Ų | 140.3 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | cis | 54.7 | 105.9 | 44.7 | -62.9 | -168.8 | 178.8 | -162.4 | 0.7 | 112.1 | ||||
| 836 | Y | 24.6 | Very low | 28 | Very low | 238 Ų | 238 | 135.1 Ų | 135.1 | 93% | 0.933 | 77% | 0.773 | S | S | * | * | 58 | 114.6 | 76.9 | -77.3 | -76.6 | 0 | 0 | 0 | 112.4 | |||||
| 837 | G | 24.9 | Very low | 28.1 | Very low | 71 Ų | 71 | 133.5 Ų | 133.5 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | cis | 161.1 | -154.7 | -5.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 838 | S | 24.9 | Very low | 27.9 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 80.7 | 133.8 | 158.2 | -84.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 839 | I | 25.1 | Very low | 28 | Very low | 150 Ų | 150 | 124.9 Ų | 124.9 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | 100.3 | 103.4 | 140.3 | -70.4 | 160.4 | 0 | 0 | 0 | 121.1 | ||||
| 840 | S | 26.4 | Very low | 28.1 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | trans | 69.6 | 150.1 | 141.7 | 74.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 841 | G | 26.9 | Very low | 27.4 | Very low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 71% | 0.708 | S | S | * | * | trans | 136.9 | 105.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 842 | P | 33.5 | Very low | 27.1 | Very low | 103 Ų | 103 | 125 Ų | 125 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | trans | -113.4 | -178.3 | -179.6 | 17.4 | 5.2 | 0 | 0 | 0 | 114.6 | ||||
| 843 | Y | 25.3 | Very low | 26.8 | Very low | 205 Ų | 205 | 124.6 Ų | 124.6 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | 78.5 | 145 | 166.6 | -55.8 | -70 | 0 | 0 | 0 | 117.7 | ||||
| 844 | Y | 25.8 | Very low | 26.9 | Very low | 198 Ų | 198 | 122.5 Ų | 122.5 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | cis | -169.9 | 165.1 | -26.2 | -147.3 | -119.1 | 0 | 0 | 0 | 110.3 | ||||
| 845 | S | 25.7 | Very low | 26.6 | Very low | 82 Ų | 82 | 124.9 Ų | 124.9 | 57% | 0.573 | 71% | 0.712 | S | S | * | * | trans | 58.5 | 119.5 | 151.8 | 52.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 846 | S | 26.6 | Very low | 26.7 | Very low | 69 Ų | 69 | 120.9 Ų | 120.9 | 48% | 0.483 | 71% | 0.708 | S | S | . | * | 105.1 | 160.6 | 83 | -75.2 | 0 | 0 | 0 | 0 | 113.8 | Q968 | S846-Q968 PolarHBondContact O-OE1 2.83Š| |||
| 847 | Q | 26.9 | Very low | 26.8 | Very low | 140 Ų | 140 | 112.7 Ų | 112.7 | 65% | 0.654 | 69% | 0.686 | S | S | * | * | cis | -168 | 159.5 | -14.7 | -116.5 | -161.8 | 90.7 | 0 | 0 | 106.8 | T966 L967 | Q847-T966 CarbonylContact C-O 3.58Å; Q847-L967 VanDerWaalsContact C-C 3.49Å; Q847-L967 CarbonylContact C-O 3.59Å | ||
| 848 | R | 26.2 | Very low | 26.9 | Very low | 124 Ų | 124 | 111.4 Ų | 111.4 | 47% | 0.468 | 67% | 0.672 | S | S | . | * | cis | -163.7 | 140.6 | 21.4 | -178 | -151.6 | 77.7 | -173.1 | 3.3 | 112.1 | D964 T966 L967 | R848-D964 IonicContact CZ-OD1 3.93Å; R848-D964 IonicContact NH2-OD1 2.73Å; R848-D964 PolarHBondContact NH2-OD1 3.42Å; R848-T966 VanDerWaalsContact C-C 3.5Å; R848-T966 PolarHBondContact N-O 3.21Å; R848-T966 CarbonylContact O-C 3.19Å; R848-T966 VanDerWaalsContact O-CA 3.24Å; R848-T966 WeakPolarHBondContact O-CA 3.25Å; R848-T966 PolarHBondContact O-N 2.92Å; R848-T966 VanDerWaalsContact O-N 3.13Å; R848-L967 PolarHBondContact O-N 3.05Å | ||
| 849 | S | 28.4 | Very low | 27.1 | Very low | 41 Ų | 41 | 113.7 Ų | 113.7 | 29% | 0.287 | 66% | 0.663 | S | S | . | * | trans | 60.8 | -178.8 | 160.3 | 71.6 | 0 | 0 | 0 | 0 | 117.8 | D964 L967 | S849-D964 PolarHBondContact OG-OD1 3.42Å; S849-L967 PolarHBondContact O-N 2.83Å | ||
| 850 | H | 28.8 | Very low | 27.5 | Very low | 136 Ų | 136 | 110 Ų | 110 | 63% | 0.63 | 65% | 0.648 | S | S | * | * | cis | -144.3 | -147.3 | 1 | -137.5 | -38.6 | 0 | 0 | 0 | 109.7 | D964 | H850-D964 WeakPolarHBondContact CB-OD2 3.38Å; H850-D964 IonicContact CD2-OD1 2.61Å; H850-D964 PolarHBondContact CD2-OD1 2.96Å; H850-D964 IonicContact CD2-OD2 3.48Å; H850-D964 IonicContact CG-OD2 2.7Å | ||
| 851 | N | 26.8 | Very low | 27.8 | Very low | 110 Ų | 110 | 106 Ų | 106 | 59% | 0.588 | 62% | 0.62 | S | S | * | * | cis | -136.6 | -107.7 | 10.3 | -162.3 | -84.4 | 0 | 0 | 0 | 114 | D964 | N851-D964 PolarHBondContact ND2-OD2 2.94Š| ||
| 852 | S | 26.5 | Very low | 28.2 | Very low | 101 Ų | 101 | 106.7 Ų | 106.7 | 71% | 0.706 | 61% | 0.61 | S | S | * | * | trans | -129.4 | 145.4 | -160 | -64.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 853 | A | 26.5 | Very low | 28.3 | Very low | 109 Ų | 109 | 102.9 Ų | 102.9 | 90% | 0.901 | 58% | 0.584 | S | S | * | * | trans | 58.1 | 108.1 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 854 | G | 27.5 | Very low | 28.9 | Very low | 82 Ų | 82 | 95 Ų | 95 | 85% | 0.845 | 56% | 0.559 | S | S | * | * | trans | 162.5 | 96.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 855 | S | 25.8 | Very low | 29.4 | Very low | 121 Ų | 121 | 87.7 Ų | 87.7 | 85% | 0.846 | 53% | 0.532 | S | S | * | . | trans | -89.5 | 125.7 | -172.8 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 856 | D | 27.7 | Very low | 29.9 | Very low | 149 Ų | 149 | 86.9 Ų | 86.9 | 80% | 0.797 | 52% | 0.521 | S | S | * | . | trans | -145.7 | 146.2 | 142.2 | -156.6 | -2.9 | 0 | 0 | 0 | 109.5 | ||||
| 857 | S | 27 | Very low | 30.5 | Very low | 66 Ų | 66 | 90.7 Ų | 90.7 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | trans | -110 | 179.4 | -167.3 | -74.8 | 0 | 0 | 0 | 0 | 113.3 | R859 | S857-R859 PolarHBondContact O-N 3.25Å; S857-R859 VanDerWaalsContact O-N 3.12Å | ||
| 858 | G | 27.4 | Very low | 31 | Very low | 43 Ų | 43 | 87.3 Ų | 87.3 | 44% | 0.443 | 51% | 0.511 | S | S | . | . | trans | -47.5 | 113.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N985 | G858-N985 PolarHBondContact O-ND2 3.37Š| ||
| 859 | R | 29.3 | Very low | 31.7 | Very low | 163 Ų | 163 | 85.5 Ų | 85.5 | 62% | 0.615 | 51% | 0.51 | S | S | * | . | trans | -129.7 | 101.4 | 163.9 | -104.3 | -174.9 | 170 | -160.8 | -2.5 | 109.8 | S857 N985 | S857-R859 PolarHBondContact O-N 3.25Å; S857-R859 VanDerWaalsContact O-N 3.12Å; R859-N985 HydrophobicContact CG-CB 4.44Å | ||
| 860 | V | 33.6 | Very low | 32.3 | Very low | 73 Ų | 73 | 90.8 Ų | 90.8 | 44% | 0.442 | 52% | 0.524 | S | S | . | . | trans | -95.4 | 138.3 | 166.5 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | T982 | V860-T982 HydrophobicContact CB-CG2 3.56Å; V860-T982 WeakPolarHBondContact CB-OG1 3.15Å; V860-T982 HydrophobicContact CG1-CG2 3.69Å; V860-T982 WeakPolarHBondContact CG1-OG1 3.06Å; V860-T982 WeakPolarHBondContact O-CG2 3.39Å | ||
| 861 | S | 32.7 | Very low | 32.8 | Very low | 37 Ų | 37 | 89.2 Ų | 89.2 | 26% | 0.259 | 52% | 0.516 | S | S | . | . | trans | -68.8 | 148.1 | -160.9 | 179.8 | 0 | 0 | 0 | 0 | 113.9 | E863 S864 M865 | S861-E863 PolarHBondContact O-N 3.4Å; S861-E863 VanDerWaalsContact OG-CB 3.25Å; S861-E863 WeakPolarHBondContact OG-CB 3.48Å; S861-E863 VanDerWaalsContact OG-CG 3.3Å; S861-E863 WeakPolarHBondContact OG-CG 3.5Å; S861-E863 PolarHBondContact OG-N 3.37Å; S861-S864 WeakPolarHBondContact O-CA 3.22Å; S861-S864 WeakPolarHBondContact O-CB 3.28Å; S861-S864 PolarHBondContact O-N 3.22Å; S861-M865 PolarHBondContact O-N 2.7Å | ||
| 862 | P | 34.6 | Very low | 33.2 | Very low | 88 Ų | 88 | 87.7 Ų | 87.7 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -52.1 | -23.6 | 162.2 | -25 | 34.6 | 0 | 0 | 0 | 112.8 | N866 | P862-N866 WeakPolarHBondContact O-CB 3.19Å; P862-N866 PolarHBondContact O-N 2.85Å; P862-N866 PolarHBondContact O-ND2 2.98Å |
| 863 | E | 35.8 | Very low | 33.7 | Very low | 23 Ų | 23 | 86.2 Ų | 86.2 | 11% | 0.107 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -74.8 | -34.3 | 174 | -58 | -165.5 | 109.2 | 0 | 0 | 114.1 | K97 R135 S861 R867 | K97-E863 WeakPolarHBondContact CD-OE2 3.37Å; K97-E863 WeakPolarHBondContact CE-OE2 3.41Å; K97-E863 VanDerWaalsContact CG-OE2 3.24Å; K97-E863 WeakPolarHBondContact CG-OE2 3.33Å; K97-E863 IonicContact NZ-OE1 2.74Å; K97-E863 PolarHBondContact NZ-OE1 2.71Å; K97-E863 IonicContact NZ-OE2 3.65Å; K97-E863 PolarHBondContact NZ-OE2 3.38Å; R135-E863 VanDerWaalsContact CB-OE1 3.3Å; R135-E863 WeakPolarHBondContact CB-OE1 3.43Å; R135-E863 WeakPolarHBondContact CD-OE1 3.43Å; R135-E863 VanDerWaalsContact NH1-CB 3.3Å; R135-E863 PolarHBondContact NH1-O 3.17Å; R135-E863 IonicContact NH1-OE1 3.81Å; S861-E863 PolarHBondContact O-N 3.4Å; S861-E863 VanDerWaalsContact OG-CB 3.25Å; S861-E863 WeakPolarHBondContact OG-CB 3.48Å; S861-E863 VanDerWaalsContact OG-CG 3.3Å; S861-E863 WeakPolarHBondContact OG-CG 3.5Å; S861-E863 PolarHBondContact OG-N 3.37Å; E863-R867 VanDerWaalsContact O-CB 3.22Å; E863-R867 WeakPolarHBondContact O-CB 2.94Å; E863-R867 PolarHBondContact O-N 3.32Å |
| 864 | S | 37.4 | Very low | 34 | Very low | 41 Ų | 41 | 85 Ų | 85 | 29% | 0.287 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.2 | -37.3 | 171.2 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | S861 R867 I868 | S861-S864 WeakPolarHBondContact O-CA 3.22Å; S861-S864 WeakPolarHBondContact O-CB 3.28Å; S861-S864 PolarHBondContact O-N 3.22Å; S864-R867 CarbonylContact O-C 3.41Å; S864-R867 WeakPolarHBondContact O-CA 3.44Å; S864-R867 WeakPolarHBondContact O-CB 3.32Å; S864-R867 PolarHBondContact O-N 3.03Å; S864-R867 VanDerWaalsContact O-N 3.15Å; S864-I868 VanDerWaalsContact O-CG1 3.28Å; S864-I868 WeakPolarHBondContact O-CG1 3.35Å; S864-I868 PolarHBondContact O-N 2.99Å |
| 865 | M | 35.3 | Very low | 34.3 | Very low | 44 Ų | 44 | 82.2 Ų | 82.2 | 22% | 0.217 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -61 | -50.4 | 170.1 | -178.9 | -175.3 | -46.6 | 0 | 0 | 111.8 | S861 R867 I868 I869 T982 L983 | S861-M865 PolarHBondContact O-N 2.7Å; M865-R867 PolarHBondContact O-N 3.1Å; M865-I868 PolarHBondContact O-N 2.89Å; M865-I869 HydrophobicContact CG-CD1 4.07Å; M865-I869 WeakPolarHBondContact O-CB 3.22Å; M865-I869 VanDerWaalsContact O-CG1 3.31Å; M865-I869 WeakPolarHBondContact O-CG1 2.84Å; M865-I869 PolarHBondContact O-N 3.42Å; M865-T982 HydrophobicContact CB-CG2 4.48Å; M865-T982 HydrophobicContact CE-CG2 4.4Å; M865-L983 HydrophobicContact CE-CD1 4.16Å; M865-L983 HydrophobicContact CE-CD2 4.37Å; M865-L983 HydrophobicContact CE-CG 3.7Å; M865-L983 HydrophobicContact CG-CD1 3.99Å; M865-L983 HydrophobicContact CG-CG 4.5Å; M865-L983 HydrophobicContact SD-CD1 4.02Å; M865-L983 HydrophobicContact SD-CD2 4.12Å; M865-L983 HydrophobicContact SD-CG 3.89Å |
| 866 | N | 37 | Very low | 34.6 | Very low | 64 Ų | 64 | 81.6 Ų | 81.6 | 34% | 0.342 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.2 | -15.8 | 173.3 | -82.8 | -89.4 | 0 | 0 | 0 | 113.7 | P862 R870 | P862-N866 WeakPolarHBondContact O-CB 3.19Å; P862-N866 PolarHBondContact O-N 2.85Å; P862-N866 PolarHBondContact O-ND2 2.98Å; N866-R870 WeakPolarHBondContact O-CB 3.34Å; N866-R870 WeakPolarHBondContact O-CG 3.29Å |
| 867 | R | 38.7 | Very low | 34.8 | Very low | 149 Ų | 149 | 80.7 Ų | 80.7 | 56% | 0.562 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -82.4 | -45.9 | 170.6 | 168.4 | -170.7 | -94.4 | -97.4 | -1.9 | 110.3 | E863 S864 M865 R870 E871 | E863-R867 VanDerWaalsContact O-CB 3.22Å; E863-R867 WeakPolarHBondContact O-CB 2.94Å; E863-R867 PolarHBondContact O-N 3.32Å; S864-R867 CarbonylContact O-C 3.41Å; S864-R867 WeakPolarHBondContact O-CA 3.44Å; S864-R867 WeakPolarHBondContact O-CB 3.32Å; S864-R867 PolarHBondContact O-N 3.03Å; S864-R867 VanDerWaalsContact O-N 3.15Å; M865-R867 PolarHBondContact O-N 3.1Å; R867-R870 CarbonylContact O-C 3.58Å; R867-R870 WeakPolarHBondContact O-CA 3.48Å; R867-R870 WeakPolarHBondContact O-CB 3.42Å; R867-R870 PolarHBondContact O-N 3.26Å; R867-R870 VanDerWaalsContact O-N 3.15Å; R867-E871 WeakPolarHBondContact CD-OE1 3.44Å; R867-E871 HydrophobicContact CG-CG 4.15Å; R867-E871 WeakPolarHBondContact CG-OE1 3.37Å; R867-E871 VanDerWaalsContact CG-OE2 3.32Å; R867-E871 WeakPolarHBondContact CG-OE2 3.39Å; R867-E871 IonicContact CZ-OE1 3.78Å; R867-E871 IonicContact NE-OE1 3.97Å; R867-E871 IonicContact NH1-OE1 3.16Å; R867-E871 PolarHBondContact NH1-OE1 2.81Å; R867-E871 WeakPolarHBondContact O-CB 3.48Å; R867-E871 WeakPolarHBondContact O-CG 3.38Å; R867-E871 PolarHBondContact O-N 2.67Å |
| 868 | I | 38 | Very low | 34.9 | Very low | 70 Ų | 70 | 81.7 Ų | 81.7 | 36% | 0.359 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 177.3 | -69.4 | 160.7 | 0 | 0 | 0 | 110.8 | S864 M865 R870 E871 T872 | S864-I868 VanDerWaalsContact O-CG1 3.28Å; S864-I868 WeakPolarHBondContact O-CG1 3.35Å; S864-I868 PolarHBondContact O-N 2.99Å; M865-I868 PolarHBondContact O-N 2.89Å; I868-R870 VanDerWaalsContact C-N 3.26Å; I868-R870 PolarHBondContact O-N 3.09Å; I868-E871 PolarHBondContact O-N 3.27Å; I868-T872 WeakPolarHBondContact O-CB 3.36Å; I868-T872 PolarHBondContact O-N 3.17Å; I868-T872 PolarHBondContact O-OG1 3.2Å |
| 869 | I | 41.6 | Very low | 34.9 | Very low | 85 Ų | 85 | 86.4 Ų | 86.4 | 44% | 0.436 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.7 | -39.4 | 174.3 | -68.3 | 166.3 | 0 | 0 | 0 | 110.6 | M865 T873 | M865-I869 HydrophobicContact CG-CD1 4.07Å; M865-I869 WeakPolarHBondContact O-CB 3.22Å; M865-I869 VanDerWaalsContact O-CG1 3.31Å; M865-I869 WeakPolarHBondContact O-CG1 2.84Å; M865-I869 PolarHBondContact O-N 3.42Å; I869-T873 VanDerWaalsContact O-CB 3.29Å; I869-T873 WeakPolarHBondContact O-CB 3.34Å; I869-T873 PolarHBondContact O-N 3.14Å; I869-T873 PolarHBondContact O-OG1 3.09Å |
| 870 | R | 40.7 | Very low | 34.9 | Very low | 153 Ų | 153 | 83.2 Ų | 83.2 | 58% | 0.577 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.7 | -55.4 | 172.6 | -82.7 | -178.5 | 178.3 | -177.1 | -2.8 | 112.3 | N866 R867 I868 T872 T873 D874 | N866-R870 WeakPolarHBondContact O-CB 3.34Å; N866-R870 WeakPolarHBondContact O-CG 3.29Å; R867-R870 CarbonylContact O-C 3.58Å; R867-R870 WeakPolarHBondContact O-CA 3.48Å; R867-R870 WeakPolarHBondContact O-CB 3.42Å; R867-R870 PolarHBondContact O-N 3.26Å; R867-R870 VanDerWaalsContact O-N 3.15Å; I868-R870 VanDerWaalsContact C-N 3.26Å; I868-R870 PolarHBondContact O-N 3.09Å; R870-T872 PolarHBondContact O-N 3.26Å; R870-T873 CarbonylContact O-C 3.53Å; R870-T873 PolarHBondContact O-N 2.69Å; R870-D874 WeakPolarHBondContact CB-OD2 3.47Å; R870-D874 WeakPolarHBondContact O-CA 3.01Å; R870-D874 WeakPolarHBondContact O-CB 3.37Å; R870-D874 PolarHBondContact O-N 3.25Å |
| 871 | E | 38.4 | Very low | 34.5 | Very low | 103 Ų | 103 | 88.1 Ų | 88.1 | 48% | 0.481 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.4 | -23.8 | -179.5 | -71.7 | 168.2 | 174.5 | 0 | 0 | 112.9 | R867 I868 G875 | R867-E871 WeakPolarHBondContact CD-OE1 3.44Å; R867-E871 HydrophobicContact CG-CG 4.15Å; R867-E871 WeakPolarHBondContact CG-OE1 3.37Å; R867-E871 VanDerWaalsContact CG-OE2 3.32Å; R867-E871 WeakPolarHBondContact CG-OE2 3.39Å; R867-E871 IonicContact CZ-OE1 3.78Å; R867-E871 IonicContact NE-OE1 3.97Å; R867-E871 IonicContact NH1-OE1 3.16Å; R867-E871 PolarHBondContact NH1-OE1 2.81Å; R867-E871 WeakPolarHBondContact O-CB 3.48Å; R867-E871 WeakPolarHBondContact O-CG 3.38Å; R867-E871 PolarHBondContact O-N 2.67Å; I868-E871 PolarHBondContact O-N 3.27Å; E871-G875 WeakPolarHBondContact O-CA 3.36Å; E871-G875 PolarHBondContact O-N 3.47Å |
| 872 | T | 35.6 | Very low | 34.2 | Very low | 77 Ų | 77 | 89.9 Ų | 89.9 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -81.3 | -44.9 | 169.9 | -46.9 | 0 | 0 | 0 | 0 | 112.1 | I868 R870 L876 | I868-T872 WeakPolarHBondContact O-CB 3.36Å; I868-T872 PolarHBondContact O-N 3.17Å; I868-T872 PolarHBondContact O-OG1 3.2Å; R870-T872 PolarHBondContact O-N 3.26Å; T872-L876 WeakPolarHBondContact O-CG 3.47Å; T872-L876 PolarHBondContact O-N 3.48Å |
| 873 | T | 37.3 | Very low | 33.9 | Very low | 71 Ų | 71 | 90.3 Ų | 90.3 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.6 | -45 | 179.7 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | I869 R870 Q877 | I869-T873 VanDerWaalsContact O-CB 3.29Å; I869-T873 WeakPolarHBondContact O-CB 3.34Å; I869-T873 PolarHBondContact O-N 3.14Å; I869-T873 PolarHBondContact O-OG1 3.09Å; R870-T873 CarbonylContact O-C 3.53Å; R870-T873 PolarHBondContact O-N 2.69Å; T873-Q877 WeakPolarHBondContact O-CG 3.22Å; T873-Q877 PolarHBondContact O-N 3.11Å |
| 874 | D | 33 | Very low | 33.4 | Very low | 83 Ų | 83 | 95.5 Ų | 95.5 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -74.9 | -33.2 | 177.3 | -53.7 | -24.6 | 0 | 0 | 0 | 109.9 | R870 Q877 S878 | R870-D874 WeakPolarHBondContact CB-OD2 3.47Å; R870-D874 WeakPolarHBondContact O-CA 3.01Å; R870-D874 WeakPolarHBondContact O-CB 3.37Å; R870-D874 PolarHBondContact O-N 3.25Å; D874-Q877 CarbonylContact O-C 3.11Å; D874-Q877 PolarHBondContact O-N 3.28Å; D874-S878 PolarHBondContact O-N 3.13Å |
| 875 | G | 34.2 | Very low | 32.9 | Very low | 24 Ų | 24 | 97.2 Ų | 97.2 | 25% | 0.247 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -62.3 | -44 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E871 Q877 S878 L879 | E871-G875 WeakPolarHBondContact O-CA 3.36Å; E871-G875 PolarHBondContact O-N 3.47Å; G875-Q877 VanDerWaalsContact C-N 3.31Å; G875-Q877 PolarHBondContact O-N 3.26Å; G875-S878 PolarHBondContact O-N 3.19Å; G875-S878 VanDerWaalsContact O-N 3.15Å; G875-S878 PolarHBondContact O-OG 3.13Å; G875-L879 PolarHBondContact O-N 2.83Å |
| 876 | L | 30.7 | Very low | 32.5 | Very low | 108 Ų | 108 | 99.3 Ų | 99.3 | 57% | 0.565 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.6 | -28.2 | 173.6 | -71.4 | 170.1 | 0 | 0 | 0 | 112.8 | T872 | T872-L876 WeakPolarHBondContact O-CG 3.47Å; T872-L876 PolarHBondContact O-N 3.48Å |
| 877 | Q | 32.3 | Very low | 32 | Very low | 129 Ų | 129 | 99.5 Ų | 99.5 | 60% | 0.603 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72 | -32.7 | 169.6 | -70.2 | 176.1 | 36.6 | 0 | 0 | 112.2 | T873 D874 G875 L879 S880 | T873-Q877 WeakPolarHBondContact O-CG 3.22Å; T873-Q877 PolarHBondContact O-N 3.11Å; D874-Q877 CarbonylContact O-C 3.11Å; D874-Q877 PolarHBondContact O-N 3.28Å; G875-Q877 VanDerWaalsContact C-N 3.31Å; G875-Q877 PolarHBondContact O-N 3.26Å; Q877-L879 PolarHBondContact O-N 3.43Å; Q877-S880 PolarHBondContact O-N 3.31Å |
| 878 | S | 30.2 | Very low | 31.4 | Very low | 88 Ų | 88 | 100.2 Ų | 100.2 | 62% | 0.615 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.2 | -15.8 | 176.4 | 78.5 | 0 | 0 | 0 | 0 | 114.5 | D874 G875 | D874-S878 PolarHBondContact O-N 3.13Å; G875-S878 PolarHBondContact O-N 3.19Å; G875-S878 VanDerWaalsContact O-N 3.15Å; G875-S878 PolarHBondContact O-OG 3.13Å |
| 879 | L | 26.5 | Very low | 31 | Very low | 142 Ų | 142 | 103.9 Ų | 103.9 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -2.8 | 173.9 | -69.2 | 174.8 | 0 | 0 | 0 | 114 | G875 Q877 | G875-L879 PolarHBondContact O-N 2.83Å; Q877-L879 PolarHBondContact O-N 3.43Å |
| 880 | S | 28.5 | Very low | 30.3 | Very low | 95 Ų | 95 | 105.6 Ų | 105.6 | 66% | 0.664 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -101.5 | 8.6 | -179.9 | -169 | 0 | 0 | 0 | 0 | 114.4 | Q877 | Q877-S880 PolarHBondContact O-N 3.31Š|
| 881 | M | 26.6 | Very low | 29.7 | Very low | 177 Ų | 177 | 103.2 Ų | 103.2 | 87% | 0.872 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -134.9 | 50.9 | -179.1 | -75.5 | -69.5 | -71.6 | 0 | 0 | 111.4 | ||
| 882 | G | 26.4 | Very low | 29.4 | Very low | 73 Ų | 73 | 105 Ų | 105 | 75% | 0.753 | 69% | 0.689 | S | S | * | * | trans | -163.8 | 23.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 883 | A | 27.9 | Very low | 29 | Very low | 98 Ų | 98 | 104.5 Ų | 104.5 | 81% | 0.81 | 70% | 0.7 | S | S | * | * | trans | -134.3 | 43.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 884 | S | 26 | Very low | 28.7 | Very low | 132 Ų | 132 | 108 Ų | 108 | 92% | 0.923 | 71% | 0.714 | S | S | * | * | trans | -96.5 | 86.7 | 179.6 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 885 | G | 25.8 | Very low | 28.7 | Very low | 77 Ų | 77 | 110 Ų | 110 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | 153.8 | 116.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 886 | G | 28 | Very low | 28.6 | Very low | 87 Ų | 87 | 114 Ų | 114 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | trans | 93.6 | 138.9 | 173 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 887 | G | 26.4 | Very low | 28.9 | Very low | 69 Ų | 69 | 114.4 Ų | 114.4 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | cis | 171 | 119.2 | -11.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 888 | I | 26.3 | Very low | 29.1 | Very low | 163 Ų | 163 | 114.3 Ų | 114.3 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | 73 | 151.7 | 157.5 | -38.1 | -179.7 | 0 | 0 | 0 | 116.3 | ||||
| 889 | L | 28.1 | Very low | 29.3 | Very low | 147 Ų | 147 | 121.6 Ų | 121.6 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 77.1 | 106.3 | 176 | -51 | 179.8 | 0 | 0 | 0 | 115.3 | ||||
| 890 | T | 27.7 | Very low | 29.5 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | 70.7 | 133 | 61.8 | 68.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 891 | S | 27.9 | Very low | 29.8 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | cis | -166.4 | 169 | 10.5 | 42.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 892 | V | 30.9 | Very low | 30.1 | Very low | 141 Ų | 141 | 120.8 Ų | 120.8 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | 68.6 | 137.7 | 169.7 | -163.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 893 | G | 29.2 | Very low | 30.5 | Very low | 67 Ų | 67 | 121.9 Ų | 121.9 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | cis | -177.4 | 171.5 | -2.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 894 | I | 30.8 | Very low | 30.7 | Very low | 144 Ų | 144 | 124.6 Ų | 124.6 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | cis | -161.5 | 136.1 | 11.4 | -106.5 | 160.8 | 0 | 0 | 0 | 108.2 | ||||
| 895 | T | 32.6 | Very low | 31.4 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | 53.7 | 146.6 | 162.7 | 57.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 896 | S | 31.3 | Very low | 31.7 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | cis | -162.2 | 145.6 | -10.6 | -94.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 897 | P | 38.4 | Very low | 31.9 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | trans | -122.9 | 174.3 | -177.9 | 42.6 | -33.5 | 0 | 0 | 0 | 115.5 | ||||
| 898 | T | 35.9 | Very low | 32.3 | Very low | 128 Ų | 128 | 130 Ų | 130 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -171.9 | 123.8 | 142.6 | 11.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 899 | R | 33.4 | Very low | 32.6 | Very low | 240 Ų | 240 | 127.6 Ų | 127.6 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | trans | 53.3 | 148.7 | 131.5 | -69.7 | 176.5 | 174.3 | -150.1 | -2.2 | 123.2 | ||||
| 900 | R | 31.5 | Very low | 32.9 | Very low | 211 Ų | 211 | 127.6 Ų | 127.6 | 80% | 0.796 | 74% | 0.74 | S | S | * | * | cis | -162.3 | -151.5 | -24.8 | -152.3 | -160.7 | 175.8 | -153.7 | -1.4 | 107.2 | S902 | R900-S902 PolarHBondContact NE-OG 2.95Å; R900-S902 PolarHBondContact NH1-OG 2.68Å; R900-S902 PolarHBondContact NH2-OG 3.38Å | ||
| 901 | V | 34.7 | Very low | 33.3 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | cis | -162.3 | 138 | 7.6 | 65.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 902 | S | 32.3 | Very low | 33.7 | Very low | 73 Ų | 73 | 132.6 Ų | 132.6 | 51% | 0.51 | 74% | 0.741 | S | S | . | * | 68.4 | 136.4 | 66.2 | -33.7 | 0 | 0 | 0 | 0 | 116.3 | R900 | R900-S902 PolarHBondContact NE-OG 2.95Å; R900-S902 PolarHBondContact NH1-OG 2.68Å; R900-S902 PolarHBondContact NH2-OG 3.38Å | |||
| 903 | A | 35 | Very low | 34.1 | Very low | 96 Ų | 96 | 131.4 Ų | 131.4 | 79% | 0.793 | 74% | 0.735 | S | S | * | * | cis | -172.8 | 140.7 | -4.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 904 | D | 31.7 | Very low | 34.5 | Very low | 156 Ų | 156 | 140 Ų | 140 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | 71.2 | -179.1 | 118.5 | -124.3 | 27.5 | 0 | 0 | 0 | 125.1 | |||||
| 905 | P | 41.7 | Very low | 34.7 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | -142.5 | -159.5 | -107.9 | 48.4 | -28.4 | 0 | 0 | 0 | 121.2 | |||||
| 906 | S | 32.5 | Very low | 34.9 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | trans | 97.5 | 167.3 | 165.2 | 80.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 907 | F | 32.8 | Very low | 35.2 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | cis | -159.3 | -161.3 | -1.2 | -131.5 | -38.1 | 0 | 0 | 0 | 115.1 | ||||
| 908 | T | 33.2 | Very low | 35.2 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 49% | 0.485 | 75% | 0.753 | S | S | . | * | trans | -148.3 | -165.8 | -171.7 | 50.9 | 0 | 0 | 0 | 0 | 115.9 | M1 | M1-T908 HydrophobicContact CE-CG2 3.31Å; M1-T908 HydrophobicContact SD-CG2 3.47Å; M1-T908 WeakPolarHBondContact SD-CG2 2.79Å | ||
| 909 | T | 33.3 | Very low | 35.3 | Very low | 113 Ų | 113 | 140 Ų | 140 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | cis | -172.6 | 176.6 | 21.4 | -16.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 910 | N | 34.6 | Very low | 35.5 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | 83.1 | 171.2 | 155.4 | -58.2 | -5.7 | 0 | 0 | 0 | 123.7 | ||||
| 911 | D | 35.8 | Very low | 35.9 | Very low | 140 Ų | 140 | 128 Ų | 128 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | -169.4 | -179 | -62.5 | -142.7 | -31.9 | 0 | 0 | 0 | 115.1 | |||||
| 912 | Y | 36.6 | Very low | 36.1 | Very low | 188 Ų | 188 | 127.2 Ų | 127.2 | 74% | 0.737 | 74% | 0.742 | S | S | * | * | trans | 123.3 | 164.2 | 159.5 | -72.7 | -74.2 | 0 | 0 | 0 | 125.2 | ||||
| 913 | T | 38.9 | Very low | 36.3 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | trans | -154.3 | 169.9 | -156.2 | 60.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 914 | Y | 37 | Very low | 36.3 | Very low | 247 Ų | 247 | 132.3 Ų | 132.3 | 97% | 0.969 | 74% | 0.737 | S | S | * | * | trans | -176.8 | -177.8 | 149.7 | -96.7 | -60.9 | 0 | 0 | 0 | 118.2 | ||||
| 915 | A | 35.8 | Very low | 36.6 | Very low | 89 Ų | 89 | 129 Ų | 129 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | trans | -158.9 | 0 | -160.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 916 | T | 37.8 | Very low | 36.5 | Very low | 137 Ų | 137 | 130 Ų | 130 | 84% | 0.84 | 73% | 0.727 | S | S | * | * | 0 | 132.7 | 0 | 35.3 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 917 | N | 35.9 | Very low | 36.7 | Very low | 168 Ų | 168 | 127.7 Ų | 127.7 | 90% | 0.898 | 70% | 0.704 | S | S | * | * | trans | 48.2 | 0 | 141.4 | -56.7 | -10.1 | 0 | 0 | 0 | 135.8 | ||||
| 918 | G | 39 | Very low | 37.4 | Very low | 63 Ų | 63 | 121.4 Ų | 121.4 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 131.2 | |||||
| 919 | N | 38.2 | Very low | 37.8 | Very low | 163 Ų | 163 | 122.3 Ų | 122.3 | 87% | 0.872 | 68% | 0.684 | S | S | * | * | 0 | 0 | 0 | -61.1 | -36.8 | 0 | 0 | 0 | 128 | |||||
| 920 | T | 37.8 | Very low | 38.2 | Very low | 140 Ų | 140 | 119 Ų | 119 | 86% | 0.859 | 66% | 0.662 | S | S | * | * | 0 | 0 | 0 | 47.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 921 | G | 40.1 | Very low | 38.6 | Very low | 59 Ų | 59 | 117.6 Ų | 117.6 | 61% | 0.608 | 65% | 0.649 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 922 | V | 38.5 | Very low | 39 | Very low | 97 Ų | 97 | 114.2 Ų | 114.2 | 59% | 0.588 | 64% | 0.635 | S | S | * | * | 0 | 0 | 0 | 175.9 | 0 | 0 | 0 | 0 | 124.5 | D677 | D677-V922 WeakPolarHBondContact OD1-CA 3.1Š| |||
| 923 | L | 35.8 | Very low | 39 | Very low | 115 Ų | 115 | 112.4 Ų | 112.4 | 60% | 0.602 | 64% | 0.638 | S | S | * | * | 0 | 0 | 0 | -91.9 | -167 | 0 | 0 | 0 | 113.3 | N678 A679 | N678-L923 HydrophobicContact CB-CD2 3.54Å; N678-L923 CarbonylContact O-C 3.54Å; N678-L923 WeakPolarHBondContact O-CA 3.24Å; A679-L923 WeakPolarHBondContact CA-O 3.42Å; A679-L923 VanDerWaalsContact N-CA 3.35Å; A679-L923 CarbonylContact O-C 3.36Å | |||
| 924 | R | 35.3 | Very low | 38.8 | Very low | 161 Ų | 161 | 113.1 Ų | 113.1 | 61% | 0.608 | 65% | 0.647 | S | S | * | * | 0 | 163.9 | 0 | -116.6 | 178.8 | -163.7 | 172.5 | 4.3 | 113.3 | N678 | N678-R924 HydrophobicContact CB-CG 3.98Å; N678-R924 WeakPolarHBondContact O-CA 3.12Å; N678-R924 WeakPolarHBondContact O-CG 3.19Å; N678-R924 PolarHBondContact O-N 2.87Å; N678-R924 VanDerWaalsContact OD1-CZ 3.29Å; N678-R924 PolarHBondContact OD1-NE 2.9Å; N678-R924 PolarHBondContact OD1-NH2 3.24Å | |||
| 925 | T | 38.3 | Very low | 38.7 | Very low | 88 Ų | 88 | 109.6 Ų | 109.6 | 54% | 0.54 | 64% | 0.64 | S | S | . | * | cis | -167 | 160.2 | -37.1 | 31.4 | 0 | 0 | 0 | 0 | 117.1 | T681 | T681-T925 HydrophobicContact CG2-CG2 4.33Å; T681-T925 VanDerWaalsContact CG2-N 3.26Å | ||
| 926 | V | 38.7 | Very low | 39 | Very low | 121 Ų | 121 | 110.7 Ų | 110.7 | 73% | 0.733 | 64% | 0.639 | S | S | * | * | trans | 107.8 | 157.7 | 162.2 | -166 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 927 | Q | 37.5 | Very low | 38.6 | Very low | 61 Ų | 61 | 110.9 Ų | 110.9 | 29% | 0.285 | 64% | 0.641 | S | S | . | * | trans | -157.7 | 0 | -147.9 | -31.6 | 179.2 | 20.2 | 0 | 0 | 114.4 | P682 N683 F684 | P682-Q927 PolarHBondContact O-NE2 3.11Å; P682-Q927 PolarHBondContact O-OE1 2.94Å; P682-Q927 VanDerWaalsContact O-OE1 3.12Å; N683-Q927 VanDerWaalsContact C-OE1 3.29Å; N683-Q927 VanDerWaalsContact CA-OE1 3.27Å; F684-Q927 VanDerWaalsContact N-OE1 3.13Å | ||
| 928 | P | 47.9 | Very low | 38.5 | Very low | 57 Ų | 57 | 107.6 Ų | 107.6 | 37% | 0.37 | 64% | 0.637 | S | S | . | * | 0 | -162.5 | 0 | 45.6 | -21.8 | 0 | 0 | 0 | 121.3 | F684 K728 | F684-P928 HydrophobicContact CD1-CB 4.42Å; F684-P928 HydrophobicContact CD2-CB 3.2Å; F684-P928 HydrophobicContact CD2-CG 3.9Å; F684-P928 HydrophobicContact CE1-CB 4.22Å; F684-P928 HydrophobicContact CE2-CB 2.99Å; F684-P928 HydrophobicContact CE2-CG 3.15Å; F684-P928 HydrophobicContact CG-CB 3.94Å; F684-P928 HydrophobicContact CZ-CB 3.53Å; F684-P928 HydrophobicContact CZ-CG 3.55Å; K728-P928 HydrophobicContact CB-CG 3.88Å; K728-P928 HydrophobicContact CD-CG 3.97Å; K728-P928 HydrophobicContact CG-CG 4.42Å | |||
| 929 | N | 41.5 | Very low | 38.2 | Very low | 98 Ų | 98 | 112.9 Ų | 112.9 | 52% | 0.524 | 65% | 0.649 | S | S | . | * | trans | -166.5 | 171.6 | 161.3 | -142.5 | -84 | 0 | 0 | 0 | 118.9 | F381 | F381-N929 WeakPolarHBondContact CZ-OD1 3.2Š| ||
| 930 | N | 42.4 | Very low | 37.9 | Very low | 43 Ų | 43 | 113.7 Ų | 113.7 | 23% | 0.23 | 65% | 0.648 | C | S | . | * | trans | -169.7 | -178.3 | 179.1 | -150.7 | -7.5 | 0 | 0 | 0 | 120.1 | Y380 D731 | Y380-N930 WeakPolarHBondContact CD1-O 3.34Å; Y380-N930 WeakPolarHBondContact CE1-O 3.49Å; D731-N930 PolarHBondContact OD2-ND2 3.44Å | ||
| 931 | F | 42.8 | Very low | 37.8 | Very low | 118 Ų | 118 | 112.7 Ų | 112.7 | 52% | 0.518 | 65% | 0.647 | S | S | . | * | trans | 174.3 | -170.3 | 170 | -61.2 | -4.3 | 0 | 0 | 0 | 121 | A730 | A730-F931 HydrophobicContact CB-CE1 3.87Å; A730-F931 HydrophobicContact CB-CZ 3.67Å | ||
| 932 | P | 43.3 | Very low | 37.8 | Very low | 68 Ų | 68 | 115.9 Ų | 115.9 | 44% | 0.442 | 66% | 0.656 | S | S | . | * | trans | -145.4 | -172.9 | -144.9 | 45.8 | -25.1 | 0 | 0 | 0 | 123.9 | ||||
| 933 | N | 36.1 | Very low | 37.7 | Very low | 150 Ų | 150 | 118.6 Ų | 118.6 | 80% | 0.802 | 67% | 0.668 | S | S | * | * | trans | 98.5 | 143.4 | 152.6 | -61.4 | -15.3 | 0 | 0 | 0 | 126.9 | ||||
| 934 | S | 34.6 | Very low | 37.8 | Very low | 132 Ų | 132 | 119.7 Ų | 119.7 | 92% | 0.923 | 67% | 0.673 | S | S | * | * | trans | 153.6 | 160 | 151.2 | 52 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 935 | Q | 36.2 | Very low | 38.1 | Very low | 173 Ų | 173 | 120 Ų | 120 | 81% | 0.808 | 69% | 0.685 | S | S | * | * | trans | -168.1 | 157 | 176.3 | -155.2 | -138.8 | -70.9 | 0 | 0 | 119.2 | ||||
| 936 | P | 41.2 | Very low | 38.2 | Very low | 112 Ų | 112 | 122 Ų | 122 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | trans | -138.3 | -171.3 | 171.6 | 43.3 | -26.7 | 0 | 0 | 0 | 119.5 | ||||
| 937 | T | 30.4 | Very low | 38.6 | Very low | 141 Ų | 141 | 121.2 Ų | 121.2 | 87% | 0.865 | 70% | 0.699 | S | S | * | * | trans | -151.2 | 167.1 | -169.9 | -49.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 938 | A | 32 | Very low | 39 | Very low | 99 Ų | 99 | 125 Ų | 125 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | -159.6 | -178.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 939 | L | 33.1 | Very low | 38.9 | Very low | 175 Ų | 175 | 127.6 Ų | 127.6 | 92% | 0.916 | 74% | 0.736 | S | S | * | * | trans | -157.7 | 165.6 | -174.7 | -118.2 | 174.8 | 0 | 0 | 0 | 117.7 | ||||
| 940 | Q | 32.3 | Very low | 39 | Very low | 180 Ų | 180 | 129.8 Ų | 129.8 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | trans | -168.5 | 164.9 | -179.9 | -157.9 | 178.7 | -92.9 | 0 | 0 | 117.6 | ||||
| 941 | S | 36.7 | Very low | 39.1 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -169.8 | 146.6 | 168.4 | -76.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 942 | P | 38.5 | Very low | 39 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -144.8 | 176.9 | 175.9 | 43.9 | -26.6 | 0 | 0 | 0 | 120.4 | ||||
| 943 | N | 38.3 | Very low | 38.9 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -172 | -179.5 | 166.8 | -135.5 | -25.4 | 0 | 0 | 0 | 112.8 | ||||
| 944 | I | 37.3 | Very low | 39.2 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | cis | -165 | 158.9 | -0.9 | -169.1 | 164.7 | 0 | 0 | 0 | 112.1 | ||||
| 945 | I | 42.2 | Very low | 39.4 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 86% | 0.862 | 80% | 0.803 | S | S | * | * | trans | -159.4 | 170.3 | 176 | 36 | 170 | 0 | 0 | 0 | 118 | ||||
| 946 | P | 40.2 | Very low | 39.5 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | trans | -122.6 | -164.8 | -170.9 | 45 | -32.8 | 0 | 0 | 0 | 119.7 | ||||
| 947 | S | 45.8 | Very low | 39.3 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -130.7 | -159.7 | -176.2 | 62.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 948 | N | 45.7 | Very low | 39.6 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | cis | -171.8 | -176.4 | 27 | -119.2 | 14 | 0 | 0 | 0 | 110 | ||||
| 949 | V | 45.4 | Very low | 39.7 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 67% | 0.673 | 79% | 0.792 | S | S | * | * | cis | -172.4 | 150.3 | -44.8 | 113 | 0 | 0 | 0 | 0 | 115 | ||||
| 950 | N | 44.1 | Very low | 39.7 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 57.9 | 143.9 | 157.5 | -68.1 | 12 | 0 | 0 | 0 | 128.5 | ||||
| 951 | P | 44.9 | Very low | 39.8 | Very low | 132 Ų | 132 | 129 Ų | 129 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | -123.2 | -67.2 | 148.9 | 35.1 | -20.3 | 0 | 0 | 0 | 118.2 | ||||
| 952 | S | 41 | Very low | 39.4 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -160.3 | -136.5 | -171.1 | -80 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 953 | Y | 41.2 | Very low | 39.1 | Very low | 228 Ų | 228 | 129.8 Ų | 129.8 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | trans | -154.4 | 174 | -141.3 | -84 | -76 | 0 | 0 | 0 | 114 | ||||
| 954 | A | 41.5 | Very low | 38.8 | Very low | 93 Ų | 93 | 125.2 Ų | 125.2 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | cis | -158.8 | -162.4 | -4.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 955 | S | 38.5 | Very low | 38.8 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | cis | -153.4 | -103.1 | 13.4 | 64.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 956 | S | 38.8 | Very low | 38.4 | Very low | 98 Ų | 98 | 118.8 Ų | 118.8 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | trans | -160.8 | 177.6 | -160.2 | 67.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 957 | Q | 37 | Very low | 37.9 | Very low | 182 Ų | 182 | 118.6 Ų | 118.6 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | cis | -122.7 | -128.2 | 9 | -56.6 | -173.1 | 9.7 | 0 | 0 | 112.4 | ||||
| 958 | G | 36.4 | Very low | 37.1 | Very low | 66 Ų | 66 | 120.1 Ų | 120.1 | 68% | 0.68 | 72% | 0.719 | S | S | * | * | cis | 126.1 | 145.2 | 0.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 959 | T | 34.2 | Very low | 36.4 | Very low | 127 Ų | 127 | 118 Ų | 118 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | cis | -155.3 | -162.5 | -11 | 47.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 960 | T | 33.4 | Very low | 35.7 | Very low | 136 Ų | 136 | 118 Ų | 118 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | cis | -147.3 | -98.9 | 12.4 | -39.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 961 | A | 33.9 | Very low | 35 | Very low | 91 Ų | 91 | 121.6 Ų | 121.6 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | trans | -155.2 | 154.9 | -162.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 962 | S | 29.7 | Very low | 34.2 | Very low | 100 Ų | 100 | 118.1 Ų | 118.1 | 70% | 0.699 | 71% | 0.708 | S | S | * | * | cis | -165.8 | 152.9 | -9.2 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 963 | N | 32.4 | Very low | 33.5 | Very low | 159 Ų | 159 | 120.8 Ų | 120.8 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | trans | 83.4 | 149.6 | 162.8 | -58.7 | -9.3 | 0 | 0 | 0 | 120.8 | ||||
| 964 | D | 31 | Very low | 32.7 | Very low | 58 Ų | 58 | 120.7 Ų | 120.7 | 31% | 0.31 | 71% | 0.711 | S | S | . | * | trans | -169.5 | -169.1 | -157.1 | -160.4 | 24.9 | 0 | 0 | 0 | 108.9 | R848 S849 H850 N851 | R848-D964 IonicContact CZ-OD1 3.93Å; R848-D964 IonicContact NH2-OD1 2.73Å; R848-D964 PolarHBondContact NH2-OD1 3.42Å; S849-D964 PolarHBondContact OG-OD1 3.42Å; H850-D964 WeakPolarHBondContact CB-OD2 3.38Å; H850-D964 IonicContact CD2-OD1 2.61Å; H850-D964 PolarHBondContact CD2-OD1 2.96Å; H850-D964 IonicContact CD2-OD2 3.48Å; H850-D964 IonicContact CG-OD2 2.7Å; N851-D964 PolarHBondContact ND2-OD2 2.94Å | ||
| 965 | P | 38 | Very low | 32.1 | Very low | 78 Ų | 78 | 122 Ų | 122 | 51% | 0.506 | 71% | 0.709 | S | S | . | * | cis | -114.9 | -174.6 | -39.8 | 18.1 | 7.4 | 0 | 0 | 0 | 112.2 | ||||
| 966 | T | 32.5 | Very low | 31.6 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 58% | 0.577 | 71% | 0.714 | S | S | * | * | -178.6 | 127.5 | 81.2 | 41.1 | 0 | 0 | 0 | 0 | 115.4 | Q847 R848 | Q847-T966 CarbonylContact C-O 3.58Å; R848-T966 VanDerWaalsContact C-C 3.5Å; R848-T966 PolarHBondContact N-O 3.21Å; R848-T966 CarbonylContact O-C 3.19Å; R848-T966 VanDerWaalsContact O-CA 3.24Å; R848-T966 WeakPolarHBondContact O-CA 3.25Å; R848-T966 PolarHBondContact O-N 2.92Å; R848-T966 VanDerWaalsContact O-N 3.13Å | |||
| 967 | L | 31.4 | Very low | 31.1 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 67% | 0.665 | 72% | 0.721 | S | S | * | * | trans | 47.1 | 125.8 | 151.6 | -57.1 | 177.4 | 0 | 0 | 0 | 124.3 | Q847 R848 S849 | Q847-L967 VanDerWaalsContact C-C 3.49Å; Q847-L967 CarbonylContact C-O 3.59Å; R848-L967 PolarHBondContact O-N 3.05Å; S849-L967 PolarHBondContact O-N 2.83Å | ||
| 968 | Q | 28.3 | Very low | 30.6 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 63% | 0.631 | 72% | 0.718 | S | S | * | * | -174.5 | 171.6 | 123.6 | -103.5 | -174.2 | 35.6 | 0 | 0 | 112.3 | S846 | S846-Q968 PolarHBondContact O-OE1 2.83Š| |||
| 969 | S | 31.4 | Very low | 30.1 | Very low | 97 Ų | 97 | 128.1 Ų | 128.1 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | trans | -157.1 | 153 | -153.5 | 62 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 970 | T | 31.2 | Very low | 29.6 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | trans | 66.6 | 158.9 | 157.9 | -5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 971 | Y | 28.6 | Very low | 29.4 | Very low | 220 Ų | 220 | 124.9 Ų | 124.9 | 86% | 0.863 | 69% | 0.692 | S | S | * | * | cis | -137.4 | 176.5 | 12 | -66.4 | -94.2 | 0 | 0 | 0 | 109.4 | ||||
| 972 | G | 27.1 | Very low | 29.2 | Very low | 60 Ų | 60 | 121.7 Ų | 121.7 | 62% | 0.619 | 66% | 0.663 | S | S | * | * | cis | 172.2 | -141 | 7.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 973 | L | 27.5 | Very low | 28.8 | Very low | 162 Ų | 162 | 118.4 Ų | 118.4 | 85% | 0.848 | 64% | 0.637 | S | S | * | * | trans | 74.4 | 106.6 | -175.8 | -57.2 | 163.4 | 0 | 0 | 0 | 113.6 | ||||
| 974 | R | 24.8 | Very low | 28.7 | Very low | 226 Ų | 226 | 111.8 Ų | 111.8 | 85% | 0.853 | 60% | 0.602 | S | S | * | * | 75.7 | 87.2 | 70.3 | -75.3 | -169.6 | 178.5 | -172.5 | -0.1 | 114.6 | |||||
| 975 | T | 28.5 | Very low | 28.6 | Very low | 120 Ų | 120 | 111 Ų | 111 | 74% | 0.736 | 60% | 0.598 | S | S | * | * | -178.4 | 144.4 | 116.1 | 26.5 | 0 | 0 | 0 | 0 | 111.2 | K977 | T975-K977 VanDerWaalsContact C-N 3.33Å; T975-K977 PolarHBondContact O-N 3.07Å | |||
| 976 | N | 27.8 | Very low | 28.1 | Very low | 168 Ų | 168 | 111.3 Ų | 111.3 | 90% | 0.898 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 45.1 | 24.1 | 159.5 | -59.6 | -0.2 | 0 | 0 | 0 | 121.1 | ||
| 977 | K | 28 | Very low | 27.9 | Very low | 192 Ų | 192 | 113 Ų | 113 | 84% | 0.835 | 60% | 0.595 | S | S | * | * | trans | -104.6 | 94.6 | 175.7 | -73.7 | -175.6 | 175.4 | -178.3 | 0 | 113.3 | T975 | T975-K977 VanDerWaalsContact C-N 3.33Å; T975-K977 PolarHBondContact O-N 3.07Å | ||
| 978 | A | 27 | Very low | 27.8 | Very low | 96 Ų | 96 | 110.4 Ų | 110.4 | 79% | 0.793 | 59% | 0.586 | S | S | * | * | trans | -147.6 | -20.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L980 | A978-L980 VanDerWaalsContact C-N 3.35Å; A978-L980 PolarHBondContact O-N 3.3Å | ||
| 979 | L | 25.5 | Very low | 27.8 | Very low | 136 Ų | 136 | 107.3 Ų | 107.3 | 71% | 0.712 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -82.3 | 5.7 | -170.2 | -88.5 | 162.3 | 0 | 0 | 0 | 116.2 | ||
| 980 | L | 24.5 | Very low | 27.8 | Very low | 73 Ų | 73 | 110.9 Ų | 110.9 | 38% | 0.382 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -115.6 | -8.1 | -155.1 | -64.3 | 175.6 | 0 | 0 | 0 | 117.7 | A978 P1141 | A978-L980 VanDerWaalsContact C-N 3.35Å; A978-L980 PolarHBondContact O-N 3.3Å; L980-P1141 HydrophobicContact CB-CB 4.03Å; L980-P1141 HydrophobicContact CD2-CB 3.81Å; L980-P1141 HydrophobicContact CD2-CG 3.79Å; L980-P1141 WeakPolarHBondContact O-CB 3.31Å |
| 981 | N | 27.6 | Very low | 27.6 | Very low | 121 Ų | 121 | 108.3 Ų | 108.3 | 65% | 0.647 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -122.5 | 34.1 | -169.5 | -73.5 | 41.3 | 0 | 0 | 0 | 114.4 | ||
| 982 | T | 29.7 | Very low | 27.6 | Very low | 25 Ų | 25 | 100.9 Ų | 100.9 | 15% | 0.153 | 58% | 0.576 | C | S | . | * | trans | -155.6 | 62.5 | 175.5 | -35.8 | 0 | 0 | 0 | 0 | 115.7 | V860 M865 | V860-T982 HydrophobicContact CB-CG2 3.56Å; V860-T982 WeakPolarHBondContact CB-OG1 3.15Å; V860-T982 HydrophobicContact CG1-CG2 3.69Å; V860-T982 WeakPolarHBondContact CG1-OG1 3.06Å; V860-T982 WeakPolarHBondContact O-CG2 3.39Å; M865-T982 HydrophobicContact CB-CG2 4.48Å; M865-T982 HydrophobicContact CE-CG2 4.4Å | ||
| 983 | L | 22.9 | Very low | 27.7 | Very low | 30 Ų | 30 | 102.6 Ų | 102.6 | 16% | 0.157 | 57% | 0.566 | C | S | . | * | S | Bend | trans | -138.5 | 157.3 | 138.6 | -105 | 98.8 | 0 | 0 | 0 | 111 | M865 Y1098 I1102 L1142 | M865-L983 HydrophobicContact CE-CD1 4.16Å; M865-L983 HydrophobicContact CE-CD2 4.37Å; M865-L983 HydrophobicContact CE-CG 3.7Å; M865-L983 HydrophobicContact CG-CD1 3.99Å; M865-L983 HydrophobicContact CG-CG 4.5Å; M865-L983 HydrophobicContact SD-CD1 4.02Å; M865-L983 HydrophobicContact SD-CD2 4.12Å; M865-L983 HydrophobicContact SD-CG 3.89Å; L983-Y1098 HydrophobicContact CB-CE1 3.65Å; L983-Y1098 HydrophobicContact CD1-CD1 3.77Å; L983-Y1098 HydrophobicContact CD1-CE1 3.15Å; L983-Y1098 HydrophobicContact CD2-CD1 4.32Å; L983-Y1098 HydrophobicContact CD2-CE1 3.95Å; L983-Y1098 HydrophobicContact CG-CD1 4.45Å; L983-Y1098 HydrophobicContact CG-CE1 3.7Å; L983-I1102 HydrophobicContact CB-CD1 4.26Å; L983-I1102 HydrophobicContact CB-CG1 4.16Å; L983-I1102 HydrophobicContact CD2-CB 3.95Å; L983-I1102 HydrophobicContact CD2-CD1 3.91Å; L983-I1102 HydrophobicContact CD2-CG1 3.66Å; L983-I1102 HydrophobicContact CD2-CG2 3.93Å; L983-L1142 HydrophobicContact CB-CD2 3.78Å |
| 984 | I | 29.6 | Very low | 27.6 | Very low | 20 Ų | 20 | 97.4 Ų | 97.4 | 10% | 0.103 | 54% | 0.539 | C | S | . | . | trans | 72.1 | 133.2 | -168.6 | -45.1 | 142.9 | 0 | 0 | 0 | 111 | I1102 L1142 L1148 I1150 | I984-I1102 HydrophobicContact CG1-CG1 4.32Å; I984-L1142 HydrophobicContact CD1-CB 3.69Å; I984-L1142 HydrophobicContact CD1-CD1 4.37Å; I984-L1142 HydrophobicContact CD1-CD2 3.44Å; I984-L1142 VanDerWaalsContact CD1-CD2 3.44Å; I984-L1142 HydrophobicContact CD1-CG 3.96Å; I984-L1142 HydrophobicContact CG1-CD2 4.21Å; I984-L1148 HydrophobicContact CB-CB 3.94Å; I984-L1148 HydrophobicContact CB-CD1 4.12Å; I984-L1148 HydrophobicContact CB-CD2 3.7Å; I984-L1148 HydrophobicContact CB-CG 4.08Å; I984-L1148 HydrophobicContact CD1-CB 4.16Å; I984-L1148 HydrophobicContact CD1-CD1 3.79Å; I984-L1148 HydrophobicContact CD1-CG 4.47Å; I984-L1148 HydrophobicContact CG2-CB 3.7Å; I984-L1148 HydrophobicContact CG2-CD2 4.02Å; I984-L1148 HydrophobicContact CG2-CG 4.32Å; I984-L1148 WeakPolarHBondContact O-CD2 3.46Å; I984-I1150 HydrophobicContact CD1-CD1 3.52Å; I984-I1150 HydrophobicContact CD1-CG1 3.26Å; I984-I1150 HydrophobicContact CG1-CD1 3.47Å; I984-I1150 VanDerWaalsContact CG1-CD1 3.47Å; I984-I1150 HydrophobicContact CG1-CG1 3.59Å; I984-I1150 HydrophobicContact CG2-CG1 4.2Å | ||
| 985 | N | 28.6 | Very low | 28 | Very low | 43 Ų | 43 | 89.9 Ų | 89.9 | 23% | 0.23 | 51% | 0.512 | C | S | . | . | trans | -164 | 75 | 136 | -112 | -27.6 | 0 | 0 | 0 | 107.1 | G858 R859 Q1147 L1148 | G858-N985 PolarHBondContact O-ND2 3.37Å; R859-N985 HydrophobicContact CG-CB 4.44Å; N985-Q1147 WeakPolarHBondContact OD1-CB 3.3Å; N985-Q1147 PolarHBondContact OD1-O 3.01Å; N985-L1148 HydrophobicContact CB-CD2 4.48Å; N985-L1148 VanDerWaalsContact OD1-CD2 3.32Å; N985-L1148 WeakPolarHBondContact OD1-CD2 3.36Å | ||
| 986 | Y | 27.3 | Very low | 28.5 | Very low | 84 Ų | 84 | 86.9 Ų | 86.9 | 33% | 0.329 | 49% | 0.489 | S | S | . | . | trans | -62 | 168.2 | 178.7 | -158.4 | -85.3 | 0 | 0 | 0 | 110.2 | P988 E1106 H1149 I1150 | Y986-P988 HydrophobicContact CD1-CB 4.16Å; Y986-P988 HydrophobicContact CE1-CB 4.05Å; Y986-E1106 HydrophobicContact CE2-CG 4.47Å; Y986-H1149 VanDerWaalsContact C-CD2 3.45Å; Y986-H1149 HydrophobicContact CD1-CB 4.25Å; Y986-H1149 HydrophobicContact CG-CB 4.45Å; Y986-H1149 PolarHBondContact O-CD2 3.46Å; Y986-H1149 PolarHBondContact O-NE2 3.45Å; Y986-I1150 HydrophobicContact CD2-CG2 4.5Å | ||
| 987 | D | 27.9 | Very low | 28.7 | Very low | 128 Ų | 128 | 81.9 Ų | 81.9 | 68% | 0.684 | 47% | 0.466 | S | S | * | . | trans | -141.2 | 124.3 | 164.3 | -178.7 | 7.2 | 0 | 0 | 0 | 106.6 | G989 | D987-G989 PolarHBondContact O-N 2.85Š| ||
| 988 | P | 29.7 | Very low | 29.4 | Very low | 74 Ų | 74 | 75.7 Ų | 75.7 | 48% | 0.481 | 44% | 0.444 | S | S | . | . | trans | -98 | 66.2 | -162.3 | 32.3 | -16 | 0 | 0 | 0 | 111.1 | Y986 H1149 | Y986-P988 HydrophobicContact CD1-CB 4.16Å; Y986-P988 HydrophobicContact CE1-CB 4.05Å; P988-H1149 VanDerWaalsContact CD-CD2 3.4Å; P988-H1149 WeakPolarHBondContact CD-CD2 3.42Å | ||
| 989 | G | 27.8 | Very low | 30.6 | Very low | 70 Ų | 70 | 71.1 Ų | 71.1 | 72% | 0.722 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -122.6 | -42.1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | D987 | D987-G989 PolarHBondContact O-N 2.85Š|
| 990 | D | 32.1 | Very low | 31.6 | Very low | 171 Ų | 171 | 66.5 Ų | 66.5 | 91% | 0.914 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -144.5 | 158.2 | -169.7 | -155.5 | -3.1 | 0 | 0 | 0 | 113.8 | ||
| 991 | G | 27.2 | Very low | 32.9 | Very low | 56 Ų | 56 | 66.5 Ų | 66.5 | 58% | 0.577 | 39% | 0.387 | S | S | * | . | trans | -74.5 | 163.9 | -160.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 992 | P | 27.7 | Very low | 34.2 | Very low | 64 Ų | 64 | 68.7 Ų | 68.7 | 42% | 0.416 | 39% | 0.393 | S | S | . | . | trans | -79 | 150.6 | -163.9 | 32.2 | -37.2 | 0 | 0 | 0 | 113.8 | ||||
| 993 | K | 29.2 | Very low | 35.6 | Very low | 96 Ų | 96 | 69.4 Ų | 69.4 | 42% | 0.417 | 40% | 0.397 | S | S | . | . | trans | -147.2 | 109.5 | 144.7 | -65 | -162 | 177.3 | -163.5 | 0 | 108.9 | S184 K995 | S184-K993 PolarHBondContact OG-NZ 2.89Å; K993-K995 HydrophobicContact CB-CG 4.12Å; K993-K995 PolarHBondContact O-N 3.09Å | ||
| 994 | L | 25.9 | Very low | 37.3 | Very low | 53 Ų | 53 | 69 Ų | 69 | 28% | 0.277 | 40% | 0.395 | S | S | . | . | trans | -71.2 | 106.4 | 167.7 | -111.2 | 165.4 | 0 | 0 | 0 | 108.8 | K996 V998 G1068 | L994-K996 VanDerWaalsContact C-N 3.27Å; L994-K996 PolarHBondContact O-N 3.45Å; L994-V998 HydrophobicContact CD2-CG2 4.46Å; L994-G1068 PolarHBondContact N-O 3.29Å | ||
| 995 | K | 34.5 | Very low | 38.8 | Very low | 67 Ų | 67 | 72.1 Ų | 72.1 | 29% | 0.291 | 41% | 0.408 | S | S | . | . | trans | -88.9 | 69 | -172.1 | -78.8 | 176.2 | 178.6 | -174.3 | 0 | 111.4 | P177 I178 S181 K993 | P177-K995 HydrophobicContact CB-CB 3.84Å; P177-K995 HydrophobicContact CB-CG 4.44Å; I178-K995 HydrophobicContact CB-CD 4.25Å; I178-K995 HydrophobicContact CG1-CD 3.78Å; S181-K995 VanDerWaalsContact OG-CE 3.25Å; S181-K995 WeakPolarHBondContact OG-CE 3.41Å; K993-K995 HydrophobicContact CB-CG 4.12Å; K993-K995 PolarHBondContact O-N 3.09Å | ||
| 996 | K | 37.2 | Very low | 40.5 | Very low | 58 Ų | 58 | 74.8 Ų | 74.8 | 25% | 0.252 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 9.2 | 132.6 | 156.2 | -48.8 | 178.7 | -171.9 | 175.5 | 0 | 117.4 | P177 L994 H1026 N1027 E1065 | P177-K996 WeakPolarHBondContact CB-O 3.29Å; P177-K996 WeakPolarHBondContact CG-O 3.4Å; L994-K996 VanDerWaalsContact C-N 3.27Å; L994-K996 PolarHBondContact O-N 3.45Å; K996-H1026 HydrophobicContact CD-CB 3.99Å; K996-H1026 PolarHBondContact NZ-O 3.1Å; K996-N1027 PolarHBondContact NZ-OD1 2.97Å; K996-E1065 WeakPolarHBondContact CA-OE1 3.43Å; K996-E1065 WeakPolarHBondContact CB-OE1 3.48Å |
| 997 | P | 32.3 | Very low | 42.2 | Very low | 62 Ų | 62 | 70.9 Ų | 70.9 | 40% | 0.403 | 40% | 0.402 | S | S | . | . | cis | -115.6 | 144 | -9.4 | 34.2 | -18.5 | 0 | 0 | 0 | 114.1 | I999 L1004 E1065 | P997-I999 HydrophobicContact CB-CB 4.3Å; P997-I999 WeakPolarHBondContact CB-O 3.43Å; P997-I999 WeakPolarHBondContact CG-O 3.28Å; P997-L1004 HydrophobicContact CB-CD1 4.04Å; P997-L1004 HydrophobicContact CG-CD1 3.86Å; P997-E1065 VanDerWaalsContact CA-CD 3.41Å; P997-E1065 VanDerWaalsContact CA-OE1 3.29Å; P997-E1065 WeakPolarHBondContact CA-OE1 3.19Å; P997-E1065 WeakPolarHBondContact CA-OE2 3.25Å; P997-E1065 WeakPolarHBondContact CB-OE1 3.38Å; P997-E1065 WeakPolarHBondContact CB-OE2 3.46Å | ||
| 998 | V | 44.1 | Very low | 43.9 | Very low | 63 Ų | 63 | 69.7 Ų | 69.7 | 38% | 0.382 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -73.4 | -25.1 | 164.1 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | L994 G1000 L1061 E1065 | L994-V998 HydrophobicContact CD2-CG2 4.46Å; V998-G1000 PolarHBondContact O-N 3.01Å; V998-L1061 HydrophobicContact CG1-CD2 3.85Å; V998-E1065 HydrophobicContact CB-CB 4.3Å; V998-E1065 HydrophobicContact CG2-CB 4.48Å; V998-E1065 PolarHBondContact N-OE2 3.19Å |
| 999 | I | 52.3 | Low | 45.5 | Very low | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -71.7 | 106.2 | 169.2 | -41.8 | 147.6 | 0 | 0 | 0 | 109.2 | P997 T1003 L1004 I1007 L1061 I1062 E1065 | P997-I999 HydrophobicContact CB-CB 4.3Å; P997-I999 WeakPolarHBondContact CB-O 3.43Å; P997-I999 WeakPolarHBondContact CG-O 3.28Å; I999-T1003 HydrophobicContact CG2-CG2 3.73Å; I999-L1004 HydrophobicContact CB-CD1 4.48Å; I999-L1004 HydrophobicContact CB-CD2 4.13Å; I999-L1004 HydrophobicContact CB-CG 3.89Å; I999-L1004 HydrophobicContact CD1-CD2 3.78Å; I999-L1004 HydrophobicContact CD1-CG 4.41Å; I999-L1004 HydrophobicContact CG2-CB 4.47Å; I999-L1004 HydrophobicContact CG2-CD2 3.89Å; I999-L1004 HydrophobicContact CG2-CG 3.65Å; I999-I1007 HydrophobicContact CG2-CD1 4.27Å; I999-L1061 HydrophobicContact CB-CB 4.33Å; I999-L1061 HydrophobicContact CG1-CB 3.86Å; I999-I1062 HydrophobicContact CD1-CB 4.14Å; I999-I1062 HydrophobicContact CD1-CG1 3.43Å; I999-I1062 VanDerWaalsContact CD1-CG1 3.43Å; I999-I1062 HydrophobicContact CG1-CB 4.5Å; I999-I1062 HydrophobicContact CG1-CG1 3.85Å; I999-E1065 WeakPolarHBondContact CD1-OE2 3.39Å; I999-E1065 WeakPolarHBondContact CG1-OE2 3.39Å; I999-E1065 PolarHBondContact N-OE2 3.48Å |
| 1000 | G | 46.5 | Very low | 47.2 | Very low | 38 Ų | 38 | 69.9 Ų | 69.9 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | trans | -56.8 | 148 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V998 Q1002 T1003 L1004 | V998-G1000 PolarHBondContact O-N 3.01Å; G1000-Q1002 PolarHBondContact O-N 3.48Å; G1000-Q1002 VanDerWaalsContact O-N 3.08Å; G1000-T1003 WeakPolarHBondContact O-CA 3.44Å; G1000-T1003 WeakPolarHBondContact O-CB 3.13Å; G1000-T1003 PolarHBondContact O-N 2.8Å; G1000-L1004 PolarHBondContact O-N 3.12Å | ||
| 1001 | Y | 50.4 | Low | 48.4 | Very low | 74 Ų | 74 | 65.2 Ų | 65.2 | 29% | 0.29 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -53.4 | -36.4 | -176.2 | 169.2 | -106.6 | 0 | 0 | 0 | 113.5 | K212 T1003 L1004 K1005 | K212-Y1001 VanDerWaalsContact CA-CE2 3.46Å; K212-Y1001 HydrophobicContact CB-CD1 4.38Å; K212-Y1001 HydrophobicContact CB-CD2 3.48Å; K212-Y1001 VanDerWaalsContact CB-CD2 3.48Å; K212-Y1001 HydrophobicContact CB-CE2 3.82Å; K212-Y1001 HydrophobicContact CB-CG 3.77Å; K212-Y1001 HydrophobicContact CD-CD1 3.55Å; K212-Y1001 HydrophobicContact CD-CD2 4.21Å; K212-Y1001 HydrophobicContact CD-CE1 4Å; K212-Y1001 HydrophobicContact CD-CG 3.61Å; K212-Y1001 HydrophobicContact CG-CD1 3.64Å; K212-Y1001 HydrophobicContact CG-CD2 3.61Å; K212-Y1001 HydrophobicContact CG-CE1 3.7Å; K212-Y1001 HydrophobicContact CG-CE2 3.71Å; K212-Y1001 HydrophobicContact CG-CG 3.54Å; Y1001-T1003 VanDerWaalsContact C-N 3.27Å; Y1001-T1003 PolarHBondContact O-N 3.26Å; Y1001-L1004 PolarHBondContact O-N 3.39Å; Y1001-K1005 HydrophobicContact CD2-CB 4.42Å; Y1001-K1005 HydrophobicContact CE1-CB 4.22Å; Y1001-K1005 HydrophobicContact CE1-CD 3.95Å; Y1001-K1005 HydrophobicContact CE2-CB 4.01Å; Y1001-K1005 WeakPolarHBondContact O-CA 3.48Å; Y1001-K1005 WeakPolarHBondContact O-CB 3.49Å; Y1001-K1005 PolarHBondContact O-N 3Å |
| 1002 | Q | 55.3 | Low | 49.8 | Very low | 167 Ų | 167 | 67.3 Ų | 67.3 | 78% | 0.78 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.8 | -37.5 | 176.5 | -72.4 | 165.9 | -34.9 | 0 | 0 | 111.9 | G1000 K1006 | G1000-Q1002 PolarHBondContact O-N 3.48Å; G1000-Q1002 VanDerWaalsContact O-N 3.08Å; Q1002-K1006 WeakPolarHBondContact O-CB 3.47Å; Q1002-K1006 PolarHBondContact O-N 3.46Å |
| 1003 | T | 59.7 | Low | 51.2 | Low | 40 Ų | 40 | 72.4 Ų | 72.4 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -73.3 | -46.3 | 176 | -47.2 | 0 | 0 | 0 | 0 | 111.3 | I999 G1000 Y1001 K1005 K1006 I1007 P1058 L1061 | I999-T1003 HydrophobicContact CG2-CG2 3.73Å; G1000-T1003 WeakPolarHBondContact O-CA 3.44Å; G1000-T1003 WeakPolarHBondContact O-CB 3.13Å; G1000-T1003 PolarHBondContact O-N 2.8Å; Y1001-T1003 VanDerWaalsContact C-N 3.27Å; Y1001-T1003 PolarHBondContact O-N 3.26Å; T1003-K1005 VanDerWaalsContact C-N 3.27Å; T1003-K1005 PolarHBondContact O-N 3.43Å; T1003-K1006 PolarHBondContact O-N 3.06Å; T1003-I1007 HydrophobicContact CG2-CD1 4.09Å; T1003-I1007 WeakPolarHBondContact O-CD1 3.29Å; T1003-I1007 VanDerWaalsContact O-CG1 3.23Å; T1003-I1007 WeakPolarHBondContact O-CG1 3.45Å; T1003-I1007 PolarHBondContact O-N 3.4Å; T1003-P1058 HydrophobicContact CG2-CB 4.37Å; T1003-P1058 HydrophobicContact CG2-CG 4.11Å; T1003-L1061 HydrophobicContact CG2-CD1 4.43Å |
| 1004 | L | 58.7 | Low | 53.3 | Low | 21 Ų | 21 | 71.4 Ų | 71.4 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.6 | -38.1 | 172.9 | -80.8 | 177.6 | 0 | 0 | 0 | 112.5 | P997 I999 G1000 Y1001 R1008 | P997-L1004 HydrophobicContact CB-CD1 4.04Å; P997-L1004 HydrophobicContact CG-CD1 3.86Å; I999-L1004 HydrophobicContact CB-CD1 4.48Å; I999-L1004 HydrophobicContact CB-CD2 4.13Å; I999-L1004 HydrophobicContact CB-CG 3.89Å; I999-L1004 HydrophobicContact CD1-CD2 3.78Å; I999-L1004 HydrophobicContact CD1-CG 4.41Å; I999-L1004 HydrophobicContact CG2-CB 4.47Å; I999-L1004 HydrophobicContact CG2-CD2 3.89Å; I999-L1004 HydrophobicContact CG2-CG 3.65Å; G1000-L1004 PolarHBondContact O-N 3.12Å; Y1001-L1004 PolarHBondContact O-N 3.39Å; L1004-R1008 WeakPolarHBondContact O-CB 3.39Å; L1004-R1008 VanDerWaalsContact O-CG 3.31Å; L1004-R1008 WeakPolarHBondContact O-CG 3.32Å; L1004-R1008 PolarHBondContact O-N 2.9Å; L1004-R1008 VanDerWaalsContact O-N 3.16Å |
| 1005 | K | 61.7 | Low | 55.9 | Low | 85 Ų | 85 | 73.3 Ų | 73.3 | 37% | 0.37 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66 | -50.5 | 175 | -178 | 179.1 | 167 | 173.3 | 0 | 109.9 | Y1001 T1003 I1007 R1008 E1009 | Y1001-K1005 HydrophobicContact CD2-CB 4.42Å; Y1001-K1005 HydrophobicContact CE1-CB 4.22Å; Y1001-K1005 HydrophobicContact CE1-CD 3.95Å; Y1001-K1005 HydrophobicContact CE2-CB 4.01Å; Y1001-K1005 WeakPolarHBondContact O-CA 3.48Å; Y1001-K1005 WeakPolarHBondContact O-CB 3.49Å; Y1001-K1005 PolarHBondContact O-N 3Å; T1003-K1005 VanDerWaalsContact C-N 3.27Å; T1003-K1005 PolarHBondContact O-N 3.43Å; K1005-I1007 PolarHBondContact O-N 3.48Å; K1005-R1008 CarbonylContact O-C 3.23Å; K1005-R1008 WeakPolarHBondContact O-CA 3.27Å; K1005-R1008 PolarHBondContact O-N 2.86Å; K1005-E1009 WeakPolarHBondContact CE-OE1 3.46Å; K1005-E1009 WeakPolarHBondContact CE-OE2 3.46Å; K1005-E1009 HydrophobicContact CG-CG 4.41Å; K1005-E1009 WeakPolarHBondContact CG-OE2 3.46Å; K1005-E1009 IonicContact NZ-OE1 3.71Å; K1005-E1009 PolarHBondContact NZ-OE1 3.13Å; K1005-E1009 VanDerWaalsContact NZ-OE1 3.16Å; K1005-E1009 IonicContact NZ-OE2 2.74Å; K1005-E1009 WeakPolarHBondContact O-CG 3.47Å; K1005-E1009 PolarHBondContact O-N 3.38Å |
| 1006 | K | 63.6 | Low | 58.2 | Low | 100 Ų | 100 | 70.5 Ų | 70.5 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.5 | -47.4 | 177.3 | -167.2 | -176.1 | 178 | -167.7 | 0 | 111.5 | Q1002 T1003 R1008 E1009 M1010 E1054 | Q1002-K1006 WeakPolarHBondContact O-CB 3.47Å; Q1002-K1006 PolarHBondContact O-N 3.46Å; T1003-K1006 PolarHBondContact O-N 3.06Å; K1006-R1008 PolarHBondContact O-N 3.26Å; K1006-E1009 CarbonylContact O-C 3.51Å; K1006-E1009 WeakPolarHBondContact O-CA 3.49Å; K1006-E1009 PolarHBondContact O-N 3.07Å; K1006-M1010 WeakPolarHBondContact O-CG 3.21Å; K1006-M1010 PolarHBondContact O-N 3.41Å; K1006-E1054 VanDerWaalsContact CE-OE1 3.31Å; K1006-E1054 WeakPolarHBondContact CE-OE1 3.4Å; K1006-E1054 IonicContact NZ-OE1 2.76Å; K1006-E1054 PolarHBondContact NZ-OE1 2.84Å |
| 1007 | I | 63 | Low | 60.3 | Low | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57 | -37.4 | 176 | -64.5 | 155.6 | 0 | 0 | 0 | 111.9 | I999 T1003 K1005 E1009 L1020 P1058 I1062 | I999-I1007 HydrophobicContact CG2-CD1 4.27Å; T1003-I1007 HydrophobicContact CG2-CD1 4.09Å; T1003-I1007 WeakPolarHBondContact O-CD1 3.29Å; T1003-I1007 VanDerWaalsContact O-CG1 3.23Å; T1003-I1007 WeakPolarHBondContact O-CG1 3.45Å; T1003-I1007 PolarHBondContact O-N 3.4Å; K1005-I1007 PolarHBondContact O-N 3.48Å; I1007-E1009 VanDerWaalsContact C-N 3.33Å; I1007-L1020 HydrophobicContact CG2-CB 3.9Å; I1007-P1058 HydrophobicContact CD1-CB 4.03Å; I1007-P1058 HydrophobicContact CG1-CB 4.12Å; I1007-I1062 HydrophobicContact CD1-CD1 4.05Å |
| 1008 | R | 63.8 | Low | 62.7 | Low | 102 Ų | 102 | 69.3 Ų | 69.3 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -78.8 | -12.4 | 176.6 | -71.5 | 175.2 | 178.8 | -179.4 | 1 | 114.2 | S215 L1004 K1005 K1006 | S215-R1008 PolarHBondContact OG-NH2 3.1Å; L1004-R1008 WeakPolarHBondContact O-CB 3.39Å; L1004-R1008 VanDerWaalsContact O-CG 3.31Å; L1004-R1008 WeakPolarHBondContact O-CG 3.32Å; L1004-R1008 PolarHBondContact O-N 2.9Å; L1004-R1008 VanDerWaalsContact O-N 3.16Å; K1005-R1008 CarbonylContact O-C 3.23Å; K1005-R1008 WeakPolarHBondContact O-CA 3.27Å; K1005-R1008 PolarHBondContact O-N 2.86Å; K1006-R1008 PolarHBondContact O-N 3.26Å |
| 1009 | E | 63 | Low | 64.6 | Low | 126 Ų | 126 | 66.3 Ų | 66.3 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -104.1 | -3.7 | 175.6 | -70.6 | 178 | 145.9 | 0 | 0 | 112.7 | K1005 K1006 I1007 | K1005-E1009 WeakPolarHBondContact CE-OE1 3.46Å; K1005-E1009 WeakPolarHBondContact CE-OE2 3.46Å; K1005-E1009 HydrophobicContact CG-CG 4.41Å; K1005-E1009 WeakPolarHBondContact CG-OE2 3.46Å; K1005-E1009 IonicContact NZ-OE1 3.71Å; K1005-E1009 PolarHBondContact NZ-OE1 3.13Å; K1005-E1009 VanDerWaalsContact NZ-OE1 3.16Å; K1005-E1009 IonicContact NZ-OE2 2.74Å; K1005-E1009 WeakPolarHBondContact O-CG 3.47Å; K1005-E1009 PolarHBondContact O-N 3.38Å; K1006-E1009 CarbonylContact O-C 3.51Å; K1006-E1009 WeakPolarHBondContact O-CA 3.49Å; K1006-E1009 PolarHBondContact O-N 3.07Å; I1007-E1009 VanDerWaalsContact C-N 3.33Å |
| 1010 | M | 63.2 | Low | 66.2 | Low | 23 Ų | 23 | 66.3 Ų | 66.3 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -71 | 142.3 | 174.9 | -76.6 | 169 | 86.8 | 0 | 0 | 111 | K1006 E1054 Y1055 | K1006-M1010 WeakPolarHBondContact O-CG 3.21Å; K1006-M1010 PolarHBondContact O-N 3.41Å; M1010-E1054 HydrophobicContact CE-CG 4.2Å; M1010-Y1055 HydrophobicContact CE-CD1 3.92Å; M1010-Y1055 HydrophobicContact CE-CE1 3.41Å; M1010-Y1055 VanDerWaalsContact CE-CE1 3.41Å |
| 1011 | P | 56.4 | Low | 67.8 | Low | 73 Ų | 73 | 68.6 Ų | 68.6 | 47% | 0.474 | 33% | 0.334 | S | S | . | . | trans | -63.7 | 140.8 | -179.2 | 26.4 | -34.2 | 0 | 0 | 0 | 111.2 | E1013 S1017 | P1011-E1013 PolarHBondContact O-N 3.07Å; P1011-S1017 VanDerWaalsContact O-CB 3.28Å; P1011-S1017 WeakPolarHBondContact O-CB 3.13Å; P1011-S1017 PolarHBondContact O-OG 3.21Å | ||
| 1012 | P | 57.5 | Low | 69.4 | Low | 100 Ų | 100 | 66.1 Ų | 66.1 | 65% | 0.649 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -3 | -175.3 | 32.9 | -37.3 | 0 | 0 | 0 | 114.2 | D1014 | P1012-D1014 VanDerWaalsContact C-N 3.31Å; P1012-D1014 PolarHBondContact O-N 3.42Å |
| 1013 | E | 56.8 | Low | 70.7 | Confident | 171 Ų | 171 | 58.2 Ų | 58.2 | 80% | 0.799 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -29.6 | -179.7 | -50.4 | -60.7 | 139.6 | 0 | 0 | 112.6 | P1011 | P1011-E1013 PolarHBondContact O-N 3.07Š|
| 1014 | D | 73.5 | Confident | 71.7 | Confident | 75 Ų | 75 | 56.7 Ų | 56.7 | 40% | 0.401 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -85 | 128.1 | -176.2 | -82.4 | -59.7 | 0 | 0 | 0 | 112.7 | P1012 M1016 S1017 E1018 | P1012-D1014 VanDerWaalsContact C-N 3.31Å; P1012-D1014 PolarHBondContact O-N 3.42Å; D1014-M1016 PolarHBondContact O-N 3.29Å; D1014-M1016 VanDerWaalsContact O-N 3.12Å; D1014-S1017 WeakPolarHBondContact O-CA 3.18Å; D1014-S1017 WeakPolarHBondContact O-CB 3.11Å; D1014-S1017 PolarHBondContact O-N 3.33Å; D1014-E1018 PolarHBondContact O-N 3.07Å |
| 1015 | I | 80.1 | Confident | 72.5 | Confident | 92 Ų | 92 | 58.1 Ų | 58.1 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.7 | -34.8 | 176.3 | -61.9 | 174 | 0 | 0 | 0 | 111.7 | I1019 L1043 | I1015-I1019 HydrophobicContact CG2-CD1 4.03Å; I1015-I1019 VanDerWaalsContact O-CG1 3.26Å; I1015-I1019 WeakPolarHBondContact O-CG1 3.24Å; I1015-I1019 PolarHBondContact O-N 3.27Å; I1015-I1019 VanDerWaalsContact O-N 3.1Å; I1015-L1043 HydrophobicContact CG2-CD1 3.83Å |
| 1016 | M | 83.8 | Confident | 72.8 | Confident | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -77.7 | -29 | 178.9 | -166.2 | 57.4 | -178.6 | 0 | 0 | 112.5 | D1014 I1019 L1020 L1040 I1049 W1052 Y1055 T1059 | D1014-M1016 PolarHBondContact O-N 3.29Å; D1014-M1016 VanDerWaalsContact O-N 3.12Å; M1016-I1019 PolarHBondContact O-N 3.31Å; M1016-I1019 HydrophobicContact SD-CB 4.28Å; M1016-I1019 HydrophobicContact SD-CD1 4.46Å; M1016-I1019 HydrophobicContact SD-CG2 4.16Å; M1016-L1020 HydrophobicContact CE-CD1 4.35Å; M1016-L1020 HydrophobicContact CE-CD2 4.13Å; M1016-L1020 HydrophobicContact CE-CG 4.09Å; M1016-L1020 HydrophobicContact CG-CD1 4.22Å; M1016-L1020 HydrophobicContact CG-CG 4.46Å; M1016-L1020 WeakPolarHBondContact O-CB 3.24Å; M1016-L1020 VanDerWaalsContact O-CG 3.23Å; M1016-L1020 WeakPolarHBondContact O-CG 3.47Å; M1016-L1020 PolarHBondContact O-N 2.92Å; M1016-L1040 HydrophobicContact CE-CD1 3.75Å; M1016-L1040 HydrophobicContact CE-CD2 4.25Å; M1016-L1040 HydrophobicContact SD-CD1 3.79Å; M1016-I1049 HydrophobicContact CE-CD1 4.47Å; M1016-I1049 HydrophobicContact CG-CD1 4.33Å; M1016-I1049 HydrophobicContact SD-CD1 3.73Å; M1016-W1052 HydrophobicContact CE-CH2 4.25Å; M1016-W1052 HydrophobicContact CE-CZ3 4.26Å; M1016-Y1055 HydrophobicContact CB-CD1 3.88Å; M1016-Y1055 HydrophobicContact CB-CD2 4.41Å; M1016-Y1055 HydrophobicContact CB-CE1 3.65Å; M1016-Y1055 HydrophobicContact CB-CE2 4.25Å; M1016-Y1055 HydrophobicContact CB-CG 4.24Å; M1016-Y1055 HydrophobicContact CG-CD1 3.36Å; M1016-Y1055 HydrophobicContact CG-CD2 4.08Å; M1016-Y1055 HydrophobicContact CG-CE1 3.72Å; M1016-Y1055 HydrophobicContact CG-CE2 4.41Å; M1016-Y1055 HydrophobicContact CG-CG 3.55Å; M1016-T1059 HydrophobicContact CE-CG2 4.23Å; M1016-T1059 WeakPolarHBondContact CE-OG1 3.22Å |
| 1017 | S | 81.1 | Confident | 72.4 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.5 | -43.5 | 170.9 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | P1011 D1014 I1019 L1020 Q1021 | P1011-S1017 VanDerWaalsContact O-CB 3.28Å; P1011-S1017 WeakPolarHBondContact O-CB 3.13Å; P1011-S1017 PolarHBondContact O-OG 3.21Å; D1014-S1017 WeakPolarHBondContact O-CA 3.18Å; D1014-S1017 WeakPolarHBondContact O-CB 3.11Å; D1014-S1017 PolarHBondContact O-N 3.33Å; S1017-I1019 PolarHBondContact O-N 3.02Å; S1017-L1020 PolarHBondContact O-N 3.26Å; S1017-Q1021 WeakPolarHBondContact O-CB 3.48Å; S1017-Q1021 PolarHBondContact O-N 2.88Å |
| 1018 | E | 82.2 | Confident | 72.3 | Confident | 93 Ų | 93 | 60.1 Ų | 60.1 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56 | -49.8 | 171.5 | -179 | -151.1 | -161.6 | 0 | 0 | 111.2 | D1014 Q1021 E1022 K1039 | D1014-E1018 PolarHBondContact O-N 3.07Å; E1018-Q1021 PolarHBondContact O-N 3.37Å; E1018-E1022 PolarHBondContact O-N 3.4Å; E1018-K1039 IonicContact OE1-NZ 2.71Å; E1018-K1039 IonicContact OE2-NZ 2.58Å; E1018-K1039 PolarHBondContact OE2-NZ 3.42Å |
| 1019 | I | 84.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -50.2 | 178.1 | -72.6 | 169 | 0 | 0 | 0 | 111.1 | I1015 M1016 S1017 Q1021 E1022 L1023 C1036 K1039 L1040 L1043 | I1015-I1019 HydrophobicContact CG2-CD1 4.03Å; I1015-I1019 VanDerWaalsContact O-CG1 3.26Å; I1015-I1019 WeakPolarHBondContact O-CG1 3.24Å; I1015-I1019 PolarHBondContact O-N 3.27Å; I1015-I1019 VanDerWaalsContact O-N 3.1Å; M1016-I1019 PolarHBondContact O-N 3.31Å; M1016-I1019 HydrophobicContact SD-CB 4.28Å; M1016-I1019 HydrophobicContact SD-CD1 4.46Å; M1016-I1019 HydrophobicContact SD-CG2 4.16Å; S1017-I1019 PolarHBondContact O-N 3.02Å; I1019-Q1021 PolarHBondContact O-N 3.07Å; I1019-E1022 PolarHBondContact O-N 2.92Å; I1019-L1023 HydrophobicContact CG2-CD1 3.56Å; I1019-L1023 HydrophobicContact CG2-CG 4.1Å; I1019-L1023 VanDerWaalsContact O-CB 3.31Å; I1019-L1023 WeakPolarHBondContact O-CB 3.19Å; I1019-L1023 WeakPolarHBondContact O-CG 3.49Å; I1019-L1023 PolarHBondContact O-N 3.01Å; I1019-C1036 HydrophobicContact CG2-CB 4.46Å; I1019-K1039 HydrophobicContact CD1-CB 4.32Å; I1019-K1039 HydrophobicContact CD1-CD 3.9Å; I1019-K1039 HydrophobicContact CD1-CG 3.93Å; I1019-K1039 HydrophobicContact CG1-CD 4.08Å; I1019-L1040 HydrophobicContact CG2-CB 4.29Å; I1019-L1040 HydrophobicContact CG2-CD2 4.18Å; I1019-L1043 HydrophobicContact CD1-CD1 3.45Å; I1019-L1043 VanDerWaalsContact CD1-CD1 3.45Å |
| 1020 | L | 84.7 | Confident | 73.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65 | -39.4 | -178.8 | -72.3 | 170.8 | 0 | 0 | 0 | 112.4 | I1007 M1016 S1017 S1024 Y1055 P1058 I1062 | I1007-L1020 HydrophobicContact CG2-CB 3.9Å; M1016-L1020 HydrophobicContact CE-CD1 4.35Å; M1016-L1020 HydrophobicContact CE-CD2 4.13Å; M1016-L1020 HydrophobicContact CE-CG 4.09Å; M1016-L1020 HydrophobicContact CG-CD1 4.22Å; M1016-L1020 HydrophobicContact CG-CG 4.46Å; M1016-L1020 WeakPolarHBondContact O-CB 3.24Å; M1016-L1020 VanDerWaalsContact O-CG 3.23Å; M1016-L1020 WeakPolarHBondContact O-CG 3.47Å; M1016-L1020 PolarHBondContact O-N 2.92Å; S1017-L1020 PolarHBondContact O-N 3.26Å; L1020-S1024 WeakPolarHBondContact O-CB 3.41Å; L1020-S1024 PolarHBondContact O-N 3.4Å; L1020-Y1055 HydrophobicContact CD1-CD1 3.68Å; L1020-Y1055 HydrophobicContact CD1-CE1 4.43Å; L1020-P1058 HydrophobicContact CD1-CB 3.94Å; L1020-P1058 HydrophobicContact CD2-CB 4.01Å; L1020-I1062 HydrophobicContact CB-CD1 4.4Å; L1020-I1062 HydrophobicContact CD2-CD1 3.51Å |
| 1021 | Q | 81.2 | Confident | 74.4 | Confident | 85 Ų | 85 | 64.7 Ų | 64.7 | 40% | 0.397 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.6 | -48 | 176.1 | -172.9 | 177.2 | 102.4 | 0 | 0 | 110.6 | S1017 E1018 I1019 S1024 N1025 | S1017-Q1021 WeakPolarHBondContact O-CB 3.48Å; S1017-Q1021 PolarHBondContact O-N 2.88Å; E1018-Q1021 PolarHBondContact O-N 3.37Å; I1019-Q1021 PolarHBondContact O-N 3.07Å; Q1021-S1024 PolarHBondContact O-N 3.45Å; Q1021-S1024 PolarHBondContact O-OG 2.95Å; Q1021-N1025 PolarHBondContact O-ND2 2.91Å |
| 1022 | E | 83.1 | Confident | 75.7 | Confident | 23 Ų | 23 | 65.6 Ų | 65.6 | 11% | 0.107 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.5 | -36.3 | -178.9 | -170 | 66 | 165.5 | 0 | 0 | 113.3 | E1018 I1019 S1024 N1025 R1029 Q1032 R1033 | E1018-E1022 PolarHBondContact O-N 3.4Å; I1019-E1022 PolarHBondContact O-N 2.92Å; E1022-S1024 PolarHBondContact O-N 3.48Å; E1022-N1025 WeakPolarHBondContact O-CB 3.32Å; E1022-N1025 PolarHBondContact O-N 3.43Å; E1022-N1025 VanDerWaalsContact O-N 3.1Å; E1022-N1025 PolarHBondContact OE2-ND2 3.11Å; E1022-R1029 WeakPolarHBondContact OE1-CD 3.15Å; E1022-R1029 IonicContact OE1-CZ 3.81Å; E1022-R1029 IonicContact OE1-NE 2.78Å; E1022-R1029 IonicContact OE1-NH1 2.68Å; E1022-R1029 PolarHBondContact OE1-NH1 3.3Å; E1022-R1029 IonicContact OE2-CZ 2.86Å; E1022-R1029 IonicContact OE2-NH1 2.72Å; E1022-R1029 PolarHBondContact OE2-NH1 3.46Å; E1022-Q1032 HydrophobicContact CG-CB 3.95Å; E1022-Q1032 WeakPolarHBondContact OE1-CB 3.32Å; E1022-Q1032 WeakPolarHBondContact OE1-CG 3.4Å; E1022-R1033 VanDerWaalsContact O-CG 3.28Å; E1022-R1033 WeakPolarHBondContact O-CG 3.39Å |
| 1023 | L | 83.8 | Confident | 77.1 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.5 | -31.2 | 172.8 | -68.7 | 178.3 | 0 | 0 | 0 | 112.2 | I1019 N1025 R1033 C1036 M1037 L1040 I1062 | I1019-L1023 HydrophobicContact CG2-CD1 3.56Å; I1019-L1023 HydrophobicContact CG2-CG 4.1Å; I1019-L1023 VanDerWaalsContact O-CB 3.31Å; I1019-L1023 WeakPolarHBondContact O-CB 3.19Å; I1019-L1023 WeakPolarHBondContact O-CG 3.49Å; I1019-L1023 PolarHBondContact O-N 3.01Å; L1023-N1025 VanDerWaalsContact C-N 3.26Å; L1023-N1025 PolarHBondContact O-N 3.5Å; L1023-R1033 HydrophobicContact CD2-CB 4.42Å; L1023-R1033 PolarHBondContact O-NE 3.14Å; L1023-C1036 HydrophobicContact CD2-CB 3.78Å; L1023-C1036 HydrophobicContact CG-CB 4.05Å; L1023-M1037 HydrophobicContact CD2-CE 3.64Å; L1023-M1037 HydrophobicContact CD2-CG 3.58Å; L1023-L1040 HydrophobicContact CD1-CD2 4.09Å; L1023-I1062 HydrophobicContact CB-CG2 3.76Å |
| 1024 | S | 80.5 | Confident | 78.6 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -8.7 | 175.9 | 83.2 | 0 | 0 | 0 | 0 | 114.9 | L1020 Q1021 E1022 H1026 | L1020-S1024 WeakPolarHBondContact O-CB 3.41Å; L1020-S1024 PolarHBondContact O-N 3.4Å; Q1021-S1024 PolarHBondContact O-N 3.45Å; Q1021-S1024 PolarHBondContact O-OG 2.95Å; E1022-S1024 PolarHBondContact O-N 3.48Å; S1024-H1026 VanDerWaalsContact C-N 3.28Å; S1024-H1026 PolarHBondContact O-CD2 3.27Å; S1024-H1026 PolarHBondContact O-N 3.3Å |
| 1025 | N | 75.1 | Confident | 79.3 | Confident | 51 Ų | 51 | 55.9 Ų | 55.9 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | trans | -81.1 | 69.8 | 180 | -75.2 | -36.6 | 0 | 0 | 0 | 111.7 | Q1021 E1022 L1023 N1027 R1033 | Q1021-N1025 PolarHBondContact O-ND2 2.91Å; E1022-N1025 WeakPolarHBondContact O-CB 3.32Å; E1022-N1025 PolarHBondContact O-N 3.43Å; E1022-N1025 VanDerWaalsContact O-N 3.1Å; E1022-N1025 PolarHBondContact OE2-ND2 3.11Å; L1023-N1025 VanDerWaalsContact C-N 3.26Å; L1023-N1025 PolarHBondContact O-N 3.5Å; N1025-N1027 PolarHBondContact O-N 3.23Å; N1025-R1033 VanDerWaalsContact O-CD 3.31Å; N1025-R1033 WeakPolarHBondContact O-CD 3.43Å | ||
| 1026 | H | 67.1 | Low | 79.8 | Confident | 21 Ų | 21 | 52.1 Ų | 52.1 | 10% | 0.097 | 24% | 0.243 | C | C | . | . | trans | -67.4 | 34 | -177.6 | -68.2 | -86.3 | 0 | 0 | 0 | 115.6 | K996 S1024 R1033 E1065 D1069 | K996-H1026 HydrophobicContact CD-CB 3.99Å; K996-H1026 PolarHBondContact NZ-O 3.1Å; S1024-H1026 VanDerWaalsContact C-N 3.28Å; S1024-H1026 PolarHBondContact O-CD2 3.27Å; S1024-H1026 PolarHBondContact O-N 3.3Å; H1026-R1033 PolarHBondContact CE1-NH2 2.69Å; H1026-R1033 PolarHBondContact ND1-NH2 3.12Å; H1026-E1065 IonicContact CD2-OE1 2.62Å; H1026-E1065 IonicContact CE1-OE1 2.95Å; H1026-E1065 IonicContact NE2-OE1 3.39Å; H1026-D1069 IonicContact ND1-OD1 2.69Å; H1026-D1069 IonicContact ND1-OD2 3.36Å | ||
| 1027 | N | 56.6 | Low | 80.2 | Confident | 51 Ų | 51 | 51.7 Ų | 51.7 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -150.3 | 137 | 170 | -84.6 | -39 | 0 | 0 | 0 | 110.6 | D219 R223 K996 N1025 R1029 | D219-N1027 PolarHBondContact OD2-ND2 2.87Å; R223-N1027 PolarHBondContact NH2-OD1 2.91Å; K996-N1027 PolarHBondContact NZ-OD1 2.97Å; N1025-N1027 PolarHBondContact O-N 3.23Å; N1027-R1029 PolarHBondContact O-N 3.32Å |
| 1028 | E | 60.2 | Low | 80.7 | Confident | 158 Ų | 158 | 56.2 Ų | 56.2 | 74% | 0.738 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 62.9 | -25.6 | 166.9 | -60.2 | 177.4 | 166.1 | 0 | 0 | 118.2 | Y1030 | E1028-Y1030 PolarHBondContact O-N 2.94Š|
| 1029 | R | 73.2 | Confident | 81.1 | Confident | 127 Ų | 127 | 55.4 Ų | 55.4 | 48% | 0.479 | 26% | 0.259 | S | S | . | . | trans | -91.6 | 58.2 | -178.9 | -64.9 | -160.4 | -176 | 180 | -0.6 | 115.1 | E1022 N1027 Q1032 R1033 | E1022-R1029 WeakPolarHBondContact OE1-CD 3.15Å; E1022-R1029 IonicContact OE1-CZ 3.81Å; E1022-R1029 IonicContact OE1-NE 2.78Å; E1022-R1029 IonicContact OE1-NH1 2.68Å; E1022-R1029 PolarHBondContact OE1-NH1 3.3Å; E1022-R1029 IonicContact OE2-CZ 2.86Å; E1022-R1029 IonicContact OE2-NH1 2.72Å; E1022-R1029 PolarHBondContact OE2-NH1 3.46Å; N1027-R1029 PolarHBondContact O-N 3.32Å; R1029-Q1032 HydrophobicContact CB-CB 4.27Å; R1029-R1033 WeakPolarHBondContact O-CG 3.32Å; R1029-R1033 PolarHBondContact O-N 3.23Å; R1029-R1033 VanDerWaalsContact O-N 3.17Å | ||
| 1030 | Y | 76.7 | Confident | 81.4 | Confident | 148 Ų | 148 | 55.4 Ų | 55.4 | 58% | 0.58 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -69.4 | -45 | -173.3 | 73.7 | -78.5 | 0 | 0 | 0 | 113.9 | E1028 Q1032 R1033 K1034 | E1028-Y1030 PolarHBondContact O-N 2.94Å; Y1030-Q1032 PolarHBondContact O-N 3.34Å; Y1030-R1033 PolarHBondContact O-N 3.31Å; Y1030-K1034 VanDerWaalsContact O-CB 3.31Å; Y1030-K1034 WeakPolarHBondContact O-CB 3.21Å; Y1030-K1034 PolarHBondContact O-N 2.92Å |
| 1031 | E | 83.2 | Confident | 81.8 | Confident | 71 Ų | 71 | 56.3 Ų | 56.3 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.5 | -33.5 | 178.1 | -75 | -57.9 | 156.1 | 0 | 0 | 112.7 | K1034 T1035 | E1031-K1034 PolarHBondContact O-N 3.47Å; E1031-K1034 IonicContact OE1-NZ 2.66Å; E1031-K1034 PolarHBondContact OE1-NZ 2.88Å; E1031-K1034 WeakPolarHBondContact OE2-CD 3.15Å; E1031-K1034 VanDerWaalsContact OE2-CE 3.29Å; E1031-K1034 WeakPolarHBondContact OE2-CE 3.44Å; E1031-K1034 IonicContact OE2-NZ 3.72Å; E1031-K1034 PolarHBondContact OE2-NZ 2.97Å; E1031-T1035 WeakPolarHBondContact O-CB 3.17Å; E1031-T1035 PolarHBondContact O-N 3.06Å; E1031-T1035 PolarHBondContact O-OG1 3.32Å |
| 1032 | Q | 84.4 | Confident | 82.2 | Confident | 92 Ų | 92 | 58.4 Ų | 58.4 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.2 | -47.3 | 175.6 | -64.8 | 73.8 | 15.3 | 0 | 0 | 110.5 | E1022 R1029 Y1030 K1034 T1035 C1036 | E1022-Q1032 HydrophobicContact CG-CB 3.95Å; E1022-Q1032 WeakPolarHBondContact OE1-CB 3.32Å; E1022-Q1032 WeakPolarHBondContact OE1-CG 3.4Å; R1029-Q1032 HydrophobicContact CB-CB 4.27Å; Y1030-Q1032 PolarHBondContact O-N 3.34Å; Q1032-K1034 VanDerWaalsContact C-N 3.32Å; Q1032-K1034 PolarHBondContact O-N 3.49Å; Q1032-T1035 CarbonylContact O-C 3.58Å; Q1032-T1035 WeakPolarHBondContact O-CA 3.47Å; Q1032-T1035 WeakPolarHBondContact O-CB 3.15Å; Q1032-T1035 PolarHBondContact O-N 2.91Å; Q1032-T1035 VanDerWaalsContact O-N 3.1Å; Q1032-C1036 PolarHBondContact O-N 3.42Å; Q1032-C1036 PolarHBondContact O-SG 3.47Å |
| 1033 | R | 86.4 | Confident | 82.5 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 5% | 0.045 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 175.6 | -72.7 | -179.6 | 64.7 | -125.1 | 1.6 | 112.1 | E1022 L1023 N1025 H1026 R1029 Y1030 C1036 M1037 T1066 D1069 | E1022-R1033 VanDerWaalsContact O-CG 3.28Å; E1022-R1033 WeakPolarHBondContact O-CG 3.39Å; L1023-R1033 HydrophobicContact CD2-CB 4.42Å; L1023-R1033 PolarHBondContact O-NE 3.14Å; N1025-R1033 VanDerWaalsContact O-CD 3.31Å; N1025-R1033 WeakPolarHBondContact O-CD 3.43Å; H1026-R1033 PolarHBondContact CE1-NH2 2.69Å; H1026-R1033 PolarHBondContact ND1-NH2 3.12Å; R1029-R1033 WeakPolarHBondContact O-CG 3.32Å; R1029-R1033 PolarHBondContact O-N 3.23Å; R1029-R1033 VanDerWaalsContact O-N 3.17Å; Y1030-R1033 PolarHBondContact O-N 3.31Å; R1033-C1036 PolarHBondContact O-N 2.86Å; R1033-M1037 HydrophobicContact CB-CE 4.23Å; R1033-M1037 VanDerWaalsContact O-CG 3.29Å; R1033-M1037 WeakPolarHBondContact O-CG 3.48Å; R1033-M1037 PolarHBondContact O-N 2.91Å; R1033-T1066 PolarHBondContact NH2-OG1 2.62Å; R1033-D1069 IonicContact CZ-OD2 3.2Å; R1033-D1069 VanDerWaalsContact CZ-OD2 3.23Å; R1033-D1069 IonicContact NH1-OD2 2.8Å; R1033-D1069 PolarHBondContact NH1-OD2 3.3Å; R1033-D1069 IonicContact NH2-OD2 3.17Å; R1033-D1069 PolarHBondContact NH2-OD2 3.08Å |
| 1034 | K | 88.2 | Confident | 82.7 | Confident | 48 Ų | 48 | 59 Ų | 59 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 171.8 | 174.7 | 169.7 | 157 | -170.1 | 0 | 112.1 | Y1030 E1031 Q1032 M1037 L1038 E1073 L1077 | Y1030-K1034 VanDerWaalsContact O-CB 3.31Å; Y1030-K1034 WeakPolarHBondContact O-CB 3.21Å; Y1030-K1034 PolarHBondContact O-N 2.92Å; E1031-K1034 PolarHBondContact O-N 3.47Å; E1031-K1034 IonicContact OE1-NZ 2.66Å; E1031-K1034 PolarHBondContact OE1-NZ 2.88Å; E1031-K1034 WeakPolarHBondContact OE2-CD 3.15Å; E1031-K1034 VanDerWaalsContact OE2-CE 3.29Å; E1031-K1034 WeakPolarHBondContact OE2-CE 3.44Å; E1031-K1034 IonicContact OE2-NZ 3.72Å; E1031-K1034 PolarHBondContact OE2-NZ 2.97Å; Q1032-K1034 VanDerWaalsContact C-N 3.32Å; Q1032-K1034 PolarHBondContact O-N 3.49Å; K1034-M1037 PolarHBondContact O-N 3.5Å; K1034-L1038 WeakPolarHBondContact O-CG 3.27Å; K1034-L1038 PolarHBondContact O-N 3.36Å; K1034-E1073 WeakPolarHBondContact CE-OE2 3.25Å; K1034-E1073 IonicContact NZ-OE2 3.61Å; K1034-E1073 PolarHBondContact NZ-OE2 3.16Å; K1034-L1077 HydrophobicContact CB-CD2 4.27Å; K1034-L1077 HydrophobicContact CG-CD2 3.96Å; K1034-L1077 WeakPolarHBondContact O-CD2 3.46Å |
| 1035 | T | 89.1 | Confident | 83.2 | Confident | 83 Ų | 83 | 66.5 Ų | 66.5 | 51% | 0.509 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 174.5 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | E1031 Q1032 L1038 K1039 | E1031-T1035 WeakPolarHBondContact O-CB 3.17Å; E1031-T1035 PolarHBondContact O-N 3.06Å; E1031-T1035 PolarHBondContact O-OG1 3.32Å; Q1032-T1035 CarbonylContact O-C 3.58Å; Q1032-T1035 WeakPolarHBondContact O-CA 3.47Å; Q1032-T1035 WeakPolarHBondContact O-CB 3.15Å; Q1032-T1035 PolarHBondContact O-N 2.91Å; Q1032-T1035 VanDerWaalsContact O-N 3.1Å; T1035-L1038 PolarHBondContact O-N 3.19Å; T1035-K1039 WeakPolarHBondContact O-CB 3.28Å; T1035-K1039 PolarHBondContact O-N 3.12Å |
| 1036 | C | 90.2 | Very high | 83.7 | Confident | 12 Ų | 12 | 68.5 Ų | 68.5 | 8% | 0.081 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 177.1 | -67.3 | 0 | 0 | 0 | 0 | 112.8 | I1019 L1023 Q1032 R1033 K1039 L1040 | I1019-C1036 HydrophobicContact CG2-CB 4.46Å; L1023-C1036 HydrophobicContact CD2-CB 3.78Å; L1023-C1036 HydrophobicContact CG-CB 4.05Å; Q1032-C1036 PolarHBondContact O-N 3.42Å; Q1032-C1036 PolarHBondContact O-SG 3.47Å; R1033-C1036 PolarHBondContact O-N 2.86Å; C1036-K1039 PolarHBondContact O-N 3.07Å; C1036-L1040 VanDerWaalsContact O-CB 3.3Å; C1036-L1040 WeakPolarHBondContact O-CB 3.28Å; C1036-L1040 PolarHBondContact O-N 2.86Å |
| 1037 | M | 91.9 | Very high | 84.4 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 173 | -68.9 | 170.2 | -157.6 | 0 | 0 | 112.1 | L1023 R1033 K1034 L1040 I1041 T1066 T1074 L1077 A1078 V1081 | L1023-M1037 HydrophobicContact CD2-CE 3.64Å; L1023-M1037 HydrophobicContact CD2-CG 3.58Å; R1033-M1037 HydrophobicContact CB-CE 4.23Å; R1033-M1037 VanDerWaalsContact O-CG 3.29Å; R1033-M1037 WeakPolarHBondContact O-CG 3.48Å; R1033-M1037 PolarHBondContact O-N 2.91Å; K1034-M1037 PolarHBondContact O-N 3.5Å; M1037-L1040 PolarHBondContact O-N 2.82Å; M1037-I1041 WeakPolarHBondContact O-CG1 3.15Å; M1037-I1041 PolarHBondContact O-N 3.36Å; M1037-T1066 HydrophobicContact CE-CG2 3.71Å; M1037-T1074 HydrophobicContact CE-CG2 3.75Å; M1037-T1074 HydrophobicContact SD-CG2 4.27Å; M1037-L1077 HydrophobicContact CB-CD2 3.61Å; M1037-L1077 HydrophobicContact CB-CG 3.72Å; M1037-L1077 HydrophobicContact CG-CD2 4.43Å; M1037-L1077 HydrophobicContact CG-CG 4.48Å; M1037-L1077 HydrophobicContact SD-CB 4.19Å; M1037-L1077 HydrophobicContact SD-CD2 4.06Å; M1037-L1077 HydrophobicContact SD-CG 4.06Å; M1037-A1078 HydrophobicContact SD-CB 4.46Å; M1037-V1081 HydrophobicContact CB-CG2 3.75Å; M1037-V1081 HydrophobicContact CG-CG2 4.02Å |
| 1038 | L | 92.2 | Very high | 85.5 | Confident | 97 Ų | 97 | 72.1 Ų | 72.1 | 51% | 0.508 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 173.1 | -70.7 | 168.5 | 0 | 0 | 0 | 111.7 | K1034 T1035 L1040 I1041 K1042 L1077 | K1034-L1038 WeakPolarHBondContact O-CG 3.27Å; K1034-L1038 PolarHBondContact O-N 3.36Å; T1035-L1038 PolarHBondContact O-N 3.19Å; L1038-L1040 VanDerWaalsContact C-N 3.34Å; L1038-I1041 PolarHBondContact O-N 2.94Å; L1038-K1042 PolarHBondContact O-N 2.91Å; L1038-L1077 HydrophobicContact CD2-CD1 3.97Å; L1038-L1077 HydrophobicContact CG-CD1 4.42Å; L1038-L1077 HydrophobicContact CG-CD2 4.22Å |
| 1039 | K | 90.4 | Very high | 86.4 | Confident | 77 Ų | 77 | 65.7 Ų | 65.7 | 34% | 0.335 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 172.7 | -167.9 | 177.8 | -178.3 | 178.6 | 0 | 111.1 | E1018 I1019 T1035 C1036 K1042 L1043 | E1018-K1039 IonicContact OE1-NZ 2.71Å; E1018-K1039 IonicContact OE2-NZ 2.58Å; E1018-K1039 PolarHBondContact OE2-NZ 3.42Å; I1019-K1039 HydrophobicContact CD1-CB 4.32Å; I1019-K1039 HydrophobicContact CD1-CD 3.9Å; I1019-K1039 HydrophobicContact CD1-CG 3.93Å; I1019-K1039 HydrophobicContact CG1-CD 4.08Å; T1035-K1039 WeakPolarHBondContact O-CB 3.28Å; T1035-K1039 PolarHBondContact O-N 3.12Å; C1036-K1039 PolarHBondContact O-N 3.07Å; K1039-K1042 PolarHBondContact O-N 3.1Å; K1039-L1043 HydrophobicContact CG-CD1 4.33Å; K1039-L1043 WeakPolarHBondContact O-CG 3.43Å; K1039-L1043 PolarHBondContact O-N 3.39Å |
| 1040 | L | 91.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 178.2 | -175.4 | 53.2 | 0 | 0 | 0 | 113 | M1016 I1019 L1023 C1036 M1037 L1038 K1042 L1043 L1044 I1049 W1052 T1059 V1081 | M1016-L1040 HydrophobicContact CE-CD1 3.75Å; M1016-L1040 HydrophobicContact CE-CD2 4.25Å; M1016-L1040 HydrophobicContact SD-CD1 3.79Å; I1019-L1040 HydrophobicContact CG2-CB 4.29Å; I1019-L1040 HydrophobicContact CG2-CD2 4.18Å; L1023-L1040 HydrophobicContact CD1-CD2 4.09Å; C1036-L1040 VanDerWaalsContact O-CB 3.3Å; C1036-L1040 WeakPolarHBondContact O-CB 3.28Å; C1036-L1040 PolarHBondContact O-N 2.86Å; M1037-L1040 PolarHBondContact O-N 2.82Å; L1038-L1040 VanDerWaalsContact C-N 3.34Å; L1040-K1042 VanDerWaalsContact C-N 3.27Å; L1040-K1042 PolarHBondContact O-N 3.22Å; L1040-L1043 PolarHBondContact O-N 2.88Å; L1040-L1044 HydrophobicContact CD1-CD1 4.49Å; L1040-L1044 HydrophobicContact CG-CD1 4.31Å; L1040-L1044 WeakPolarHBondContact O-CB 3.3Å; L1040-L1044 WeakPolarHBondContact O-CG 3.41Å; L1040-L1044 PolarHBondContact O-N 3.37Å; L1040-I1049 HydrophobicContact CD1-CD1 4.02Å; L1040-W1052 HydrophobicContact CD1-CH2 4.25Å; L1040-T1059 HydrophobicContact CD2-CG2 4Å; L1040-V1081 HydrophobicContact CD2-CG1 3.7Å; L1040-V1081 HydrophobicContact CG-CG1 3.9Å |
| 1041 | I | 91.8 | Very high | 86.6 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 9% | 0.092 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.5 | -41.7 | 170.4 | -77.8 | 161.6 | 0 | 0 | 0 | 110.8 | M1037 L1038 R1045 L1077 R1080 V1081 E1084 | M1037-I1041 WeakPolarHBondContact O-CG1 3.15Å; M1037-I1041 PolarHBondContact O-N 3.36Å; L1038-I1041 PolarHBondContact O-N 2.94Å; I1041-R1045 WeakPolarHBondContact O-CG 3.23Å; I1041-R1045 PolarHBondContact O-N 3.45Å; I1041-R1045 VanDerWaalsContact O-N 3.15Å; I1041-L1077 HydrophobicContact CD1-CD1 3.75Å; I1041-R1080 HydrophobicContact CD1-CB 3.98Å; I1041-V1081 HydrophobicContact CD1-CG2 3.92Å; I1041-V1081 HydrophobicContact CG1-CB 4.38Å; I1041-V1081 HydrophobicContact CG1-CG2 3.88Å; I1041-E1084 HydrophobicContact CG1-CG 4.31Å; I1041-E1084 HydrophobicContact CG2-CG 4.27Å |
| 1042 | K | 90.4 | Very high | 86.6 | Confident | 129 Ų | 129 | 59.3 Ų | 59.3 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.7 | -50.9 | 175 | -178.8 | 170.5 | 176 | 176.8 | 0 | 111.6 | L1038 K1039 L1040 L1044 R1045 D1046 | L1038-K1042 PolarHBondContact O-N 2.91Å; K1039-K1042 PolarHBondContact O-N 3.1Å; L1040-K1042 VanDerWaalsContact C-N 3.27Å; L1040-K1042 PolarHBondContact O-N 3.22Å; K1042-L1044 VanDerWaalsContact C-N 3.25Å; K1042-L1044 PolarHBondContact O-N 3.47Å; K1042-R1045 PolarHBondContact O-N 3.14Å; K1042-R1045 VanDerWaalsContact O-N 3.11Å; K1042-D1046 WeakPolarHBondContact CE-OD2 3.34Å; K1042-D1046 VanDerWaalsContact CG-OD2 3.25Å; K1042-D1046 WeakPolarHBondContact CG-OD2 3.19Å; K1042-D1046 IonicContact NZ-OD2 3.9Å; K1042-D1046 VanDerWaalsContact O-CB 3.3Å; K1042-D1046 WeakPolarHBondContact O-CB 3.41Å; K1042-D1046 VanDerWaalsContact O-CG 3.26Å; K1042-D1046 PolarHBondContact O-N 2.87Å |
| 1043 | L | 89.4 | Confident | 86.3 | Confident | 22 Ų | 22 | 61.5 Ų | 61.5 | 12% | 0.115 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.8 | -31.8 | 179.9 | -69.3 | 167.5 | 0 | 0 | 0 | 113.6 | I1015 I1019 K1039 L1040 G1047 V1048 I1049 | I1015-L1043 HydrophobicContact CG2-CD1 3.83Å; I1019-L1043 HydrophobicContact CD1-CD1 3.45Å; I1019-L1043 VanDerWaalsContact CD1-CD1 3.45Å; K1039-L1043 HydrophobicContact CG-CD1 4.33Å; K1039-L1043 WeakPolarHBondContact O-CG 3.43Å; K1039-L1043 PolarHBondContact O-N 3.39Å; L1040-L1043 PolarHBondContact O-N 2.88Å; L1043-G1047 PolarHBondContact O-N 3.01Å; L1043-V1048 HydrophobicContact CD2-CB 3.81Å; L1043-V1048 HydrophobicContact CD2-CG1 3.93Å; L1043-V1048 HydrophobicContact CD2-CG2 4.04Å; L1043-V1048 PolarHBondContact O-N 3.17Å; L1043-V1048 VanDerWaalsContact O-N 3.11Å; L1043-I1049 HydrophobicContact CB-CD1 4Å; L1043-I1049 HydrophobicContact CB-CG1 4.33Å; L1043-I1049 HydrophobicContact CD1-CD1 4.39Å |
| 1044 | L | 88.9 | Confident | 86 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.3 | -47.3 | 172.1 | -85 | 163.7 | 0 | 0 | 0 | 112.2 | L1040 K1042 G1047 W1052 V1081 E1084 L1085 A1088 | L1040-L1044 HydrophobicContact CD1-CD1 4.49Å; L1040-L1044 HydrophobicContact CG-CD1 4.31Å; L1040-L1044 WeakPolarHBondContact O-CB 3.3Å; L1040-L1044 WeakPolarHBondContact O-CG 3.41Å; L1040-L1044 PolarHBondContact O-N 3.37Å; K1042-L1044 VanDerWaalsContact C-N 3.25Å; K1042-L1044 PolarHBondContact O-N 3.47Å; L1044-G1047 PolarHBondContact O-N 2.72Å; L1044-W1052 HydrophobicContact CD2-CH2 3.86Å; L1044-W1052 HydrophobicContact CD2-CZ2 3.41Å; L1044-W1052 VanDerWaalsContact CD2-CZ2 3.41Å; L1044-W1052 HydrophobicContact CG-CH2 4.31Å; L1044-W1052 HydrophobicContact CG-CZ2 4.08Å; L1044-V1081 HydrophobicContact CD1-CG1 4.13Å; L1044-E1084 HydrophobicContact CB-CB 4.44Å; L1044-E1084 HydrophobicContact CD1-CB 4.18Å; L1044-L1085 HydrophobicContact CD1-CB 4.15Å; L1044-L1085 HydrophobicContact CD2-CB 4.45Å; L1044-L1085 HydrophobicContact CD2-CD1 3.78Å; L1044-A1088 HydrophobicContact CD2-CB 4.13Å |
| 1045 | R | 89.4 | Confident | 85.8 | Confident | 164 Ų | 164 | 63.9 Ų | 63.9 | 62% | 0.619 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -71.7 | -36 | 179.8 | -72 | 175.6 | 173.7 | -176.1 | 0.4 | 113.3 | I1041 K1042 G1047 E1084 | I1041-R1045 WeakPolarHBondContact O-CG 3.23Å; I1041-R1045 PolarHBondContact O-N 3.45Å; I1041-R1045 VanDerWaalsContact O-N 3.15Å; K1042-R1045 PolarHBondContact O-N 3.14Å; K1042-R1045 VanDerWaalsContact O-N 3.11Å; R1045-G1047 PolarHBondContact O-N 3.38Å; R1045-E1084 WeakPolarHBondContact CG-OE2 3.42Å; R1045-E1084 IonicContact CZ-OE1 2.87Å; R1045-E1084 IonicContact CZ-OE2 3.3Å; R1045-E1084 IonicContact NE-OE1 3.58Å; R1045-E1084 IonicContact NE-OE2 3.55Å; R1045-E1084 PolarHBondContact NE-OE2 3.35Å; R1045-E1084 IonicContact NH2-OE1 3.66Å; R1045-E1084 PolarHBondContact NH2-OE1 2.98Å; R1045-E1084 IonicContact NH2-OE2 2.78Å; R1045-E1084 PolarHBondContact NH2-OE2 3.05Å |
| 1046 | D | 85.7 | Confident | 85.8 | Confident | 93 Ų | 93 | 60.2 Ų | 60.2 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -5.7 | 177.1 | -66.3 | 4.8 | 0 | 0 | 0 | 112 | K1042 V1048 | K1042-D1046 WeakPolarHBondContact CE-OD2 3.34Å; K1042-D1046 VanDerWaalsContact CG-OD2 3.25Å; K1042-D1046 WeakPolarHBondContact CG-OD2 3.19Å; K1042-D1046 IonicContact NZ-OD2 3.9Å; K1042-D1046 VanDerWaalsContact O-CB 3.3Å; K1042-D1046 WeakPolarHBondContact O-CB 3.41Å; K1042-D1046 VanDerWaalsContact O-CG 3.26Å; K1042-D1046 PolarHBondContact O-N 2.87Å; D1046-V1048 VanDerWaalsContact C-N 3.29Å; D1046-V1048 HydrophobicContact CB-CG2 3.66Å; D1046-V1048 PolarHBondContact O-N 2.97Å |
| 1047 | G | 82.8 | Confident | 85.5 | Confident | 61 Ų | 61 | 64.5 Ų | 64.5 | 63% | 0.629 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 16.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1043 L1044 R1045 I1049 | L1043-G1047 PolarHBondContact O-N 3.01Å; L1044-G1047 PolarHBondContact O-N 2.72Å; R1045-G1047 PolarHBondContact O-N 3.38Å; G1047-I1049 PolarHBondContact O-N 3.31Å |
| 1048 | V | 80.5 | Confident | 85.2 | Confident | 88 Ų | 88 | 65.1 Ų | 65.1 | 53% | 0.533 | 34% | 0.341 | S | S | . | . | trans | -73.9 | -26.8 | -164 | -178 | 0 | 0 | 0 | 0 | 113.5 | L1043 D1046 | L1043-V1048 HydrophobicContact CD2-CB 3.81Å; L1043-V1048 HydrophobicContact CD2-CG1 3.93Å; L1043-V1048 HydrophobicContact CD2-CG2 4.04Å; L1043-V1048 PolarHBondContact O-N 3.17Å; L1043-V1048 VanDerWaalsContact O-N 3.11Å; D1046-V1048 VanDerWaalsContact C-N 3.29Å; D1046-V1048 HydrophobicContact CB-CG2 3.66Å; D1046-V1048 PolarHBondContact O-N 2.97Å | ||
| 1049 | I | 77.2 | Confident | 85.1 | Confident | 23 Ų | 23 | 60.6 Ų | 60.6 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | trans | -91.2 | 108 | -176.3 | -58.7 | 168 | 0 | 0 | 0 | 109.3 | M1016 L1040 L1043 G1047 W1052 Y1055 | M1016-I1049 HydrophobicContact CE-CD1 4.47Å; M1016-I1049 HydrophobicContact CG-CD1 4.33Å; M1016-I1049 HydrophobicContact SD-CD1 3.73Å; L1040-I1049 HydrophobicContact CD1-CD1 4.02Å; L1043-I1049 HydrophobicContact CB-CD1 4Å; L1043-I1049 HydrophobicContact CB-CG1 4.33Å; L1043-I1049 HydrophobicContact CD1-CD1 4.39Å; G1047-I1049 PolarHBondContact O-N 3.31Å; I1049-W1052 HydrophobicContact CB-CZ2 3.91Å; I1049-W1052 HydrophobicContact CD1-CH2 4.09Å; I1049-W1052 HydrophobicContact CD1-CZ2 3.74Å; I1049-W1052 HydrophobicContact CG1-CZ2 4.41Å; I1049-W1052 HydrophobicContact CG2-CD2 4.05Å; I1049-W1052 HydrophobicContact CG2-CG 4.26Å; I1049-W1052 HydrophobicContact CG2-CZ2 3.94Å; I1049-W1052 PolarHBondContact O-NE1 3.42Å; I1049-Y1055 HydrophobicContact CG2-CD2 4.18Å | ||
| 1050 | S | 74.9 | Confident | 85 | Confident | 96 Ų | 96 | 57 Ų | 57 | 67% | 0.671 | 30% | 0.301 | S | S | * | . | trans | -81.6 | -47 | 174.8 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | W1052 | S1050-W1052 VanDerWaalsContact C-N 3.28Å; S1050-W1052 PolarHBondContact O-N 2.88Å | ||
| 1051 | N | 79.1 | Confident | 84.7 | Confident | 105 Ų | 105 | 58.4 Ų | 58.4 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | trans | -87.4 | 54.5 | -163 | -61.6 | 9.6 | 0 | 0 | 0 | 112.8 | D1053 E1054 Y1055 | N1051-D1053 PolarHBondContact O-N 3.2Å; N1051-E1054 PolarHBondContact O-N 3.14Å; N1051-Y1055 HydrophobicContact CB-CE2 4.42Å; N1051-Y1055 VanDerWaalsContact O-CD2 3.27Å; N1051-Y1055 WeakPolarHBondContact O-CD2 3.46Å | ||
| 1052 | W | 84.6 | Confident | 84.4 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -23.4 | -173.4 | -84.3 | 98.3 | 0 | 0 | 0 | 114.9 | M1016 L1040 L1044 I1049 S1050 E1054 Y1055 F1056 T1059 L1085 K1089 L1092 | M1016-W1052 HydrophobicContact CE-CH2 4.25Å; M1016-W1052 HydrophobicContact CE-CZ3 4.26Å; L1040-W1052 HydrophobicContact CD1-CH2 4.25Å; L1044-W1052 HydrophobicContact CD2-CH2 3.86Å; L1044-W1052 HydrophobicContact CD2-CZ2 3.41Å; L1044-W1052 VanDerWaalsContact CD2-CZ2 3.41Å; L1044-W1052 HydrophobicContact CG-CH2 4.31Å; L1044-W1052 HydrophobicContact CG-CZ2 4.08Å; I1049-W1052 HydrophobicContact CB-CZ2 3.91Å; I1049-W1052 HydrophobicContact CD1-CH2 4.09Å; I1049-W1052 HydrophobicContact CD1-CZ2 3.74Å; I1049-W1052 HydrophobicContact CG1-CZ2 4.41Å; I1049-W1052 HydrophobicContact CG2-CD2 4.05Å; I1049-W1052 HydrophobicContact CG2-CG 4.26Å; I1049-W1052 HydrophobicContact CG2-CZ2 3.94Å; I1049-W1052 PolarHBondContact O-NE1 3.42Å; S1050-W1052 VanDerWaalsContact C-N 3.28Å; S1050-W1052 PolarHBondContact O-N 2.88Å; W1052-E1054 PolarHBondContact O-N 3.38Å; W1052-Y1055 PolarHBondContact O-N 3.38Å; W1052-Y1055 VanDerWaalsContact O-N 3.17Å; W1052-F1056 HydrophobicContact CE3-CB 4.16Å; W1052-F1056 WeakPolarHBondContact O-CA 3.01Å; W1052-F1056 WeakPolarHBondContact O-CB 3.29Å; W1052-F1056 PolarHBondContact O-N 2.85Å; W1052-T1059 HydrophobicContact CZ3-CG2 4.33Å; W1052-L1085 HydrophobicContact CE3-CD1 4.1Å; W1052-L1085 HydrophobicContact CH2-CD1 3.76Å; W1052-L1085 HydrophobicContact CZ2-CD1 4.2Å; W1052-L1085 HydrophobicContact CZ3-CD1 3.71Å; W1052-K1089 HydrophobicContact CG-CG 4.45Å; W1052-L1092 HydrophobicContact CB-CD1 3.65Å; W1052-L1092 HydrophobicContact CD2-CD1 4.34Å; W1052-L1092 HydrophobicContact CE3-CD1 4.47Å; W1052-L1092 HydrophobicContact CG-CD1 4Å |
| 1053 | D | 78.6 | Confident | 84.4 | Confident | 138 Ų | 138 | 51.5 Ų | 51.5 | 74% | 0.738 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -57.5 | -34.6 | -178.4 | -56 | -64.3 | 0 | 0 | 0 | 113.6 | N1051 | N1051-D1053 PolarHBondContact O-N 3.2Å |
| 1054 | E | 79.8 | Confident | 84.4 | Confident | 90 Ų | 90 | 50.6 Ų | 50.6 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -82.1 | -40.8 | 176.3 | 178.8 | 147.2 | -130.7 | 0 | 0 | 112.4 | K1006 M1010 N1051 W1052 P1058 | K1006-E1054 VanDerWaalsContact CE-OE1 3.31Å; K1006-E1054 WeakPolarHBondContact CE-OE1 3.4Å; K1006-E1054 IonicContact NZ-OE1 2.76Å; K1006-E1054 PolarHBondContact NZ-OE1 2.84Å; M1010-E1054 HydrophobicContact CE-CG 4.2Å; N1051-E1054 PolarHBondContact O-N 3.14Å; W1052-E1054 PolarHBondContact O-N 3.38Å; E1054-P1058 VanDerWaalsContact O-CD 3.24Å; E1054-P1058 WeakPolarHBondContact O-CD 3.46Å; E1054-P1058 WeakPolarHBondContact O-CG 3.34Å |
| 1055 | Y | 84.2 | Confident | 84.2 | Confident | 20 Ų | 20 | 50 Ų | 50 | 8% | 0.078 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -86.3 | -25.2 | -172.3 | -62.3 | -64 | 0 | 0 | 0 | 114.2 | M1010 M1016 L1020 I1049 N1051 W1052 P1058 T1059 | M1010-Y1055 HydrophobicContact CE-CD1 3.92Å; M1010-Y1055 HydrophobicContact CE-CE1 3.41Å; M1010-Y1055 VanDerWaalsContact CE-CE1 3.41Å; M1016-Y1055 HydrophobicContact CB-CD1 3.88Å; M1016-Y1055 HydrophobicContact CB-CD2 4.41Å; M1016-Y1055 HydrophobicContact CB-CE1 3.65Å; M1016-Y1055 HydrophobicContact CB-CE2 4.25Å; M1016-Y1055 HydrophobicContact CB-CG 4.24Å; M1016-Y1055 HydrophobicContact CG-CD1 3.36Å; M1016-Y1055 HydrophobicContact CG-CD2 4.08Å; M1016-Y1055 HydrophobicContact CG-CE1 3.72Å; M1016-Y1055 HydrophobicContact CG-CE2 4.41Å; M1016-Y1055 HydrophobicContact CG-CG 3.55Å; L1020-Y1055 HydrophobicContact CD1-CD1 3.68Å; L1020-Y1055 HydrophobicContact CD1-CE1 4.43Å; I1049-Y1055 HydrophobicContact CG2-CD2 4.18Å; N1051-Y1055 HydrophobicContact CB-CE2 4.42Å; N1051-Y1055 VanDerWaalsContact O-CD2 3.27Å; N1051-Y1055 WeakPolarHBondContact O-CD2 3.46Å; W1052-Y1055 PolarHBondContact O-N 3.38Å; W1052-Y1055 VanDerWaalsContact O-N 3.17Å; Y1055-P1058 WeakPolarHBondContact O-CD 3.43Å; Y1055-T1059 VanDerWaalsContact O-CB 3.29Å; Y1055-T1059 WeakPolarHBondContact O-CB 3.08Å; Y1055-T1059 PolarHBondContact O-N 3.36Å; Y1055-T1059 PolarHBondContact O-OG1 2.94Å |
| 1056 | F | 88.3 | Confident | 84.1 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.6 | -52.6 | -170.6 | 175.7 | -104 | 0 | 0 | 0 | 112.9 | W1052 T1059 L1060 L1085 L1092 F1093 F1096 | W1052-F1056 HydrophobicContact CE3-CB 4.16Å; W1052-F1056 WeakPolarHBondContact O-CA 3.01Å; W1052-F1056 WeakPolarHBondContact O-CB 3.29Å; W1052-F1056 PolarHBondContact O-N 2.85Å; F1056-T1059 PolarHBondContact O-N 3Å; F1056-T1059 VanDerWaalsContact O-N 3.09Å; F1056-L1060 HydrophobicContact CE1-CD2 3.94Å; F1056-L1060 HydrophobicContact CZ-CB 4.4Å; F1056-L1060 HydrophobicContact CZ-CD2 3.79Å; F1056-L1060 WeakPolarHBondContact O-CB 3.4Å; F1056-L1060 PolarHBondContact O-N 3.42Å; F1056-L1085 HydrophobicContact CD2-CD1 4.38Å; F1056-L1085 HydrophobicContact CD2-CD2 4.12Å; F1056-L1085 HydrophobicContact CE2-CD2 3.93Å; F1056-L1085 HydrophobicContact CE2-CG 4.3Å; F1056-L1092 HydrophobicContact CB-CD1 4.04Å; F1056-L1092 HydrophobicContact CD1-CB 3.95Å; F1056-L1092 HydrophobicContact CD2-CB 3.67Å; F1056-L1092 HydrophobicContact CD2-CD1 3.49Å; F1056-L1092 VanDerWaalsContact CD2-CD1 3.49Å; F1056-L1092 HydrophobicContact CD2-CG 4.22Å; F1056-L1092 HydrophobicContact CE1-CB 3.81Å; F1056-L1092 WeakPolarHBondContact CE1-O 3.19Å; F1056-L1092 HydrophobicContact CE2-CB 3.51Å; F1056-L1092 HydrophobicContact CE2-CD1 4.09Å; F1056-L1092 HydrophobicContact CE2-CG 4.47Å; F1056-L1092 HydrophobicContact CG-CB 3.88Å; F1056-L1092 HydrophobicContact CG-CD1 3.82Å; F1056-L1092 HydrophobicContact CG-CG 4.37Å; F1056-L1092 HydrophobicContact CZ-CB 3.58Å; F1056-L1092 VanDerWaalsContact CZ-O 3.31Å; F1056-L1092 WeakPolarHBondContact CZ-O 3.41Å; F1056-F1093 HydrophobicContact CE2-CD2 4.17Å; F1056-F1093 HydrophobicContact CE2-CE1 4.35Å; F1056-F1093 AromaticContact CE2-CE2 3.84Å; F1056-F1093 HydrophobicContact CE2-CE2 3.84Å; F1056-F1093 AromaticContact CE2-CZ 3.96Å; F1056-F1093 HydrophobicContact CE2-CZ 3.96Å; F1056-F1093 HydrophobicContact CZ-CD1 4.17Å; F1056-F1093 HydrophobicContact CZ-CD2 4.17Å; F1056-F1093 HydrophobicContact CZ-CE1 4.27Å; F1056-F1093 HydrophobicContact CZ-CE2 4.24Å; F1056-F1093 HydrophobicContact CZ-CG 4.15Å; F1056-F1093 HydrophobicContact CZ-CZ 4.31Å; F1056-F1096 AromaticContact CE1-CD2 3.77Å; F1056-F1096 HydrophobicContact CE1-CD2 3.77Å; F1056-F1096 HydrophobicContact CE1-CE2 4.03Å |
| 1057 | K | 85 | Confident | 84.2 | Confident | 103 Ų | 103 | 38.7 Ų | 38.7 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.6 | -44.8 | -178.5 | -60 | -175.8 | -176.3 | -169.7 | 0 | 111.3 | L1061 F1096 | K1057-L1061 WeakPolarHBondContact O-CB 3.34Å; K1057-L1061 WeakPolarHBondContact O-CD1 3.44Å; K1057-L1061 WeakPolarHBondContact O-CG 3.47Å; K1057-L1061 PolarHBondContact O-N 2.81Å; K1057-F1096 HydrophobicContact CD-CE2 4.29Å; K1057-F1096 HydrophobicContact CD-CZ 3.85Å; K1057-F1096 HydrophobicContact CG-CE2 4.21Å; K1057-F1096 HydrophobicContact CG-CZ 3.92Å |
| 1058 | P | 85.1 | Confident | 84.2 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -51.7 | -53.2 | 164.9 | -30.5 | 37.1 | 0 | 0 | 0 | 114.4 | T1003 I1007 L1020 E1054 Y1055 L1061 I1062 | T1003-P1058 HydrophobicContact CG2-CB 4.37Å; T1003-P1058 HydrophobicContact CG2-CG 4.11Å; I1007-P1058 HydrophobicContact CD1-CB 4.03Å; I1007-P1058 HydrophobicContact CG1-CB 4.12Å; L1020-P1058 HydrophobicContact CD1-CB 3.94Å; L1020-P1058 HydrophobicContact CD2-CB 4.01Å; E1054-P1058 VanDerWaalsContact O-CD 3.24Å; E1054-P1058 WeakPolarHBondContact O-CD 3.46Å; E1054-P1058 WeakPolarHBondContact O-CG 3.34Å; Y1055-P1058 WeakPolarHBondContact O-CD 3.43Å; P1058-L1061 PolarHBondContact O-N 3.2Å; P1058-I1062 WeakPolarHBondContact O-CD1 3.22Å; P1058-I1062 VanDerWaalsContact O-CG1 3.28Å; P1058-I1062 WeakPolarHBondContact O-CG1 3.36Å; P1058-I1062 PolarHBondContact O-N 3.36Å; P1058-I1062 VanDerWaalsContact O-N 3.1Å |
| 1059 | T | 89 | Confident | 84.3 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -51 | -175.3 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | M1016 L1040 W1052 Y1055 F1056 L1061 I1062 L1063 L1085 | M1016-T1059 HydrophobicContact CE-CG2 4.23Å; M1016-T1059 WeakPolarHBondContact CE-OG1 3.22Å; L1040-T1059 HydrophobicContact CD2-CG2 4Å; W1052-T1059 HydrophobicContact CZ3-CG2 4.33Å; Y1055-T1059 VanDerWaalsContact O-CB 3.29Å; Y1055-T1059 WeakPolarHBondContact O-CB 3.08Å; Y1055-T1059 PolarHBondContact O-N 3.36Å; Y1055-T1059 PolarHBondContact O-OG1 2.94Å; F1056-T1059 PolarHBondContact O-N 3Å; F1056-T1059 VanDerWaalsContact O-N 3.09Å; T1059-L1061 PolarHBondContact O-N 2.68Å; T1059-I1062 PolarHBondContact O-N 2.85Å; T1059-L1063 HydrophobicContact CG2-CD1 3.69Å; T1059-L1063 HydrophobicContact CG2-CG 4.34Å; T1059-L1063 WeakPolarHBondContact O-CB 3.16Å; T1059-L1063 VanDerWaalsContact O-CG 3.27Å; T1059-L1063 WeakPolarHBondContact O-CG 3.41Å; T1059-L1063 PolarHBondContact O-N 3.03Å; T1059-L1085 HydrophobicContact CG2-CD2 4.32Å |
| 1060 | L | 89.5 | Confident | 84.6 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.7 | -46.7 | -179.1 | -178.8 | 64.2 | 0 | 0 | 0 | 111.1 | F1056 I1062 L1063 L1064 L1082 F1093 F1096 | F1056-L1060 HydrophobicContact CE1-CD2 3.94Å; F1056-L1060 HydrophobicContact CZ-CB 4.4Å; F1056-L1060 HydrophobicContact CZ-CD2 3.79Å; F1056-L1060 WeakPolarHBondContact O-CB 3.4Å; F1056-L1060 PolarHBondContact O-N 3.42Å; L1060-I1062 PolarHBondContact O-N 3.17Å; L1060-L1063 PolarHBondContact O-N 3.01Å; L1060-L1064 HydrophobicContact CD1-CD1 3.92Å; L1060-L1064 HydrophobicContact CD1-CG 4Å; L1060-L1064 HydrophobicContact CG-CD1 3.89Å; L1060-L1064 HydrophobicContact CG-CG 4.31Å; L1060-L1064 WeakPolarHBondContact O-CB 3.33Å; L1060-L1064 VanDerWaalsContact O-CG 3.24Å; L1060-L1064 WeakPolarHBondContact O-CG 3.44Å; L1060-L1064 PolarHBondContact O-N 2.8Å; L1060-L1082 HydrophobicContact CD1-CD2 3.75Å; L1060-F1093 HydrophobicContact CD1-CE1 3.82Å; L1060-F1096 HydrophobicContact CD2-CB 3.69Å; L1060-F1096 HydrophobicContact CD2-CD1 3.91Å; L1060-F1096 HydrophobicContact CD2-CD2 4.27Å; L1060-F1096 HydrophobicContact CD2-CG 3.68Å |
| 1061 | L | 84.6 | Confident | 85 | Confident | 30 Ų | 30 | 34.6 Ų | 34.6 | 16% | 0.157 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -40.3 | -179 | -64.8 | 169.1 | 0 | 0 | 0 | 112 | V998 I999 T1003 K1057 P1058 T1059 E1065 | V998-L1061 HydrophobicContact CG1-CD2 3.85Å; I999-L1061 HydrophobicContact CB-CB 4.33Å; I999-L1061 HydrophobicContact CG1-CB 3.86Å; T1003-L1061 HydrophobicContact CG2-CD1 4.43Å; K1057-L1061 WeakPolarHBondContact O-CB 3.34Å; K1057-L1061 WeakPolarHBondContact O-CD1 3.44Å; K1057-L1061 WeakPolarHBondContact O-CG 3.47Å; K1057-L1061 PolarHBondContact O-N 2.81Å; P1058-L1061 PolarHBondContact O-N 3.2Å; T1059-L1061 PolarHBondContact O-N 2.68Å; L1061-E1065 WeakPolarHBondContact O-CB 3.44Å; L1061-E1065 PolarHBondContact O-N 3.33Å |
| 1062 | I | 85.7 | Confident | 85.4 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.5 | -42.5 | 175.8 | -61.4 | 159.5 | 0 | 0 | 0 | 111.4 | I999 I1007 L1020 L1023 P1058 T1059 L1060 E1065 T1066 | I999-I1062 HydrophobicContact CD1-CB 4.14Å; I999-I1062 HydrophobicContact CD1-CG1 3.43Å; I999-I1062 VanDerWaalsContact CD1-CG1 3.43Å; I999-I1062 HydrophobicContact CG1-CB 4.5Å; I999-I1062 HydrophobicContact CG1-CG1 3.85Å; I1007-I1062 HydrophobicContact CD1-CD1 4.05Å; L1020-I1062 HydrophobicContact CB-CD1 4.4Å; L1020-I1062 HydrophobicContact CD2-CD1 3.51Å; L1023-I1062 HydrophobicContact CB-CG2 3.76Å; P1058-I1062 WeakPolarHBondContact O-CD1 3.22Å; P1058-I1062 VanDerWaalsContact O-CG1 3.28Å; P1058-I1062 WeakPolarHBondContact O-CG1 3.36Å; P1058-I1062 PolarHBondContact O-N 3.36Å; P1058-I1062 VanDerWaalsContact O-N 3.1Å; T1059-I1062 PolarHBondContact O-N 2.85Å; L1060-I1062 PolarHBondContact O-N 3.17Å; I1062-E1065 PolarHBondContact O-N 3.46Å; I1062-T1066 WeakPolarHBondContact O-CB 3.39Å; I1062-T1066 PolarHBondContact O-N 3.28Å; I1062-T1066 PolarHBondContact O-OG1 3.5Å |
| 1063 | L | 90.3 | Very high | 85.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.6 | -43.6 | 179.5 | -69.6 | 172.2 | 0 | 0 | 0 | 111.6 | T1059 L1060 E1065 T1066 L1067 A1078 V1081 L1082 | T1059-L1063 HydrophobicContact CG2-CD1 3.69Å; T1059-L1063 HydrophobicContact CG2-CG 4.34Å; T1059-L1063 WeakPolarHBondContact O-CB 3.16Å; T1059-L1063 VanDerWaalsContact O-CG 3.27Å; T1059-L1063 WeakPolarHBondContact O-CG 3.41Å; T1059-L1063 PolarHBondContact O-N 3.03Å; L1060-L1063 PolarHBondContact O-N 3.01Å; L1063-E1065 VanDerWaalsContact C-N 3.32Å; L1063-E1065 PolarHBondContact O-N 2.85Å; L1063-T1066 WeakPolarHBondContact O-CB 3.36Å; L1063-T1066 PolarHBondContact O-N 3.24Å; L1063-T1066 VanDerWaalsContact O-N 3.12Å; L1063-L1067 WeakPolarHBondContact O-CG 3.18Å; L1063-L1067 PolarHBondContact O-N 2.77Å; L1063-A1078 HydrophobicContact CD2-CB 4.1Å; L1063-V1081 HydrophobicContact CD1-CB 3.9Å; L1063-V1081 HydrophobicContact CD1-CG1 3.46Å; L1063-V1081 VanDerWaalsContact CD1-CG1 3.46Å; L1063-V1081 HydrophobicContact CD2-CB 3.8Å; L1063-V1081 HydrophobicContact CD2-CG1 3.95Å; L1063-V1081 HydrophobicContact CD2-CG2 4.08Å; L1063-V1081 HydrophobicContact CG-CG1 4.35Å; L1063-L1082 HydrophobicContact CB-CD1 4.25Å; L1063-L1082 HydrophobicContact CB-CD2 3.82Å; L1063-L1082 HydrophobicContact CB-CG 3.96Å; L1063-L1082 HydrophobicContact CD1-CD2 3.82Å; L1063-L1082 HydrophobicContact CD1-CG 4.07Å; L1063-L1082 HydrophobicContact CG-CD2 4.5Å |
| 1064 | L | 89.5 | Confident | 86.2 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65 | -32.8 | 175.8 | -68.4 | -179.2 | 0 | 0 | 0 | 112.8 | L1060 L1067 L1082 L1099 F1100 K1103 | L1060-L1064 HydrophobicContact CD1-CD1 3.92Å; L1060-L1064 HydrophobicContact CD1-CG 4Å; L1060-L1064 HydrophobicContact CG-CD1 3.89Å; L1060-L1064 HydrophobicContact CG-CG 4.31Å; L1060-L1064 WeakPolarHBondContact O-CB 3.33Å; L1060-L1064 VanDerWaalsContact O-CG 3.24Å; L1060-L1064 WeakPolarHBondContact O-CG 3.44Å; L1060-L1064 PolarHBondContact O-N 2.8Å; L1064-L1067 HydrophobicContact CD2-CD1 3.92Å; L1064-L1082 HydrophobicContact CD2-CD1 4.11Å; L1064-L1099 HydrophobicContact CD1-CD2 4.08Å; L1064-L1099 HydrophobicContact CD1-CG 4.11Å; L1064-F1100 HydrophobicContact CD2-CD2 4.36Å; L1064-K1103 HydrophobicContact CD2-CB 3.68Å; L1064-K1103 HydrophobicContact CD2-CG 4.05Å |
| 1065 | E | 84.3 | Confident | 86.8 | Confident | 3 Ų | 3 | 27.5 Ų | 27.5 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.7 | -33.9 | 171 | -176.8 | 166.1 | 163.8 | 0 | 0 | 112.6 | K996 P997 V998 I999 H1026 L1061 I1062 L1063 L1067 | K996-E1065 WeakPolarHBondContact CA-OE1 3.43Å; K996-E1065 WeakPolarHBondContact CB-OE1 3.48Å; P997-E1065 VanDerWaalsContact CA-CD 3.41Å; P997-E1065 VanDerWaalsContact CA-OE1 3.29Å; P997-E1065 WeakPolarHBondContact CA-OE1 3.19Å; P997-E1065 WeakPolarHBondContact CA-OE2 3.25Å; P997-E1065 WeakPolarHBondContact CB-OE1 3.38Å; P997-E1065 WeakPolarHBondContact CB-OE2 3.46Å; V998-E1065 HydrophobicContact CB-CB 4.3Å; V998-E1065 HydrophobicContact CG2-CB 4.48Å; V998-E1065 PolarHBondContact N-OE2 3.19Å; I999-E1065 WeakPolarHBondContact CD1-OE2 3.39Å; I999-E1065 WeakPolarHBondContact CG1-OE2 3.39Å; I999-E1065 PolarHBondContact N-OE2 3.48Å; H1026-E1065 IonicContact CD2-OE1 2.62Å; H1026-E1065 IonicContact CE1-OE1 2.95Å; H1026-E1065 IonicContact NE2-OE1 3.39Å; L1061-E1065 WeakPolarHBondContact O-CB 3.44Å; L1061-E1065 PolarHBondContact O-N 3.33Å; I1062-E1065 PolarHBondContact O-N 3.46Å; L1063-E1065 VanDerWaalsContact C-N 3.32Å; L1063-E1065 PolarHBondContact O-N 2.85Å; E1065-L1067 PolarHBondContact O-N 3.2Å |
| 1066 | T | 87 | Confident | 87.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.1 | -22.9 | 177.4 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | R1033 M1037 I1062 L1063 G1068 D1069 T1074 A1078 | R1033-T1066 PolarHBondContact NH2-OG1 2.62Å; M1037-T1066 HydrophobicContact CE-CG2 3.71Å; I1062-T1066 WeakPolarHBondContact O-CB 3.39Å; I1062-T1066 PolarHBondContact O-N 3.28Å; I1062-T1066 PolarHBondContact O-OG1 3.5Å; L1063-T1066 WeakPolarHBondContact O-CB 3.36Å; L1063-T1066 PolarHBondContact O-N 3.24Å; L1063-T1066 VanDerWaalsContact O-N 3.12Å; T1066-G1068 PolarHBondContact O-N 2.69Å; T1066-D1069 PolarHBondContact O-N 2.76Å; T1066-T1074 HydrophobicContact CG2-CG2 3.64Å; T1066-A1078 HydrophobicContact CG2-CB 3.59Å |
| 1067 | L | 88.1 | Confident | 87.5 | Confident | 20 Ų | 20 | 27.3 Ų | 27.3 | 11% | 0.105 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 5.8 | 178.3 | -61.4 | -175.6 | 0 | 0 | 0 | 115.4 | L1063 L1064 E1065 R1075 A1078 L1079 L1082 K1103 | L1063-L1067 WeakPolarHBondContact O-CG 3.18Å; L1063-L1067 PolarHBondContact O-N 2.77Å; L1064-L1067 HydrophobicContact CD2-CD1 3.92Å; E1065-L1067 PolarHBondContact O-N 3.2Å; L1067-R1075 VanDerWaalsContact O-CD 3.29Å; L1067-R1075 WeakPolarHBondContact O-CD 3.33Å; L1067-A1078 HydrophobicContact CD2-CB 4.08Å; L1067-L1079 HydrophobicContact CD1-CD2 4.32Å; L1067-L1079 HydrophobicContact CD2-CD2 3.65Å; L1067-L1079 HydrophobicContact CD2-CG 3.6Å; L1067-L1082 HydrophobicContact CD1-CD1 4.1Å; L1067-L1082 HydrophobicContact CD2-CD1 4.29Å; L1067-L1082 HydrophobicContact CG-CD1 4.45Å; L1067-K1103 HydrophobicContact CD1-CB 4.1Å |
| 1068 | G | 83.1 | Confident | 87.9 | Confident | 7 Ų | 7 | 22.4 Ų | 22.4 | 7% | 0.072 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -150 | 25.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.5 | L994 T1066 | L994-G1068 PolarHBondContact N-O 3.29Å; T1066-G1068 PolarHBondContact O-N 2.69Å |
| 1069 | D | 83 | Confident | 88.4 | Confident | 19 Ų | 19 | 21.8 Ų | 21.8 | 10% | 0.102 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -59.9 | 147.3 | 155 | -79.5 | -37 | 0 | 0 | 0 | 109.2 | H1026 R1033 T1066 G1071 R1075 | H1026-D1069 IonicContact ND1-OD1 2.69Å; H1026-D1069 IonicContact ND1-OD2 3.36Å; R1033-D1069 IonicContact CZ-OD2 3.2Å; R1033-D1069 VanDerWaalsContact CZ-OD2 3.23Å; R1033-D1069 IonicContact NH1-OD2 2.8Å; R1033-D1069 PolarHBondContact NH1-OD2 3.3Å; R1033-D1069 IonicContact NH2-OD2 3.17Å; R1033-D1069 PolarHBondContact NH2-OD2 3.08Å; T1066-D1069 PolarHBondContact O-N 2.76Å; D1069-G1071 PolarHBondContact O-N 2.93Å; D1069-G1071 VanDerWaalsContact O-N 3.15Å; D1069-R1075 WeakPolarHBondContact O-CD 3.44Å; D1069-R1075 WeakPolarHBondContact O-CG 3.47Å; D1069-R1075 PolarHBondContact O-NH1 3.13Å |
| 1070 | D | 82.4 | Confident | 88.8 | Confident | 121 Ų | 121 | 27.9 Ų | 27.9 | 65% | 0.647 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -59.2 | -30.5 | -176.3 | -57.3 | -63.1 | 0 | 0 | 0 | 112.6 | R1075 | D1070-R1075 VanDerWaalsContact C-NH1 3.34Å; D1070-R1075 PolarHBondContact O-NH1 2.93Å |
| 1071 | G | 83.4 | Confident | 89 | Confident | 35 Ų | 35 | 27.9 Ų | 27.9 | 36% | 0.361 | 14% | 0.144 | S | C | . | . | trans | -79.5 | 115.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1069 E1073 T1074 R1075 | D1069-G1071 PolarHBondContact O-N 2.93Å; D1069-G1071 VanDerWaalsContact O-N 3.15Å; G1071-E1073 VanDerWaalsContact C-N 3.33Å; G1071-E1073 PolarHBondContact O-N 3.16Å; G1071-T1074 WeakPolarHBondContact O-CB 3.28Å; G1071-T1074 PolarHBondContact O-N 2.8Å; G1071-T1074 VanDerWaalsContact O-N 3.15Å; G1071-R1075 PolarHBondContact O-N 3.41Å | ||
| 1072 | H | 89.1 | Confident | 89.5 | Confident | 74 Ų | 74 | 26.4 Ų | 26.4 | 34% | 0.343 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -64.2 | -31.9 | -177.2 | 62.9 | -126.6 | 0 | 0 | 0 | 114.1 | T1074 R1075 A1076 E1112 V1115 | H1072-T1074 VanDerWaalsContact C-N 3.28Å; H1072-T1074 PolarHBondContact O-N 2.87Å; H1072-R1075 PolarHBondContact O-N 3.44Å; H1072-A1076 WeakPolarHBondContact O-CB 3.14Å; H1072-A1076 PolarHBondContact O-N 2.77Å; H1072-E1112 HydrophobicContact CB-CB 3.93Å; H1072-E1112 HydrophobicContact CB-CG 3.71Å; H1072-E1112 IonicContact CE1-OE1 2.74Å; H1072-E1112 IonicContact CG-OE1 3.07Å; H1072-E1112 IonicContact ND1-OE1 2.69Å; H1072-E1112 PolarHBondContact ND1-OE1 3.02Å; H1072-V1115 HydrophobicContact CB-CG2 3.94Å; H1072-V1115 WeakPolarHBondContact O-CG2 3.38Å |
| 1073 | E | 90.1 | Very high | 90 | Very high | 100 Ų | 100 | 27.6 Ų | 27.6 | 47% | 0.467 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -62.2 | -41.6 | 175.8 | -66.5 | -165 | 162.2 | 0 | 0 | 110.5 | K1034 G1071 L1077 | K1034-E1073 WeakPolarHBondContact CE-OE2 3.25Å; K1034-E1073 IonicContact NZ-OE2 3.61Å; K1034-E1073 PolarHBondContact NZ-OE2 3.16Å; G1071-E1073 VanDerWaalsContact C-N 3.33Å; G1071-E1073 PolarHBondContact O-N 3.16Å; E1073-L1077 WeakPolarHBondContact O-CB 3.48Å; E1073-L1077 PolarHBondContact O-N 2.98Å |
| 1074 | T | 89.1 | Confident | 90.2 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 8% | 0.08 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67 | -41.9 | 179.8 | -39 | 0 | 0 | 0 | 0 | 111.1 | M1037 T1066 G1071 H1072 L1077 A1078 | M1037-T1074 HydrophobicContact CE-CG2 3.75Å; M1037-T1074 HydrophobicContact SD-CG2 4.27Å; T1066-T1074 HydrophobicContact CG2-CG2 3.64Å; G1071-T1074 WeakPolarHBondContact O-CB 3.28Å; G1071-T1074 PolarHBondContact O-N 2.8Å; G1071-T1074 VanDerWaalsContact O-N 3.15Å; H1072-T1074 VanDerWaalsContact C-N 3.28Å; H1072-T1074 PolarHBondContact O-N 2.87Å; T1074-L1077 PolarHBondContact O-N 3.06Å; T1074-A1078 WeakPolarHBondContact O-CB 3.31Å; T1074-A1078 PolarHBondContact O-N 3.43Å |
| 1075 | R | 91.2 | Very high | 90.3 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.3 | -50 | 174.4 | -60.1 | -160.8 | -60.5 | -80.5 | 5.8 | 112.1 | L1067 D1069 D1070 G1071 H1072 L1077 A1078 L1079 D1110 V1115 | L1067-R1075 VanDerWaalsContact O-CD 3.29Å; L1067-R1075 WeakPolarHBondContact O-CD 3.33Å; D1069-R1075 WeakPolarHBondContact O-CD 3.44Å; D1069-R1075 WeakPolarHBondContact O-CG 3.47Å; D1069-R1075 PolarHBondContact O-NH1 3.13Å; D1070-R1075 VanDerWaalsContact C-NH1 3.34Å; D1070-R1075 PolarHBondContact O-NH1 2.93Å; G1071-R1075 PolarHBondContact O-N 3.41Å; H1072-R1075 PolarHBondContact O-N 3.44Å; R1075-L1077 VanDerWaalsContact C-N 3.28Å; R1075-L1077 PolarHBondContact O-N 3.31Å; R1075-A1078 PolarHBondContact O-N 2.9Å; R1075-L1079 WeakPolarHBondContact O-CG 3.22Å; R1075-L1079 PolarHBondContact O-N 3.05Å; R1075-L1079 VanDerWaalsContact O-N 3.07Å; R1075-D1110 IonicContact CZ-OD1 3.99Å; R1075-D1110 IonicContact CZ-OD2 3.13Å; R1075-D1110 IonicContact NE-OD1 3.82Å; R1075-D1110 IonicContact NE-OD2 2.75Å; R1075-D1110 PolarHBondContact NE-OD2 3.23Å; R1075-D1110 IonicContact NH2-OD1 2.63Å; R1075-D1110 PolarHBondContact NH2-OD1 3.36Å; R1075-D1110 IonicContact NH2-OD2 2.72Å; R1075-D1110 PolarHBondContact NH2-OD2 3.15Å; R1075-D1110 VanDerWaalsContact NH2-OD2 3.12Å; R1075-V1115 HydrophobicContact CB-CG1 3.95Å; R1075-V1115 HydrophobicContact CB-CG2 3.98Å |
| 1076 | A | 94.3 | Very high | 90.8 | Very high | 7 Ų | 7 | 28 Ų | 28 | 6% | 0.058 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.7 | -34.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1072 R1080 V1115 A1118 | H1072-A1076 WeakPolarHBondContact O-CB 3.14Å; H1072-A1076 PolarHBondContact O-N 2.77Å; A1076-R1080 WeakPolarHBondContact O-CG 3.43Å; A1076-R1080 PolarHBondContact O-N 3.29Å; A1076-V1115 HydrophobicContact CB-CG2 4.14Å; A1076-A1118 HydrophobicContact CB-CB 4.27Å |
| 1077 | L | 93.6 | Very high | 91.1 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 7% | 0.073 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.5 | -37.9 | 177.5 | -170.4 | 61.5 | 0 | 0 | 0 | 112.3 | K1034 M1037 L1038 I1041 E1073 T1074 R1075 L1079 R1080 V1081 | K1034-L1077 HydrophobicContact CB-CD2 4.27Å; K1034-L1077 HydrophobicContact CG-CD2 3.96Å; K1034-L1077 WeakPolarHBondContact O-CD2 3.46Å; M1037-L1077 HydrophobicContact CB-CD2 3.61Å; M1037-L1077 HydrophobicContact CB-CG 3.72Å; M1037-L1077 HydrophobicContact CG-CD2 4.43Å; M1037-L1077 HydrophobicContact CG-CG 4.48Å; M1037-L1077 HydrophobicContact SD-CB 4.19Å; M1037-L1077 HydrophobicContact SD-CD2 4.06Å; M1037-L1077 HydrophobicContact SD-CG 4.06Å; L1038-L1077 HydrophobicContact CD2-CD1 3.97Å; L1038-L1077 HydrophobicContact CG-CD1 4.42Å; L1038-L1077 HydrophobicContact CG-CD2 4.22Å; I1041-L1077 HydrophobicContact CD1-CD1 3.75Å; E1073-L1077 WeakPolarHBondContact O-CB 3.48Å; E1073-L1077 PolarHBondContact O-N 2.98Å; T1074-L1077 PolarHBondContact O-N 3.06Å; R1075-L1077 VanDerWaalsContact C-N 3.28Å; R1075-L1077 PolarHBondContact O-N 3.31Å; L1077-L1079 VanDerWaalsContact C-N 3.33Å; L1077-L1079 PolarHBondContact O-N 2.66Å; L1077-R1080 WeakPolarHBondContact O-CA 3.41Å; L1077-R1080 WeakPolarHBondContact O-CB 3.17Å; L1077-R1080 PolarHBondContact O-N 2.99Å; L1077-R1080 VanDerWaalsContact O-N 3.09Å; L1077-V1081 WeakPolarHBondContact O-CG2 3.2Å; L1077-V1081 PolarHBondContact O-N 3.27Å |
| 1078 | A | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.3 | -39 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1037 L1063 T1066 L1067 T1074 R1075 R1080 V1081 L1082 | M1037-A1078 HydrophobicContact SD-CB 4.46Å; L1063-A1078 HydrophobicContact CD2-CB 4.1Å; T1066-A1078 HydrophobicContact CG2-CB 3.59Å; L1067-A1078 HydrophobicContact CD2-CB 4.08Å; T1074-A1078 WeakPolarHBondContact O-CB 3.31Å; T1074-A1078 PolarHBondContact O-N 3.43Å; R1075-A1078 PolarHBondContact O-N 2.9Å; A1078-R1080 VanDerWaalsContact C-N 3.3Å; A1078-R1080 PolarHBondContact O-N 2.9Å; A1078-V1081 PolarHBondContact O-N 2.73Å; A1078-L1082 WeakPolarHBondContact O-CG 3.4Å; A1078-L1082 PolarHBondContact O-N 3.34Å |
| 1079 | L | 96 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.3 | -39.7 | 170.4 | -71 | 164.7 | 0 | 0 | 0 | 112.2 | L1067 R1075 L1077 L1082 Q1083 A1107 V1115 A1118 A1119 | L1067-L1079 HydrophobicContact CD1-CD2 4.32Å; L1067-L1079 HydrophobicContact CD2-CD2 3.65Å; L1067-L1079 HydrophobicContact CD2-CG 3.6Å; R1075-L1079 WeakPolarHBondContact O-CG 3.22Å; R1075-L1079 PolarHBondContact O-N 3.05Å; R1075-L1079 VanDerWaalsContact O-N 3.07Å; L1077-L1079 VanDerWaalsContact C-N 3.33Å; L1077-L1079 PolarHBondContact O-N 2.66Å; L1079-L1082 PolarHBondContact O-N 3.5Å; L1079-Q1083 VanDerWaalsContact O-CB 3.31Å; L1079-Q1083 WeakPolarHBondContact O-CB 3.41Å; L1079-Q1083 PolarHBondContact O-N 2.84Å; L1079-A1107 HydrophobicContact CD1-CB 4.12Å; L1079-A1107 HydrophobicContact CD2-CB 3.95Å; L1079-V1115 HydrophobicContact CD1-CG1 3.56Å; L1079-V1115 WeakPolarHBondContact CD1-O 3.35Å; L1079-A1118 HydrophobicContact CB-CB 3.94Å; L1079-A1118 HydrophobicContact CD1-CB 3.99Å; L1079-A1119 HydrophobicContact CD1-CB 3.89Å; L1079-A1119 HydrophobicContact CD2-CB 4.33Å |
| 1080 | R | 95.9 | Very high | 91.8 | Very high | 130 Ų | 130 | 37.5 Ų | 37.5 | 49% | 0.491 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 173.8 | -70.5 | 170.3 | 178.4 | 174.6 | 0.1 | 112.5 | I1041 A1076 L1077 A1078 L1082 Q1083 E1084 | I1041-R1080 HydrophobicContact CD1-CB 3.98Å; A1076-R1080 WeakPolarHBondContact O-CG 3.43Å; A1076-R1080 PolarHBondContact O-N 3.29Å; L1077-R1080 WeakPolarHBondContact O-CA 3.41Å; L1077-R1080 WeakPolarHBondContact O-CB 3.17Å; L1077-R1080 PolarHBondContact O-N 2.99Å; L1077-R1080 VanDerWaalsContact O-N 3.09Å; A1078-R1080 VanDerWaalsContact C-N 3.3Å; A1078-R1080 PolarHBondContact O-N 2.9Å; R1080-L1082 VanDerWaalsContact C-N 3.34Å; R1080-Q1083 WeakPolarHBondContact O-CB 3.35Å; R1080-Q1083 PolarHBondContact O-N 3.28Å; R1080-E1084 WeakPolarHBondContact O-CG 3.45Å; R1080-E1084 PolarHBondContact O-N 3.38Å |
| 1081 | V | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.7 | -44.8 | 173.3 | -174 | 0 | 0 | 0 | 0 | 110.3 | M1037 L1040 I1041 L1044 L1063 L1077 A1078 Q1083 E1084 L1085 | M1037-V1081 HydrophobicContact CB-CG2 3.75Å; M1037-V1081 HydrophobicContact CG-CG2 4.02Å; L1040-V1081 HydrophobicContact CD2-CG1 3.7Å; L1040-V1081 HydrophobicContact CG-CG1 3.9Å; I1041-V1081 HydrophobicContact CD1-CG2 3.92Å; I1041-V1081 HydrophobicContact CG1-CB 4.38Å; I1041-V1081 HydrophobicContact CG1-CG2 3.88Å; L1044-V1081 HydrophobicContact CD1-CG1 4.13Å; L1063-V1081 HydrophobicContact CD1-CB 3.9Å; L1063-V1081 HydrophobicContact CD1-CG1 3.46Å; L1063-V1081 VanDerWaalsContact CD1-CG1 3.46Å; L1063-V1081 HydrophobicContact CD2-CB 3.8Å; L1063-V1081 HydrophobicContact CD2-CG1 3.95Å; L1063-V1081 HydrophobicContact CD2-CG2 4.08Å; L1063-V1081 HydrophobicContact CG-CG1 4.35Å; L1077-V1081 WeakPolarHBondContact O-CG2 3.2Å; L1077-V1081 PolarHBondContact O-N 3.27Å; A1078-V1081 PolarHBondContact O-N 2.73Å; V1081-Q1083 VanDerWaalsContact C-N 3.34Å; V1081-Q1083 PolarHBondContact O-N 2.83Å; V1081-E1084 PolarHBondContact O-N 2.84Å; V1081-L1085 VanDerWaalsContact O-CB 3.27Å; V1081-L1085 WeakPolarHBondContact O-CB 3.19Å; V1081-L1085 PolarHBondContact O-N 3.04Å |
| 1082 | L | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.7 | -39 | 176.7 | -70.6 | 167.9 | 0 | 0 | 0 | 112.4 | L1060 L1063 L1064 L1067 A1078 L1079 R1080 L1085 V1086 F1100 | L1060-L1082 HydrophobicContact CD1-CD2 3.75Å; L1063-L1082 HydrophobicContact CB-CD1 4.25Å; L1063-L1082 HydrophobicContact CB-CD2 3.82Å; L1063-L1082 HydrophobicContact CB-CG 3.96Å; L1063-L1082 HydrophobicContact CD1-CD2 3.82Å; L1063-L1082 HydrophobicContact CD1-CG 4.07Å; L1063-L1082 HydrophobicContact CG-CD2 4.5Å; L1064-L1082 HydrophobicContact CD2-CD1 4.11Å; L1067-L1082 HydrophobicContact CD1-CD1 4.1Å; L1067-L1082 HydrophobicContact CD2-CD1 4.29Å; L1067-L1082 HydrophobicContact CG-CD1 4.45Å; A1078-L1082 WeakPolarHBondContact O-CG 3.4Å; A1078-L1082 PolarHBondContact O-N 3.34Å; L1079-L1082 PolarHBondContact O-N 3.5Å; R1080-L1082 VanDerWaalsContact C-N 3.34Å; L1082-L1085 PolarHBondContact O-N 2.67Å; L1082-V1086 WeakPolarHBondContact O-CG1 3.1Å; L1082-V1086 PolarHBondContact O-N 3.43Å; L1082-F1100 HydrophobicContact CB-CE2 4.02Å; L1082-F1100 HydrophobicContact CB-CZ 4.48Å; L1082-F1100 HydrophobicContact CD1-CE2 4.31Å; L1082-F1100 HydrophobicContact CD2-CE2 4.15Å; L1082-F1100 HydrophobicContact CG-CE2 4.39Å |
| 1083 | Q | 95.6 | Very high | 92.4 | Very high | 26 Ų | 26 | 32.2 Ų | 32.2 | 12% | 0.121 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.4 | -44 | 175.5 | -175.3 | -174 | 17.5 | 0 | 0 | 112.3 | L1079 R1080 V1081 V1086 R1087 D1121 C1122 T1125 | L1079-Q1083 VanDerWaalsContact O-CB 3.31Å; L1079-Q1083 WeakPolarHBondContact O-CB 3.41Å; L1079-Q1083 PolarHBondContact O-N 2.84Å; R1080-Q1083 WeakPolarHBondContact O-CB 3.35Å; R1080-Q1083 PolarHBondContact O-N 3.28Å; V1081-Q1083 VanDerWaalsContact C-N 3.34Å; V1081-Q1083 PolarHBondContact O-N 2.83Å; Q1083-V1086 WeakPolarHBondContact O-CG1 3.44Å; Q1083-R1087 WeakPolarHBondContact O-CB 3.16Å; Q1083-R1087 PolarHBondContact O-N 3.29Å; Q1083-D1121 PolarHBondContact NE2-O 3.4Å; Q1083-C1122 HydrophobicContact CB-CB 4.23Å; Q1083-T1125 HydrophobicContact CG-CG2 3.99Å; Q1083-T1125 WeakPolarHBondContact CG-OG1 3.25Å; Q1083-T1125 PolarHBondContact NE2-OG1 2.94Å |
| 1084 | E | 94.2 | Very high | 92.1 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.7 | -35.6 | 175.5 | -59.2 | -62.1 | 140.1 | 0 | 0 | 111.5 | I1041 L1044 R1045 R1080 V1081 R1087 A1088 | I1041-E1084 HydrophobicContact CG1-CG 4.31Å; I1041-E1084 HydrophobicContact CG2-CG 4.27Å; L1044-E1084 HydrophobicContact CB-CB 4.44Å; L1044-E1084 HydrophobicContact CD1-CB 4.18Å; R1045-E1084 WeakPolarHBondContact CG-OE2 3.42Å; R1045-E1084 IonicContact CZ-OE1 2.87Å; R1045-E1084 IonicContact CZ-OE2 3.3Å; R1045-E1084 IonicContact NE-OE1 3.58Å; R1045-E1084 IonicContact NE-OE2 3.55Å; R1045-E1084 PolarHBondContact NE-OE2 3.35Å; R1045-E1084 IonicContact NH2-OE1 3.66Å; R1045-E1084 PolarHBondContact NH2-OE1 2.98Å; R1045-E1084 IonicContact NH2-OE2 2.78Å; R1045-E1084 PolarHBondContact NH2-OE2 3.05Å; R1080-E1084 WeakPolarHBondContact O-CG 3.45Å; R1080-E1084 PolarHBondContact O-N 3.38Å; V1081-E1084 PolarHBondContact O-N 2.84Å; E1084-R1087 PolarHBondContact O-N 2.93Å; E1084-R1087 IonicContact OE1-CZ 3.23Å; E1084-R1087 IonicContact OE1-NH1 2.7Å; E1084-R1087 PolarHBondContact OE1-NH1 2.83Å; E1084-R1087 IonicContact OE2-NH1 3.76Å; E1084-R1087 PolarHBondContact OE2-NH1 2.94Å; E1084-A1088 VanDerWaalsContact O-CB 3.3Å; E1084-A1088 WeakPolarHBondContact O-CB 3.39Å; E1084-A1088 PolarHBondContact O-N 3.12Å |
| 1085 | L | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.6 | -44.2 | 178.1 | -177 | 62 | 0 | 0 | 0 | 112.2 | L1044 W1052 F1056 T1059 V1081 L1082 R1087 A1088 K1089 F1093 | L1044-L1085 HydrophobicContact CD1-CB 4.15Å; L1044-L1085 HydrophobicContact CD2-CB 4.45Å; L1044-L1085 HydrophobicContact CD2-CD1 3.78Å; W1052-L1085 HydrophobicContact CE3-CD1 4.1Å; W1052-L1085 HydrophobicContact CH2-CD1 3.76Å; W1052-L1085 HydrophobicContact CZ2-CD1 4.2Å; W1052-L1085 HydrophobicContact CZ3-CD1 3.71Å; F1056-L1085 HydrophobicContact CD2-CD1 4.38Å; F1056-L1085 HydrophobicContact CD2-CD2 4.12Å; F1056-L1085 HydrophobicContact CE2-CD2 3.93Å; F1056-L1085 HydrophobicContact CE2-CG 4.3Å; T1059-L1085 HydrophobicContact CG2-CD2 4.32Å; V1081-L1085 VanDerWaalsContact O-CB 3.27Å; V1081-L1085 WeakPolarHBondContact O-CB 3.19Å; V1081-L1085 PolarHBondContact O-N 3.04Å; L1082-L1085 PolarHBondContact O-N 2.67Å; L1085-R1087 VanDerWaalsContact C-N 3.32Å; L1085-R1087 PolarHBondContact O-N 2.83Å; L1085-A1088 PolarHBondContact O-N 3.48Å; L1085-K1089 HydrophobicContact CD1-CB 4.47Å; L1085-K1089 CarbonylContact O-C 3.51Å; L1085-K1089 WeakPolarHBondContact O-CA 3.19Å; L1085-K1089 PolarHBondContact O-N 3.07Å; L1085-F1093 HydrophobicContact CB-CZ 4.3Å; L1085-F1093 HydrophobicContact CD2-CE2 4.41Å; L1085-F1093 HydrophobicContact CD2-CZ 3.92Å; L1085-F1093 HydrophobicContact CG-CE2 3.9Å; L1085-F1093 HydrophobicContact CG-CZ 3.81Å |
| 1086 | V | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71.2 | -26.3 | 176.1 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | L1082 Q1083 P1090 F1093 F1100 T1125 V1126 L1130 | L1082-V1086 WeakPolarHBondContact O-CG1 3.1Å; L1082-V1086 PolarHBondContact O-N 3.43Å; Q1083-V1086 WeakPolarHBondContact O-CG1 3.44Å; V1086-P1090 WeakPolarHBondContact O-CB 3.35Å; V1086-P1090 WeakPolarHBondContact O-CD 3.49Å; V1086-F1093 HydrophobicContact CB-CD2 4.27Å; V1086-F1093 HydrophobicContact CB-CE2 3.79Å; V1086-F1093 HydrophobicContact CB-CZ 4Å; V1086-F1093 HydrophobicContact CG2-CD2 4.04Å; V1086-F1093 HydrophobicContact CG2-CE2 4.09Å; V1086-F1093 HydrophobicContact CG2-CG 4.44Å; V1086-F1100 HydrophobicContact CB-CE1 4.11Å; V1086-F1100 HydrophobicContact CB-CZ 4.23Å; V1086-F1100 HydrophobicContact CG1-CZ 4.41Å; V1086-F1100 HydrophobicContact CG2-CE1 3.96Å; V1086-T1125 HydrophobicContact CG1-CG2 4.1Å; V1086-V1126 HydrophobicContact CG1-CG2 4.02Å; V1086-V1126 HydrophobicContact CG2-CG2 4.39Å; V1086-L1130 HydrophobicContact CG2-CD2 3.64Å; V1086-L1130 HydrophobicContact CG2-CG 3.9Å |
| 1087 | R | 93.6 | Very high | 91 | Very high | 100 Ų | 100 | 38.6 Ų | 38.6 | 38% | 0.377 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -75 | -40.7 | 173.6 | -170.9 | -174.5 | -60.9 | 130.4 | 5.2 | 112.4 | Q1083 E1084 L1085 T1125 | Q1083-R1087 WeakPolarHBondContact O-CB 3.16Å; Q1083-R1087 PolarHBondContact O-N 3.29Å; E1084-R1087 PolarHBondContact O-N 2.93Å; E1084-R1087 IonicContact OE1-CZ 3.23Å; E1084-R1087 IonicContact OE1-NH1 2.7Å; E1084-R1087 PolarHBondContact OE1-NH1 2.83Å; E1084-R1087 IonicContact OE2-NH1 3.76Å; E1084-R1087 PolarHBondContact OE2-NH1 2.94Å; L1085-R1087 VanDerWaalsContact C-N 3.32Å; L1085-R1087 PolarHBondContact O-N 2.83Å; R1087-T1125 HydrophobicContact CB-CG2 4.08Å |
| 1088 | A | 90.2 | Very high | 90.6 | Very high | 46 Ų | 46 | 41 Ų | 41 | 38% | 0.38 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -81 | -30.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1044 E1084 L1085 | L1044-A1088 HydrophobicContact CD2-CB 4.13Å; E1084-A1088 VanDerWaalsContact O-CB 3.3Å; E1084-A1088 WeakPolarHBondContact O-CB 3.39Å; E1084-A1088 PolarHBondContact O-N 3.12Å; L1085-A1088 PolarHBondContact O-N 3.48Å |
| 1089 | K | 88.9 | Confident | 90.2 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 28% | 0.283 | 21% | 0.208 | S | C | . | . | trans | -145.3 | 60.3 | -170.3 | -72.7 | -60.6 | -175.7 | -172 | 0 | 113.8 | W1052 L1085 E1091 L1092 F1093 | W1052-K1089 HydrophobicContact CG-CG 4.45Å; L1085-K1089 HydrophobicContact CD1-CB 4.47Å; L1085-K1089 CarbonylContact O-C 3.51Å; L1085-K1089 WeakPolarHBondContact O-CA 3.19Å; L1085-K1089 PolarHBondContact O-N 3.07Å; K1089-E1091 VanDerWaalsContact CA-OE2 3.24Å; K1089-E1091 WeakPolarHBondContact CA-OE2 3.35Å; K1089-E1091 WeakPolarHBondContact CD-OE1 3.33Å; K1089-E1091 WeakPolarHBondContact CE-OE1 3.43Å; K1089-E1091 IonicContact NZ-OE1 2.97Å; K1089-E1091 PolarHBondContact NZ-OE1 2.9Å; K1089-E1091 PolarHBondContact O-N 3.39Å; K1089-L1092 HydrophobicContact CB-CD1 3.61Å; K1089-L1092 HydrophobicContact CB-CG 4.04Å; K1089-L1092 HydrophobicContact CD-CD1 4.36Å; K1089-L1092 HydrophobicContact CG-CD1 3.98Å; K1089-L1092 PolarHBondContact O-N 3.43Å; K1089-F1093 WeakPolarHBondContact O-CD2 3.28Å | ||
| 1090 | P | 90.5 | Very high | 89.9 | Confident | 34 Ų | 34 | 43.8 Ų | 43.8 | 22% | 0.221 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -61.4 | -29.1 | 177.7 | 26.8 | -34.5 | 0 | 0 | 0 | 113 | V1086 L1092 F1093 N1129 L1130 | V1086-P1090 WeakPolarHBondContact O-CB 3.35Å; V1086-P1090 WeakPolarHBondContact O-CD 3.49Å; P1090-L1092 PolarHBondContact O-N 2.9Å; P1090-F1093 PolarHBondContact O-N 3.23Å; P1090-F1093 VanDerWaalsContact O-N 3.15Å; P1090-N1129 HydrophobicContact CB-CB 4.46Å; P1090-N1129 WeakPolarHBondContact CB-O 3.36Å; P1090-L1130 HydrophobicContact CB-CD2 3.9Å |
| 1091 | E | 89.1 | Confident | 89.6 | Confident | 91 Ų | 91 | 37.7 Ų | 37.7 | 43% | 0.425 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -62.8 | -28 | -175.9 | 71.9 | -84.6 | -153.8 | 0 | 0 | 113.5 | K1089 F1093 H1094 | K1089-E1091 VanDerWaalsContact CA-OE2 3.24Å; K1089-E1091 WeakPolarHBondContact CA-OE2 3.35Å; K1089-E1091 WeakPolarHBondContact CD-OE1 3.33Å; K1089-E1091 WeakPolarHBondContact CE-OE1 3.43Å; K1089-E1091 IonicContact NZ-OE1 2.97Å; K1089-E1091 PolarHBondContact NZ-OE1 2.9Å; K1089-E1091 PolarHBondContact O-N 3.39Å; E1091-F1093 VanDerWaalsContact C-N 3.26Å; E1091-F1093 PolarHBondContact O-N 3.3Å; E1091-H1094 PolarHBondContact O-ND1 3.46Å |
| 1092 | L | 88.1 | Confident | 89.3 | Confident | 28 Ų | 28 | 37.9 Ų | 37.9 | 15% | 0.147 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -73.5 | -18.8 | -179 | -56.8 | 177.3 | 0 | 0 | 0 | 112.8 | W1052 F1056 K1089 P1090 | W1052-L1092 HydrophobicContact CB-CD1 3.65Å; W1052-L1092 HydrophobicContact CD2-CD1 4.34Å; W1052-L1092 HydrophobicContact CE3-CD1 4.47Å; W1052-L1092 HydrophobicContact CG-CD1 4Å; F1056-L1092 HydrophobicContact CB-CD1 4.04Å; F1056-L1092 HydrophobicContact CD1-CB 3.95Å; F1056-L1092 HydrophobicContact CD2-CB 3.67Å; F1056-L1092 HydrophobicContact CD2-CD1 3.49Å; F1056-L1092 VanDerWaalsContact CD2-CD1 3.49Å; F1056-L1092 HydrophobicContact CD2-CG 4.22Å; F1056-L1092 HydrophobicContact CE1-CB 3.81Å; F1056-L1092 WeakPolarHBondContact CE1-O 3.19Å; F1056-L1092 HydrophobicContact CE2-CB 3.51Å; F1056-L1092 HydrophobicContact CE2-CD1 4.09Å; F1056-L1092 HydrophobicContact CE2-CG 4.47Å; F1056-L1092 HydrophobicContact CG-CB 3.88Å; F1056-L1092 HydrophobicContact CG-CD1 3.82Å; F1056-L1092 HydrophobicContact CG-CG 4.37Å; F1056-L1092 HydrophobicContact CZ-CB 3.58Å; F1056-L1092 VanDerWaalsContact CZ-O 3.31Å; F1056-L1092 WeakPolarHBondContact CZ-O 3.41Å; K1089-L1092 HydrophobicContact CB-CD1 3.61Å; K1089-L1092 HydrophobicContact CB-CG 4.04Å; K1089-L1092 HydrophobicContact CD-CD1 4.36Å; K1089-L1092 HydrophobicContact CG-CD1 3.98Å; K1089-L1092 PolarHBondContact O-N 3.43Å; P1090-L1092 PolarHBondContact O-N 2.9Å |
| 1093 | F | 88.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -85.3 | -9.3 | -173.5 | -73.7 | -94 | 0 | 0 | 0 | 114.5 | F1056 L1060 L1085 V1086 K1089 P1090 E1091 D1095 F1096 A1097 F1100 L1130 | F1056-F1093 HydrophobicContact CE2-CD2 4.17Å; F1056-F1093 HydrophobicContact CE2-CE1 4.35Å; F1056-F1093 AromaticContact CE2-CE2 3.84Å; F1056-F1093 HydrophobicContact CE2-CE2 3.84Å; F1056-F1093 AromaticContact CE2-CZ 3.96Å; F1056-F1093 HydrophobicContact CE2-CZ 3.96Å; F1056-F1093 HydrophobicContact CZ-CD1 4.17Å; F1056-F1093 HydrophobicContact CZ-CD2 4.17Å; F1056-F1093 HydrophobicContact CZ-CE1 4.27Å; F1056-F1093 HydrophobicContact CZ-CE2 4.24Å; F1056-F1093 HydrophobicContact CZ-CG 4.15Å; F1056-F1093 HydrophobicContact CZ-CZ 4.31Å; L1060-F1093 HydrophobicContact CD1-CE1 3.82Å; L1085-F1093 HydrophobicContact CB-CZ 4.3Å; L1085-F1093 HydrophobicContact CD2-CE2 4.41Å; L1085-F1093 HydrophobicContact CD2-CZ 3.92Å; L1085-F1093 HydrophobicContact CG-CE2 3.9Å; L1085-F1093 HydrophobicContact CG-CZ 3.81Å; V1086-F1093 HydrophobicContact CB-CD2 4.27Å; V1086-F1093 HydrophobicContact CB-CE2 3.79Å; V1086-F1093 HydrophobicContact CB-CZ 4Å; V1086-F1093 HydrophobicContact CG2-CD2 4.04Å; V1086-F1093 HydrophobicContact CG2-CE2 4.09Å; V1086-F1093 HydrophobicContact CG2-CG 4.44Å; K1089-F1093 WeakPolarHBondContact O-CD2 3.28Å; P1090-F1093 PolarHBondContact O-N 3.23Å; P1090-F1093 VanDerWaalsContact O-N 3.15Å; E1091-F1093 VanDerWaalsContact C-N 3.26Å; E1091-F1093 PolarHBondContact O-N 3.3Å; F1093-D1095 PolarHBondContact O-N 2.89Å; F1093-F1096 CarbonylContact O-C 3.56Å; F1093-F1096 WeakPolarHBondContact O-CA 3.15Å; F1093-F1096 PolarHBondContact O-N 3.19Å; F1093-A1097 WeakPolarHBondContact O-CA 3.39Å; F1093-A1097 WeakPolarHBondContact O-CB 3.4Å; F1093-A1097 PolarHBondContact O-N 2.81Å; F1093-F1100 HydrophobicContact CD1-CB 4.22Å; F1093-F1100 AromaticContact CD1-CD1 3.27Å; F1093-F1100 HydrophobicContact CD1-CD1 3.27Å; F1093-F1100 HydrophobicContact CD1-CD2 4.47Å; F1093-F1100 AromaticContact CD1-CE1 3.6Å; F1093-F1100 HydrophobicContact CD1-CE1 3.6Å; F1093-F1100 AromaticContact CD1-CG 3.76Å; F1093-F1100 HydrophobicContact CD1-CG 3.76Å; F1093-F1100 HydrophobicContact CD1-CZ 4.35Å; F1093-F1100 AromaticContact CE1-CD1 3.51Å; F1093-F1100 HydrophobicContact CE1-CD1 3.51Å; F1093-F1100 HydrophobicContact CE1-CD2 4.04Å; F1093-F1100 AromaticContact CE1-CE1 3.49Å; F1093-F1100 HydrophobicContact CE1-CE1 3.49Å; F1093-F1100 VanDerWaalsContact CE1-CE1 3.49Å; F1093-F1100 HydrophobicContact CE1-CE2 4.06Å; F1093-F1100 AromaticContact CE1-CG 3.78Å; F1093-F1100 HydrophobicContact CE1-CG 3.78Å; F1093-F1100 AromaticContact CE1-CZ 3.78Å; F1093-F1100 HydrophobicContact CE1-CZ 3.78Å; F1093-F1100 HydrophobicContact CG-CD1 4.2Å; F1093-F1100 HydrophobicContact CG-CE1 4.36Å; F1093-F1100 HydrophobicContact CZ-CE1 4.2Å; F1093-F1100 HydrophobicContact CZ-CZ 4.31Å; F1093-L1130 HydrophobicContact CB-CD2 3.91Å |
| 1094 | H | 85 | Confident | 89 | Confident | 92 Ų | 92 | 39.2 Ų | 39.2 | 43% | 0.426 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -50.4 | -55.3 | -174.2 | -71.4 | 95.7 | 0 | 0 | 0 | 113.5 | E1091 F1096 P1131 | E1091-H1094 PolarHBondContact O-ND1 3.46Å; H1094-F1096 PolarHBondContact O-N 2.91Å; H1094-F1096 VanDerWaalsContact O-N 3.14Å; H1094-P1131 WeakPolarHBondContact NE2-CG 3.49Å |
| 1095 | D | 81.3 | Confident | 88.9 | Confident | 125 Ų | 125 | 38.5 Ų | 38.5 | 67% | 0.668 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -62.7 | -18.8 | 177.8 | -64.8 | -10.2 | 0 | 0 | 0 | 114 | F1093 | F1093-D1095 PolarHBondContact O-N 2.89Š|
| 1096 | F | 85.2 | Confident | 88.8 | Confident | 42 Ų | 42 | 41.1 Ų | 41.1 | 18% | 0.184 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -118.2 | -4.6 | -169.6 | -61 | -84.5 | 0 | 0 | 0 | 113.7 | F1056 K1057 L1060 F1093 H1094 Y1098 L1099 F1100 | F1056-F1096 AromaticContact CE1-CD2 3.77Å; F1056-F1096 HydrophobicContact CE1-CD2 3.77Å; F1056-F1096 HydrophobicContact CE1-CE2 4.03Å; K1057-F1096 HydrophobicContact CD-CE2 4.29Å; K1057-F1096 HydrophobicContact CD-CZ 3.85Å; K1057-F1096 HydrophobicContact CG-CE2 4.21Å; K1057-F1096 HydrophobicContact CG-CZ 3.92Å; L1060-F1096 HydrophobicContact CD2-CB 3.69Å; L1060-F1096 HydrophobicContact CD2-CD1 3.91Å; L1060-F1096 HydrophobicContact CD2-CD2 4.27Å; L1060-F1096 HydrophobicContact CD2-CG 3.68Å; F1093-F1096 CarbonylContact O-C 3.56Å; F1093-F1096 WeakPolarHBondContact O-CA 3.15Å; F1093-F1096 PolarHBondContact O-N 3.19Å; H1094-F1096 PolarHBondContact O-N 2.91Å; H1094-F1096 VanDerWaalsContact O-N 3.14Å; F1096-Y1098 PolarHBondContact O-N 2.85Å; F1096-Y1098 VanDerWaalsContact O-N 3.17Å; F1096-L1099 PolarHBondContact O-N 3.47Å; F1096-F1100 WeakPolarHBondContact O-CB 3.47Å; F1096-F1100 PolarHBondContact O-N 2.69Å |
| 1097 | A | 85.6 | Confident | 88.8 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59 | -37.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1093 F1100 V1101 L1130 L1134 | F1093-A1097 WeakPolarHBondContact O-CA 3.39Å; F1093-A1097 WeakPolarHBondContact O-CB 3.4Å; F1093-A1097 PolarHBondContact O-N 2.81Å; A1097-F1100 PolarHBondContact O-N 2.7Å; A1097-V1101 VanDerWaalsContact O-CB 3.25Å; A1097-V1101 WeakPolarHBondContact O-CB 3.45Å; A1097-V1101 WeakPolarHBondContact O-CG2 3.44Å; A1097-V1101 PolarHBondContact O-N 3.18Å; A1097-L1130 HydrophobicContact CB-CD1 4.24Å; A1097-L1134 HydrophobicContact CB-CD1 4.2Å; A1097-L1134 HydrophobicContact CB-CD2 3.58Å; A1097-L1134 HydrophobicContact CB-CG 3.87Å |
| 1098 | Y | 84.1 | Confident | 88.8 | Confident | 64 Ų | 64 | 37.6 Ų | 37.6 | 25% | 0.251 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.8 | -57.6 | 173.9 | -156 | -57.8 | 0 | 0 | 0 | 111.4 | L983 F1096 F1100 I1102 V1138 L1142 | L983-Y1098 HydrophobicContact CB-CE1 3.65Å; L983-Y1098 HydrophobicContact CD1-CD1 3.77Å; L983-Y1098 HydrophobicContact CD1-CE1 3.15Å; L983-Y1098 HydrophobicContact CD2-CD1 4.32Å; L983-Y1098 HydrophobicContact CD2-CE1 3.95Å; L983-Y1098 HydrophobicContact CG-CD1 4.45Å; L983-Y1098 HydrophobicContact CG-CE1 3.7Å; F1096-Y1098 PolarHBondContact O-N 2.85Å; F1096-Y1098 VanDerWaalsContact O-N 3.17Å; Y1098-F1100 VanDerWaalsContact C-N 3.33Å; Y1098-F1100 PolarHBondContact O-N 2.89Å; Y1098-I1102 HydrophobicContact CD1-CD1 3.6Å; Y1098-I1102 HydrophobicContact CE1-CD1 3.43Å; Y1098-I1102 VanDerWaalsContact CE1-CD1 3.43Å; Y1098-I1102 WeakPolarHBondContact O-CD1 3.25Å; Y1098-I1102 PolarHBondContact O-N 3.42Å; Y1098-V1138 HydrophobicContact CD2-CG2 4.03Å; Y1098-V1138 HydrophobicContact CG-CG2 4.32Å; Y1098-L1142 HydrophobicContact CE1-CD2 4.49Å |
| 1099 | L | 85.3 | Confident | 88.7 | Confident | 59 Ų | 59 | 38.6 Ų | 38.6 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.8 | -42.5 | -179.9 | 175 | 62.7 | 0 | 0 | 0 | 111.8 | L1064 F1096 K1103 | L1064-L1099 HydrophobicContact CD1-CD2 4.08Å; L1064-L1099 HydrophobicContact CD1-CG 4.11Å; F1096-L1099 PolarHBondContact O-N 3.47Å; L1099-K1103 HydrophobicContact CD1-CG 4.34Å; L1099-K1103 VanDerWaalsContact O-CG 3.26Å; L1099-K1103 WeakPolarHBondContact O-CG 3.39Å; L1099-K1103 PolarHBondContact O-N 3.2Å |
| 1100 | F | 90.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.8 | -48.5 | -178.5 | 172.7 | -133.6 | 0 | 0 | 0 | 112.3 | L1064 L1082 V1086 F1093 F1096 A1097 Y1098 I1102 K1103 V1104 V1126 | L1064-F1100 HydrophobicContact CD2-CD2 4.36Å; L1082-F1100 HydrophobicContact CB-CE2 4.02Å; L1082-F1100 HydrophobicContact CB-CZ 4.48Å; L1082-F1100 HydrophobicContact CD1-CE2 4.31Å; L1082-F1100 HydrophobicContact CD2-CE2 4.15Å; L1082-F1100 HydrophobicContact CG-CE2 4.39Å; V1086-F1100 HydrophobicContact CB-CE1 4.11Å; V1086-F1100 HydrophobicContact CB-CZ 4.23Å; V1086-F1100 HydrophobicContact CG1-CZ 4.41Å; V1086-F1100 HydrophobicContact CG2-CE1 3.96Å; F1093-F1100 HydrophobicContact CD1-CB 4.22Å; F1093-F1100 AromaticContact CD1-CD1 3.27Å; F1093-F1100 HydrophobicContact CD1-CD1 3.27Å; F1093-F1100 HydrophobicContact CD1-CD2 4.47Å; F1093-F1100 AromaticContact CD1-CE1 3.6Å; F1093-F1100 HydrophobicContact CD1-CE1 3.6Å; F1093-F1100 AromaticContact CD1-CG 3.76Å; F1093-F1100 HydrophobicContact CD1-CG 3.76Å; F1093-F1100 HydrophobicContact CD1-CZ 4.35Å; F1093-F1100 AromaticContact CE1-CD1 3.51Å; F1093-F1100 HydrophobicContact CE1-CD1 3.51Å; F1093-F1100 HydrophobicContact CE1-CD2 4.04Å; F1093-F1100 AromaticContact CE1-CE1 3.49Å; F1093-F1100 HydrophobicContact CE1-CE1 3.49Å; F1093-F1100 VanDerWaalsContact CE1-CE1 3.49Å; F1093-F1100 HydrophobicContact CE1-CE2 4.06Å; F1093-F1100 AromaticContact CE1-CG 3.78Å; F1093-F1100 HydrophobicContact CE1-CG 3.78Å; F1093-F1100 AromaticContact CE1-CZ 3.78Å; F1093-F1100 HydrophobicContact CE1-CZ 3.78Å; F1093-F1100 HydrophobicContact CG-CD1 4.2Å; F1093-F1100 HydrophobicContact CG-CE1 4.36Å; F1093-F1100 HydrophobicContact CZ-CE1 4.2Å; F1093-F1100 HydrophobicContact CZ-CZ 4.31Å; F1096-F1100 WeakPolarHBondContact O-CB 3.47Å; F1096-F1100 PolarHBondContact O-N 2.69Å; A1097-F1100 PolarHBondContact O-N 2.7Å; Y1098-F1100 VanDerWaalsContact C-N 3.33Å; Y1098-F1100 PolarHBondContact O-N 2.89Å; F1100-I1102 PolarHBondContact O-N 3.24Å; F1100-K1103 PolarHBondContact O-N 2.94Å; F1100-K1103 VanDerWaalsContact O-N 3.15Å; F1100-V1104 HydrophobicContact CD2-CG2 3.88Å; F1100-V1104 HydrophobicContact CE2-CG2 3.48Å; F1100-V1104 VanDerWaalsContact CE2-CG2 3.48Å; F1100-V1104 HydrophobicContact CZ-CG2 4.08Å; F1100-V1104 WeakPolarHBondContact O-CG2 3.48Å; F1100-V1104 PolarHBondContact O-N 2.92Å; F1100-V1126 HydrophobicContact CE1-CG1 4.34Å; F1100-V1126 HydrophobicContact CE1-CG2 3.53Å; F1100-V1126 HydrophobicContact CZ-CG2 3.65Å |
| 1101 | V | 90.2 | Very high | 88.8 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | -179.2 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | A1097 K1103 V1104 L1105 V1126 V1138 L1139 M1157 | A1097-V1101 VanDerWaalsContact O-CB 3.25Å; A1097-V1101 WeakPolarHBondContact O-CB 3.45Å; A1097-V1101 WeakPolarHBondContact O-CG2 3.44Å; A1097-V1101 PolarHBondContact O-N 3.18Å; V1101-K1103 VanDerWaalsContact C-N 3.32Å; V1101-K1103 PolarHBondContact O-N 2.93Å; V1101-V1104 PolarHBondContact O-N 3.14Å; V1101-L1105 HydrophobicContact CG1-CD1 3.63Å; V1101-L1105 HydrophobicContact CG1-CG 4.18Å; V1101-L1105 WeakPolarHBondContact O-CB 3.47Å; V1101-L1105 WeakPolarHBondContact O-CG 3.42Å; V1101-L1105 PolarHBondContact O-N 2.95Å; V1101-V1126 HydrophobicContact CG2-CG1 4.18Å; V1101-V1138 HydrophobicContact CB-CG1 3.91Å; V1101-V1138 HydrophobicContact CG1-CG1 3.75Å; V1101-V1138 HydrophobicContact CG2-CG1 4.47Å; V1101-L1139 HydrophobicContact CG1-CD2 4.18Å; V1101-M1157 HydrophobicContact CG1-CE 4.44Å; V1101-M1157 HydrophobicContact CG1-SD 4.2Å; V1101-M1157 HydrophobicContact CG2-CE 4.3Å |
| 1102 | I | 88.7 | Confident | 89 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61 | -42.1 | 175.3 | -78.8 | 81.6 | 0 | 0 | 0 | 111 | L983 I984 Y1098 F1100 V1104 L1105 E1106 V1138 L1142 I1150 | L983-I1102 HydrophobicContact CB-CD1 4.26Å; L983-I1102 HydrophobicContact CB-CG1 4.16Å; L983-I1102 HydrophobicContact CD2-CB 3.95Å; L983-I1102 HydrophobicContact CD2-CD1 3.91Å; L983-I1102 HydrophobicContact CD2-CG1 3.66Å; L983-I1102 HydrophobicContact CD2-CG2 3.93Å; I984-I1102 HydrophobicContact CG1-CG1 4.32Å; Y1098-I1102 HydrophobicContact CD1-CD1 3.6Å; Y1098-I1102 HydrophobicContact CE1-CD1 3.43Å; Y1098-I1102 VanDerWaalsContact CE1-CD1 3.43Å; Y1098-I1102 WeakPolarHBondContact O-CD1 3.25Å; Y1098-I1102 PolarHBondContact O-N 3.42Å; F1100-I1102 PolarHBondContact O-N 3.24Å; I1102-V1104 VanDerWaalsContact C-N 3.32Å; I1102-V1104 PolarHBondContact O-N 3.39Å; I1102-L1105 PolarHBondContact O-N 2.8Å; I1102-E1106 HydrophobicContact CG2-CG 3.98Å; I1102-E1106 WeakPolarHBondContact O-CB 3.25Å; I1102-E1106 WeakPolarHBondContact O-CG 3.5Å; I1102-E1106 PolarHBondContact O-N 2.7Å; I1102-V1138 HydrophobicContact CD1-CG1 4.23Å; I1102-L1142 HydrophobicContact CD1-CD1 3.46Å; I1102-L1142 VanDerWaalsContact CD1-CD1 3.46Å; I1102-L1142 HydrophobicContact CD1-CD2 3.87Å; I1102-L1142 HydrophobicContact CD1-CG 4.31Å; I1102-L1142 HydrophobicContact CG1-CD1 3.92Å; I1102-L1142 HydrophobicContact CG1-CD2 4.08Å; I1102-I1150 HydrophobicContact CG1-CD1 4.4Å; I1102-I1150 HydrophobicContact CG2-CD1 4.13Å |
| 1103 | K | 89.7 | Confident | 89.2 | Confident | 54 Ų | 54 | 46.8 Ų | 46.8 | 24% | 0.235 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.1 | -33.9 | -179.4 | -71.9 | -73.7 | 156.1 | -145.9 | 0 | 113.2 | L1064 L1067 L1099 F1100 V1101 E1106 A1107 | L1064-K1103 HydrophobicContact CD2-CB 3.68Å; L1064-K1103 HydrophobicContact CD2-CG 4.05Å; L1067-K1103 HydrophobicContact CD1-CB 4.1Å; L1099-K1103 HydrophobicContact CD1-CG 4.34Å; L1099-K1103 VanDerWaalsContact O-CG 3.26Å; L1099-K1103 WeakPolarHBondContact O-CG 3.39Å; L1099-K1103 PolarHBondContact O-N 3.2Å; F1100-K1103 PolarHBondContact O-N 2.94Å; F1100-K1103 VanDerWaalsContact O-N 3.15Å; V1101-K1103 VanDerWaalsContact C-N 3.32Å; V1101-K1103 PolarHBondContact O-N 2.93Å; K1103-E1106 WeakPolarHBondContact CD-OE2 3.2Å; K1103-E1106 WeakPolarHBondContact CE-OE2 3.36Å; K1103-E1106 IonicContact NZ-OE1 3.19Å; K1103-E1106 IonicContact NZ-OE2 3.64Å; K1103-E1106 PolarHBondContact NZ-OE2 3.14Å; K1103-A1107 WeakPolarHBondContact O-CB 3.39Å; K1103-A1107 PolarHBondContact O-N 3.45Å |
| 1104 | V | 93.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.4 | -45.6 | 171.2 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | F1100 V1101 I1102 E1106 A1107 C1108 C1122 A1123 | F1100-V1104 HydrophobicContact CD2-CG2 3.88Å; F1100-V1104 HydrophobicContact CE2-CG2 3.48Å; F1100-V1104 VanDerWaalsContact CE2-CG2 3.48Å; F1100-V1104 HydrophobicContact CZ-CG2 4.08Å; F1100-V1104 WeakPolarHBondContact O-CG2 3.48Å; F1100-V1104 PolarHBondContact O-N 2.92Å; V1101-V1104 PolarHBondContact O-N 3.14Å; I1102-V1104 VanDerWaalsContact C-N 3.32Å; I1102-V1104 PolarHBondContact O-N 3.39Å; V1104-E1106 VanDerWaalsContact C-N 3.35Å; V1104-E1106 PolarHBondContact O-N 2.76Å; V1104-A1107 WeakPolarHBondContact O-CB 3.37Å; V1104-A1107 PolarHBondContact O-N 3.31Å; V1104-A1107 VanDerWaalsContact O-N 3.13Å; V1104-C1108 PolarHBondContact O-N 2.94Å; V1104-C1108 PolarHBondContact O-SG 3.13Å; V1104-C1122 HydrophobicContact CG1-CB 4.17Å; V1104-A1123 HydrophobicContact CG1-CB 3.87Å |
| 1105 | L | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.1 | -30.7 | 179.9 | -68.2 | 173.5 | 0 | 0 | 0 | 113.5 | V1101 I1102 C1108 L1139 L1142 I1150 P1153 A1154 M1157 | V1101-L1105 HydrophobicContact CG1-CD1 3.63Å; V1101-L1105 HydrophobicContact CG1-CG 4.18Å; V1101-L1105 WeakPolarHBondContact O-CB 3.47Å; V1101-L1105 WeakPolarHBondContact O-CG 3.42Å; V1101-L1105 PolarHBondContact O-N 2.95Å; I1102-L1105 PolarHBondContact O-N 2.8Å; L1105-C1108 WeakPolarHBondContact O-CB 3.19Å; L1105-L1139 HydrophobicContact CD1-CD2 3.81Å; L1105-L1142 HydrophobicContact CD1-CD1 4.31Å; L1105-I1150 HydrophobicContact CB-CB 4.4Å; L1105-I1150 HydrophobicContact CB-CD1 3.53Å; L1105-I1150 HydrophobicContact CB-CG1 4.17Å; L1105-I1150 HydrophobicContact CD1-CD1 4.36Å; L1105-P1153 HydrophobicContact CD2-CB 3.84Å; L1105-P1153 HydrophobicContact CD2-CG 4.4Å; L1105-A1154 HydrophobicContact CD1-CB 4.19Å; L1105-M1157 HydrophobicContact CD2-CB 4.2Å; L1105-M1157 HydrophobicContact CD2-SD 3.99Å; L1105-M1157 HydrophobicContact CG-SD 4.41Å |
| 1106 | E | 90.3 | Very high | 90.5 | Very high | 55 Ų | 55 | 40.6 Ų | 40.6 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.2 | -44.1 | 168.5 | -76.4 | 174.1 | 169.7 | 0 | 0 | 111.2 | Y986 I1102 K1103 V1104 C1108 R1109 I1150 | Y986-E1106 HydrophobicContact CE2-CG 4.47Å; I1102-E1106 HydrophobicContact CG2-CG 3.98Å; I1102-E1106 WeakPolarHBondContact O-CB 3.25Å; I1102-E1106 WeakPolarHBondContact O-CG 3.5Å; I1102-E1106 PolarHBondContact O-N 2.7Å; K1103-E1106 WeakPolarHBondContact CD-OE2 3.2Å; K1103-E1106 WeakPolarHBondContact CE-OE2 3.36Å; K1103-E1106 IonicContact NZ-OE1 3.19Å; K1103-E1106 IonicContact NZ-OE2 3.64Å; K1103-E1106 PolarHBondContact NZ-OE2 3.14Å; V1104-E1106 VanDerWaalsContact C-N 3.35Å; V1104-E1106 PolarHBondContact O-N 2.76Å; E1106-C1108 PolarHBondContact O-N 3.16Å; E1106-R1109 PolarHBondContact O-N 3.43Å; E1106-I1150 HydrophobicContact CG-CD1 4.2Å; E1106-I1150 HydrophobicContact CG-CG2 4.37Å |
| 1107 | A | 92.9 | Very high | 91 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 8% | 0.083 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.5 | -24.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1079 K1103 V1104 R1109 D1110 A1119 | L1079-A1107 HydrophobicContact CD1-CB 4.12Å; L1079-A1107 HydrophobicContact CD2-CB 3.95Å; K1103-A1107 WeakPolarHBondContact O-CB 3.39Å; K1103-A1107 PolarHBondContact O-N 3.45Å; V1104-A1107 WeakPolarHBondContact O-CB 3.37Å; V1104-A1107 PolarHBondContact O-N 3.31Å; V1104-A1107 VanDerWaalsContact O-N 3.13Å; A1107-R1109 PolarHBondContact O-N 3.21Å; A1107-D1110 WeakPolarHBondContact O-CB 3.18Å; A1107-D1110 PolarHBondContact O-N 2.93Å; A1107-D1110 VanDerWaalsContact O-N 3.15Å; A1107-A1119 VanDerWaalsContact C-CB 3.4Å; A1107-A1119 HydrophobicContact CB-CB 3.74Å |
| 1108 | C | 93.3 | Very high | 91.5 | Very high | 15 Ų | 15 | 46.8 Ų | 46.8 | 10% | 0.101 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -4 | 168.3 | -65.5 | 0 | 0 | 0 | 0 | 113.8 | V1104 L1105 E1106 A1119 P1153 | V1104-C1108 PolarHBondContact O-N 2.94Å; V1104-C1108 PolarHBondContact O-SG 3.13Å; L1105-C1108 WeakPolarHBondContact O-CB 3.19Å; E1106-C1108 PolarHBondContact O-N 3.16Å; C1108-A1119 HydrophobicContact CB-CB 4.38Å; C1108-P1153 HydrophobicContact CB-CB 3.65Å; C1108-P1153 HydrophobicContact CB-CG 4.08Å |
| 1109 | R | 89.6 | Confident | 92 | Very high | 68 Ų | 68 | 43.8 Ų | 43.8 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 22.3 | 175.6 | -57.7 | -177 | 75.4 | -120.7 | 14 | 113.1 | E1106 A1107 H1149 P1153 | E1106-R1109 PolarHBondContact O-N 3.43Å; A1107-R1109 PolarHBondContact O-N 3.21Å; R1109-H1149 WeakPolarHBondContact CD-O 3.4Å; R1109-H1149 PolarHBondContact NE-O 2.8Å; R1109-P1153 HydrophobicContact CG-CG 4.38Å |
| 1110 | D | 91.5 | Very high | 92.5 | Very high | 32 Ų | 32 | 44 Ų | 44 | 17% | 0.171 | 22% | 0.216 | C | C | . | . | trans | -59.1 | 153.2 | 170 | -162.6 | -68.3 | 0 | 0 | 0 | 111.4 | R1075 A1107 E1112 V1115 V1116 | R1075-D1110 IonicContact CZ-OD1 3.99Å; R1075-D1110 IonicContact CZ-OD2 3.13Å; R1075-D1110 IonicContact NE-OD1 3.82Å; R1075-D1110 IonicContact NE-OD2 2.75Å; R1075-D1110 PolarHBondContact NE-OD2 3.23Å; R1075-D1110 IonicContact NH2-OD1 2.63Å; R1075-D1110 PolarHBondContact NH2-OD1 3.36Å; R1075-D1110 IonicContact NH2-OD2 2.72Å; R1075-D1110 PolarHBondContact NH2-OD2 3.15Å; R1075-D1110 VanDerWaalsContact NH2-OD2 3.12Å; A1107-D1110 WeakPolarHBondContact O-CB 3.18Å; A1107-D1110 PolarHBondContact O-N 2.93Å; A1107-D1110 VanDerWaalsContact O-N 3.15Å; D1110-E1112 PolarHBondContact O-N 3.37Å; D1110-E1112 WeakPolarHBondContact OD1-CB 3.43Å; D1110-E1112 PolarHBondContact OD1-N 3.13Å; D1110-V1115 HydrophobicContact CB-CB 3.88Å; D1110-V1115 HydrophobicContact CB-CG1 3.8Å; D1110-V1115 WeakPolarHBondContact OD2-CG1 3.47Å; D1110-V1116 HydrophobicContact CB-CG2 4.09Å; D1110-V1116 WeakPolarHBondContact O-CG2 3.41Å | ||
| 1111 | S | 89.4 | Confident | 92.7 | Very high | 98 Ų | 98 | 46.8 Ų | 46.8 | 69% | 0.685 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -64.4 | -24.5 | 173.6 | 48.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1112 | E | 93 | Very high | 93 | Very high | 73 Ų | 73 | 46.7 Ų | 46.7 | 34% | 0.341 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -102.4 | 118.7 | -170.6 | -71.5 | -83.6 | -152.4 | 0 | 0 | 112.3 | H1072 D1110 S1114 V1115 V1116 | H1072-E1112 HydrophobicContact CB-CB 3.93Å; H1072-E1112 HydrophobicContact CB-CG 3.71Å; H1072-E1112 IonicContact CE1-OE1 2.74Å; H1072-E1112 IonicContact CG-OE1 3.07Å; H1072-E1112 IonicContact ND1-OE1 2.69Å; H1072-E1112 PolarHBondContact ND1-OE1 3.02Å; D1110-E1112 PolarHBondContact O-N 3.37Å; D1110-E1112 WeakPolarHBondContact OD1-CB 3.43Å; D1110-E1112 PolarHBondContact OD1-N 3.13Å; E1112-S1114 PolarHBondContact O-N 2.94Å; E1112-S1114 VanDerWaalsContact O-N 3.09Å; E1112-V1115 HydrophobicContact CB-CB 4.37Å; E1112-V1115 HydrophobicContact CB-CG2 3.84Å; E1112-V1115 WeakPolarHBondContact O-CA 3.23Å; E1112-V1115 WeakPolarHBondContact O-CB 3.47Å; E1112-V1115 PolarHBondContact O-N 2.83Å; E1112-V1116 PolarHBondContact O-N 3.26Å |
| 1113 | K | 92.7 | Very high | 93.3 | Very high | 186 Ų | 186 | 46.9 Ų | 46.9 | 81% | 0.809 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -59.6 | -27 | -174.7 | -64.8 | -179.3 | -179.2 | 177.4 | 0 | 113.8 | R1117 | K1113-R1117 WeakPolarHBondContact O-CB 3.28Å; K1113-R1117 PolarHBondContact O-N 3.47Å |
| 1114 | S | 93 | Very high | 93.6 | Very high | 54 Ų | 54 | 47.1 Ų | 47.1 | 38% | 0.378 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69 | -36.9 | 174.4 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | E1112 A1118 | E1112-S1114 PolarHBondContact O-N 2.94Å; E1112-S1114 VanDerWaalsContact O-N 3.09Å; S1114-A1118 WeakPolarHBondContact O-CB 3.46Å; S1114-A1118 PolarHBondContact O-N 3.08Å |
| 1115 | V | 94.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74.8 | -47.4 | 175.5 | -172 | 0 | 0 | 0 | 0 | 109.9 | H1072 R1075 A1076 L1079 D1110 E1112 R1117 A1118 A1119 | H1072-V1115 HydrophobicContact CB-CG2 3.94Å; H1072-V1115 WeakPolarHBondContact O-CG2 3.38Å; R1075-V1115 HydrophobicContact CB-CG1 3.95Å; R1075-V1115 HydrophobicContact CB-CG2 3.98Å; A1076-V1115 HydrophobicContact CB-CG2 4.14Å; L1079-V1115 HydrophobicContact CD1-CG1 3.56Å; L1079-V1115 WeakPolarHBondContact CD1-O 3.35Å; D1110-V1115 HydrophobicContact CB-CB 3.88Å; D1110-V1115 HydrophobicContact CB-CG1 3.8Å; D1110-V1115 WeakPolarHBondContact OD2-CG1 3.47Å; E1112-V1115 HydrophobicContact CB-CB 4.37Å; E1112-V1115 HydrophobicContact CB-CG2 3.84Å; E1112-V1115 WeakPolarHBondContact O-CA 3.23Å; E1112-V1115 WeakPolarHBondContact O-CB 3.47Å; E1112-V1115 PolarHBondContact O-N 2.83Å; V1115-R1117 VanDerWaalsContact C-N 3.31Å; V1115-R1117 PolarHBondContact O-N 3.37Å; V1115-A1118 CarbonylContact O-C 3.56Å; V1115-A1118 PolarHBondContact O-N 3.21Å; V1115-A1118 VanDerWaalsContact O-N 3.12Å; V1115-A1119 WeakPolarHBondContact O-CB 3.33Å; V1115-A1119 PolarHBondContact O-N 3.05Å |
| 1116 | V | 94.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 20% | 0.2 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55 | -46.3 | 176.1 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | D1110 E1112 A1119 E1120 | D1110-V1116 HydrophobicContact CB-CG2 4.09Å; D1110-V1116 WeakPolarHBondContact O-CG2 3.41Å; E1112-V1116 PolarHBondContact O-N 3.26Å; V1116-A1119 WeakPolarHBondContact O-CB 3.47Å; V1116-A1119 PolarHBondContact O-N 3.37Å; V1116-A1119 VanDerWaalsContact O-N 3.17Å; V1116-E1120 PolarHBondContact O-N 2.83Å |
| 1117 | R | 96.1 | Very high | 93.8 | Very high | 172 Ų | 172 | 44.9 Ų | 44.9 | 65% | 0.649 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.5 | -45.2 | 177.3 | -173.7 | 173.3 | -174.4 | 137.9 | 6.1 | 112.2 | K1113 V1115 A1119 E1120 D1121 | K1113-R1117 WeakPolarHBondContact O-CB 3.28Å; K1113-R1117 PolarHBondContact O-N 3.47Å; V1115-R1117 VanDerWaalsContact C-N 3.31Å; V1115-R1117 PolarHBondContact O-N 3.37Å; R1117-A1119 PolarHBondContact O-N 2.97Å; R1117-E1120 PolarHBondContact O-N 3.07Å; R1117-D1121 WeakPolarHBondContact O-CB 3.47Å; R1117-D1121 PolarHBondContact O-N 3.39Å |
| 1118 | A | 95.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.017 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.4 | -29.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1076 L1079 S1114 V1115 C1122 | A1076-A1118 HydrophobicContact CB-CB 4.27Å; L1079-A1118 HydrophobicContact CB-CB 3.94Å; L1079-A1118 HydrophobicContact CD1-CB 3.99Å; S1114-A1118 WeakPolarHBondContact O-CB 3.46Å; S1114-A1118 PolarHBondContact O-N 3.08Å; V1115-A1118 CarbonylContact O-C 3.56Å; V1115-A1118 PolarHBondContact O-N 3.21Å; V1115-A1118 VanDerWaalsContact O-N 3.12Å; A1118-C1122 WeakPolarHBondContact O-CB 3.27Å; A1118-C1122 PolarHBondContact O-N 3.49Å |
| 1119 | A | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.4 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L1079 A1107 C1108 V1115 V1116 R1117 C1122 A1123 | L1079-A1119 HydrophobicContact CD1-CB 3.89Å; L1079-A1119 HydrophobicContact CD2-CB 4.33Å; A1107-A1119 VanDerWaalsContact C-CB 3.4Å; A1107-A1119 HydrophobicContact CB-CB 3.74Å; C1108-A1119 HydrophobicContact CB-CB 4.38Å; V1115-A1119 WeakPolarHBondContact O-CB 3.33Å; V1115-A1119 PolarHBondContact O-N 3.05Å; V1116-A1119 WeakPolarHBondContact O-CB 3.47Å; V1116-A1119 PolarHBondContact O-N 3.37Å; V1116-A1119 VanDerWaalsContact O-N 3.17Å; R1117-A1119 PolarHBondContact O-N 2.97Å; A1119-C1122 PolarHBondContact O-N 3.43Å; A1119-A1123 WeakPolarHBondContact O-CB 3.4Å; A1119-A1123 PolarHBondContact O-N 3.42Å |
| 1120 | E | 95.1 | Very high | 93.8 | Very high | 64 Ų | 64 | 49.2 Ų | 49.2 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 172.3 | -68.7 | -170.4 | 124.7 | 0 | 0 | 111.5 | V1116 R1117 C1122 A1123 N1124 K1156 | V1116-E1120 PolarHBondContact O-N 2.83Å; R1117-E1120 PolarHBondContact O-N 3.07Å; E1120-C1122 VanDerWaalsContact C-N 3.28Å; E1120-C1122 PolarHBondContact O-N 3.32Å; E1120-A1123 PolarHBondContact O-N 2.94Å; E1120-N1124 WeakPolarHBondContact O-CB 3.31Å; E1120-N1124 PolarHBondContact O-N 2.91Å; E1120-N1124 PolarHBondContact O-ND2 3.36Å; E1120-K1156 IonicContact OE1-NZ 2.94Å; E1120-K1156 PolarHBondContact OE1-NZ 3.08Å |
| 1121 | D | 95.7 | Very high | 93.7 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 32% | 0.316 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 174.1 | -68.8 | -27.4 | 0 | 0 | 0 | 111.2 | Q1083 R1117 T1125 | Q1083-D1121 PolarHBondContact NE2-O 3.4Å; R1117-D1121 WeakPolarHBondContact O-CB 3.47Å; R1117-D1121 PolarHBondContact O-N 3.39Å; D1121-T1125 PolarHBondContact O-N 3.42Å; D1121-T1125 PolarHBondContact O-OG1 3.41Å |
| 1122 | C | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.7 | -49.8 | 172.7 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | Q1083 V1104 A1118 A1119 E1120 N1124 T1125 V1126 | Q1083-C1122 HydrophobicContact CB-CB 4.23Å; V1104-C1122 HydrophobicContact CG1-CB 4.17Å; A1118-C1122 WeakPolarHBondContact O-CB 3.27Å; A1118-C1122 PolarHBondContact O-N 3.49Å; A1119-C1122 PolarHBondContact O-N 3.43Å; E1120-C1122 VanDerWaalsContact C-N 3.28Å; E1120-C1122 PolarHBondContact O-N 3.32Å; C1122-N1124 VanDerWaalsContact C-N 3.31Å; C1122-N1124 PolarHBondContact O-N 3.11Å; C1122-T1125 CarbonylContact O-C 3.59Å; C1122-T1125 WeakPolarHBondContact O-CA 3.48Å; C1122-T1125 WeakPolarHBondContact O-CB 3.17Å; C1122-T1125 PolarHBondContact O-N 2.98Å; C1122-V1126 WeakPolarHBondContact O-CG2 3.33Å; C1122-V1126 PolarHBondContact O-N 2.87Å |
| 1123 | A | 95 | Very high | 93.7 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.6 | -41.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1104 A1119 E1120 T1125 V1126 A1127 M1157 | V1104-A1123 HydrophobicContact CG1-CB 3.87Å; A1119-A1123 WeakPolarHBondContact O-CB 3.4Å; A1119-A1123 PolarHBondContact O-N 3.42Å; E1120-A1123 PolarHBondContact O-N 2.94Å; A1123-T1125 VanDerWaalsContact C-N 3.33Å; A1123-T1125 PolarHBondContact O-N 3.12Å; A1123-V1126 PolarHBondContact O-N 2.95Å; A1123-A1127 WeakPolarHBondContact O-CB 3.47Å; A1123-A1127 PolarHBondContact O-N 3.43Å; A1123-M1157 HydrophobicContact CB-SD 4.32Å |
| 1124 | N | 94.7 | Very high | 93.5 | Very high | 59 Ų | 59 | 43.5 Ų | 43.5 | 32% | 0.316 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.5 | -41.5 | 173 | -66.8 | -24.5 | 0 | 0 | 0 | 111.5 | E1120 C1122 A1127 Q1128 | E1120-N1124 WeakPolarHBondContact O-CB 3.31Å; E1120-N1124 PolarHBondContact O-N 2.91Å; E1120-N1124 PolarHBondContact O-ND2 3.36Å; C1122-N1124 VanDerWaalsContact C-N 3.31Å; C1122-N1124 PolarHBondContact O-N 3.11Å; N1124-A1127 PolarHBondContact O-N 3.23Å; N1124-Q1128 VanDerWaalsContact O-CG 3.3Å; N1124-Q1128 WeakPolarHBondContact O-CG 3.43Å; N1124-Q1128 PolarHBondContact O-N 3.48Å |
| 1125 | T | 94.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.7 | -40.3 | 176.8 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | Q1083 V1086 R1087 D1121 C1122 A1123 Q1128 N1129 | Q1083-T1125 HydrophobicContact CG-CG2 3.99Å; Q1083-T1125 WeakPolarHBondContact CG-OG1 3.25Å; Q1083-T1125 PolarHBondContact NE2-OG1 2.94Å; V1086-T1125 HydrophobicContact CG1-CG2 4.1Å; R1087-T1125 HydrophobicContact CB-CG2 4.08Å; D1121-T1125 PolarHBondContact O-N 3.42Å; D1121-T1125 PolarHBondContact O-OG1 3.41Å; C1122-T1125 CarbonylContact O-C 3.59Å; C1122-T1125 WeakPolarHBondContact O-CA 3.48Å; C1122-T1125 WeakPolarHBondContact O-CB 3.17Å; C1122-T1125 PolarHBondContact O-N 2.98Å; A1123-T1125 VanDerWaalsContact C-N 3.33Å; A1123-T1125 PolarHBondContact O-N 3.12Å; T1125-Q1128 PolarHBondContact O-N 2.9Å; T1125-N1129 WeakPolarHBondContact O-CB 3.32Å; T1125-N1129 PolarHBondContact O-N 3.48Å; T1125-N1129 PolarHBondContact O-ND2 3.31Å |
| 1126 | V | 93.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | V1086 F1100 V1101 C1122 A1123 Q1128 N1129 L1130 M1157 | V1086-V1126 HydrophobicContact CG1-CG2 4.02Å; V1086-V1126 HydrophobicContact CG2-CG2 4.39Å; F1100-V1126 HydrophobicContact CE1-CG1 4.34Å; F1100-V1126 HydrophobicContact CE1-CG2 3.53Å; F1100-V1126 HydrophobicContact CZ-CG2 3.65Å; V1101-V1126 HydrophobicContact CG2-CG1 4.18Å; C1122-V1126 WeakPolarHBondContact O-CG2 3.33Å; C1122-V1126 PolarHBondContact O-N 2.87Å; A1123-V1126 PolarHBondContact O-N 2.95Å; V1126-Q1128 PolarHBondContact O-N 3.41Å; V1126-Q1128 VanDerWaalsContact O-N 3.15Å; V1126-N1129 PolarHBondContact O-N 3.22Å; V1126-L1130 HydrophobicContact CG1-CB 4.44Å; V1126-L1130 HydrophobicContact CG1-CD1 3.58Å; V1126-L1130 HydrophobicContact CG1-CG 3.89Å; V1126-L1130 PolarHBondContact O-N 3.45Å; V1126-M1157 HydrophobicContact CB-CE 3.77Å; V1126-M1157 HydrophobicContact CG1-CE 3.44Å; V1126-M1157 VanDerWaalsContact CG1-CE 3.44Å |
| 1127 | A | 92.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.1 | -10.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1123 N1124 M1157 Q1160 V1161 N1164 | A1123-A1127 WeakPolarHBondContact O-CB 3.47Å; A1123-A1127 PolarHBondContact O-N 3.43Å; N1124-A1127 PolarHBondContact O-N 3.23Å; A1127-M1157 HydrophobicContact CB-CE 4.42Å; A1127-M1157 HydrophobicContact CB-CG 4.28Å; A1127-Q1160 HydrophobicContact CB-CB 3.92Å; A1127-V1161 HydrophobicContact CB-CG2 3.69Å; A1127-N1164 PolarHBondContact O-ND2 2.67Å |
| 1128 | Q | 92.7 | Very high | 92.7 | Very high | 124 Ų | 124 | 35.6 Ų | 35.6 | 58% | 0.579 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -102.7 | -24.2 | 175.6 | -73.4 | 171.1 | -10 | 0 | 0 | 113.8 | N1124 T1125 V1126 | N1124-Q1128 VanDerWaalsContact O-CG 3.3Å; N1124-Q1128 WeakPolarHBondContact O-CG 3.43Å; N1124-Q1128 PolarHBondContact O-N 3.48Å; T1125-Q1128 PolarHBondContact O-N 2.9Å; V1126-Q1128 PolarHBondContact O-N 3.41Å; V1126-Q1128 VanDerWaalsContact O-N 3.15Å |
| 1129 | N | 92.4 | Very high | 92.5 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 27% | 0.273 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -117.6 | -22.4 | -168.1 | -67.8 | -100.4 | 0 | 0 | 0 | 114.3 | P1090 T1125 V1126 | P1090-N1129 HydrophobicContact CB-CB 4.46Å; P1090-N1129 WeakPolarHBondContact CB-O 3.36Å; T1125-N1129 WeakPolarHBondContact O-CB 3.32Å; T1125-N1129 PolarHBondContact O-N 3.48Å; T1125-N1129 PolarHBondContact O-ND2 3.31Å; V1126-N1129 PolarHBondContact O-N 3.22Å |
| 1130 | L | 90.9 | Very high | 92.3 | Very high | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -87.1 | 155.7 | 172 | -67.8 | -166.5 | 0 | 0 | 0 | 111.7 | V1086 P1090 F1093 A1097 V1126 Q1132 | V1086-L1130 HydrophobicContact CG2-CD2 3.64Å; V1086-L1130 HydrophobicContact CG2-CG 3.9Å; P1090-L1130 HydrophobicContact CB-CD2 3.9Å; F1093-L1130 HydrophobicContact CB-CD2 3.91Å; A1097-L1130 HydrophobicContact CB-CD1 4.24Å; V1126-L1130 HydrophobicContact CG1-CB 4.44Å; V1126-L1130 HydrophobicContact CG1-CD1 3.58Å; V1126-L1130 HydrophobicContact CG1-CG 3.89Å; V1126-L1130 PolarHBondContact O-N 3.45Å; L1130-Q1132 PolarHBondContact O-N 3Å |
| 1131 | P | 90.7 | Very high | 91.8 | Very high | 52 Ų | 52 | 33.3 Ų | 33.3 | 34% | 0.338 | 17% | 0.174 | S | C | . | . | trans | -54.5 | 135 | 172.9 | -24.2 | 33.1 | 0 | 0 | 0 | 111.9 | H1094 L1134 C1135 | H1094-P1131 WeakPolarHBondContact NE2-CG 3.49Å; P1131-L1134 HydrophobicContact CB-CB 4.03Å; P1131-L1134 WeakPolarHBondContact O-CB 3.16Å; P1131-L1134 PolarHBondContact O-N 3.36Å; P1131-L1134 VanDerWaalsContact O-N 3.16Å; P1131-C1135 PolarHBondContact O-N 3.17Å; P1131-C1135 PolarHBondContact O-SG 3.34Å | ||
| 1132 | Q | 90.6 | Very high | 91.4 | Very high | 61 Ų | 61 | 30.6 Ų | 30.6 | 29% | 0.285 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -66 | -43.8 | -174.1 | -65 | 164.5 | -3.8 | 0 | 0 | 110.9 | L1130 L1134 C1135 L1136 V1161 N1164 S1165 L1169 | L1130-Q1132 PolarHBondContact O-N 3Å; Q1132-L1134 VanDerWaalsContact C-N 3.3Å; Q1132-L1134 PolarHBondContact O-N 2.88Å; Q1132-C1135 CarbonylContact O-C 3.56Å; Q1132-C1135 PolarHBondContact O-N 2.83Å; Q1132-C1135 VanDerWaalsContact O-N 3.13Å; Q1132-L1136 WeakPolarHBondContact O-CG 3.2Å; Q1132-L1136 PolarHBondContact O-N 3.02Å; Q1132-V1161 HydrophobicContact CB-CG1 4.14Å; Q1132-V1161 HydrophobicContact CG-CG1 4.42Å; Q1132-N1164 PolarHBondContact NE2-O 2.72Å; Q1132-S1165 VanDerWaalsContact OE1-CA 3.29Å; Q1132-S1165 PolarHBondContact OE1-OG 3.22Å; Q1132-L1169 HydrophobicContact CB-CD2 3.51Å |
| 1133 | E | 90 | Very high | 91.1 | Very high | 117 Ų | 117 | 30.9 Ų | 30.9 | 55% | 0.547 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -50.9 | -46.5 | 170.1 | -69.3 | 161.9 | -135.4 | 0 | 0 | 112.4 | L1136 N1137 L1169 | E1133-L1136 PolarHBondContact O-N 3.23Å; E1133-N1137 VanDerWaalsContact O-CB 3.26Å; E1133-N1137 WeakPolarHBondContact O-CB 3.4Å; E1133-N1137 PolarHBondContact O-N 3.03Å; E1133-N1137 PolarHBondContact O-ND2 3.24Å; E1133-L1169 HydrophobicContact CG-CD1 3.55Å; E1133-L1169 HydrophobicContact CG-CD2 4.22Å |
| 1134 | L | 89.9 | Confident | 90.6 | Very high | 40 Ų | 40 | 33.5 Ų | 33.5 | 21% | 0.209 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 179.8 | -176.2 | 62.5 | 0 | 0 | 0 | 110.8 | A1097 P1131 Q1132 V1138 | A1097-L1134 HydrophobicContact CB-CD1 4.2Å; A1097-L1134 HydrophobicContact CB-CD2 3.58Å; A1097-L1134 HydrophobicContact CB-CG 3.87Å; P1131-L1134 HydrophobicContact CB-CB 4.03Å; P1131-L1134 WeakPolarHBondContact O-CB 3.16Å; P1131-L1134 PolarHBondContact O-N 3.36Å; P1131-L1134 VanDerWaalsContact O-N 3.16Å; Q1132-L1134 VanDerWaalsContact C-N 3.3Å; Q1132-L1134 PolarHBondContact O-N 2.88Å; L1134-V1138 WeakPolarHBondContact O-CG2 3.08Å; L1134-V1138 PolarHBondContact O-N 3.06Å |
| 1135 | C | 91.4 | Very high | 90 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 174.8 | -65.6 | 0 | 0 | 0 | 0 | 112.5 | P1131 Q1132 V1138 L1139 V1161 | P1131-C1135 PolarHBondContact O-N 3.17Å; P1131-C1135 PolarHBondContact O-SG 3.34Å; Q1132-C1135 CarbonylContact O-C 3.56Å; Q1132-C1135 PolarHBondContact O-N 2.83Å; Q1132-C1135 VanDerWaalsContact O-N 3.13Å; C1135-V1138 PolarHBondContact O-N 2.95Å; C1135-L1139 HydrophobicContact CB-CD1 4.34Å; C1135-L1139 VanDerWaalsContact O-CB 3.23Å; C1135-L1139 WeakPolarHBondContact O-CB 3.47Å; C1135-L1139 WeakPolarHBondContact O-CD1 2.97Å; C1135-L1139 WeakPolarHBondContact O-CG 3.39Å; C1135-L1139 PolarHBondContact O-N 2.86Å; C1135-V1161 HydrophobicContact CB-CG1 4.09Å; C1135-V1161 HydrophobicContact CB-CG2 3.72Å |
| 1136 | L | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.5 | -40.6 | 178 | -67 | -179.4 | 0 | 0 | 0 | 111.7 | Q1132 E1133 V1138 L1139 T1140 Q1158 V1161 I1162 L1169 F1173 L1177 | Q1132-L1136 WeakPolarHBondContact O-CG 3.2Å; Q1132-L1136 PolarHBondContact O-N 3.02Å; E1133-L1136 PolarHBondContact O-N 3.23Å; L1136-V1138 VanDerWaalsContact C-N 3.29Å; L1136-V1138 PolarHBondContact O-N 3.11Å; L1136-L1139 PolarHBondContact O-N 2.73Å; L1136-T1140 WeakPolarHBondContact O-CB 3.46Å; L1136-T1140 PolarHBondContact O-N 3.49Å; L1136-T1140 PolarHBondContact O-OG1 2.68Å; L1136-Q1158 HydrophobicContact CD2-CG 4.19Å; L1136-V1161 HydrophobicContact CD2-CB 4.35Å; L1136-V1161 HydrophobicContact CD2-CG1 3.73Å; L1136-V1161 HydrophobicContact CG-CG1 3.88Å; L1136-I1162 HydrophobicContact CD2-CG1 4.29Å; L1136-L1169 HydrophobicContact CD1-CD2 4.32Å; L1136-L1169 HydrophobicContact CD1-CG 4.21Å; L1136-F1173 HydrophobicContact CB-CD1 3.78Å; L1136-F1173 HydrophobicContact CB-CE1 3.76Å; L1136-F1173 HydrophobicContact CB-CG 4.32Å; L1136-F1173 HydrophobicContact CB-CZ 4.29Å; L1136-F1173 HydrophobicContact CD1-CB 4.2Å; L1136-F1173 HydrophobicContact CD1-CD1 4.22Å; L1136-F1173 HydrophobicContact CD1-CD2 4.09Å; L1136-F1173 HydrophobicContact CD1-CG 3.89Å; L1136-L1177 HydrophobicContact CD2-CD2 4.26Å |
| 1137 | N | 89.4 | Confident | 87.8 | Confident | 86 Ų | 86 | 37.5 Ų | 37.5 | 46% | 0.46 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.8 | -35.1 | 173.8 | -82.2 | -55.3 | 0 | 0 | 0 | 112.6 | E1133 P1141 | E1133-N1137 VanDerWaalsContact O-CB 3.26Å; E1133-N1137 WeakPolarHBondContact O-CB 3.4Å; E1133-N1137 PolarHBondContact O-N 3.03Å; E1133-N1137 PolarHBondContact O-ND2 3.24Å; N1137-P1141 WeakPolarHBondContact O-CD 3.18Å; N1137-P1141 WeakPolarHBondContact O-CG 3.33Å |
| 1138 | V | 88.2 | Confident | 86.9 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.03 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -79.4 | -43.6 | 174.2 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | Y1098 V1101 I1102 L1134 C1135 L1136 P1141 L1142 | Y1098-V1138 HydrophobicContact CD2-CG2 4.03Å; Y1098-V1138 HydrophobicContact CG-CG2 4.32Å; V1101-V1138 HydrophobicContact CB-CG1 3.91Å; V1101-V1138 HydrophobicContact CG1-CG1 3.75Å; V1101-V1138 HydrophobicContact CG2-CG1 4.47Å; I1102-V1138 HydrophobicContact CD1-CG1 4.23Å; L1134-V1138 WeakPolarHBondContact O-CG2 3.08Å; L1134-V1138 PolarHBondContact O-N 3.06Å; C1135-V1138 PolarHBondContact O-N 2.95Å; L1136-V1138 VanDerWaalsContact C-N 3.29Å; L1136-V1138 PolarHBondContact O-N 3.11Å; V1138-P1141 WeakPolarHBondContact O-CD 3.42Å; V1138-P1141 VanDerWaalsContact O-CG 3.28Å; V1138-P1141 WeakPolarHBondContact O-CG 3.23Å; V1138-L1142 HydrophobicContact CG1-CD1 3.86Å; V1138-L1142 WeakPolarHBondContact O-CD1 3.39Å; V1138-L1142 WeakPolarHBondContact O-CG 3.42Å |
| 1139 | L | 91.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -77.4 | -37.3 | -172 | -71 | 165.2 | 0 | 0 | 0 | 114 | V1101 L1105 C1135 L1136 L1142 I1143 A1154 M1157 Q1158 V1161 | V1101-L1139 HydrophobicContact CG1-CD2 4.18Å; L1105-L1139 HydrophobicContact CD1-CD2 3.81Å; C1135-L1139 HydrophobicContact CB-CD1 4.34Å; C1135-L1139 VanDerWaalsContact O-CB 3.23Å; C1135-L1139 WeakPolarHBondContact O-CB 3.47Å; C1135-L1139 WeakPolarHBondContact O-CD1 2.97Å; C1135-L1139 WeakPolarHBondContact O-CG 3.39Å; C1135-L1139 PolarHBondContact O-N 2.86Å; L1136-L1139 PolarHBondContact O-N 2.73Å; L1139-L1142 CarbonylContact O-C 3.55Å; L1139-L1142 PolarHBondContact O-N 3.25Å; L1139-L1142 VanDerWaalsContact O-N 3.13Å; L1139-I1143 HydrophobicContact CB-CD1 4.49Å; L1139-I1143 WeakPolarHBondContact O-CG1 3.32Å; L1139-I1143 PolarHBondContact O-N 3.12Å; L1139-A1154 HydrophobicContact CD2-CB 4.19Å; L1139-M1157 HydrophobicContact CD1-CB 4.2Å; L1139-M1157 HydrophobicContact CD1-CE 4.49Å; L1139-M1157 HydrophobicContact CD1-CG 3.91Å; L1139-M1157 HydrophobicContact CD1-SD 4.23Å; L1139-M1157 HydrophobicContact CD2-CB 4.2Å; L1139-M1157 HydrophobicContact CD2-CG 4.35Å; L1139-M1157 HydrophobicContact CD2-SD 4.03Å; L1139-Q1158 HydrophobicContact CB-CB 4.39Å; L1139-Q1158 HydrophobicContact CD1-CB 4.19Å; L1139-V1161 HydrophobicContact CD1-CG2 4.08Å |
| 1140 | T | 89.9 | Confident | 86.2 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -45.7 | -177.2 | -54.6 | 0 | 0 | 0 | 0 | 114 | L1136 L1142 I1143 N1144 A1176 | L1136-T1140 WeakPolarHBondContact O-CB 3.46Å; L1136-T1140 PolarHBondContact O-N 3.49Å; L1136-T1140 PolarHBondContact O-OG1 2.68Å; T1140-L1142 VanDerWaalsContact C-N 3.32Å; T1140-L1142 PolarHBondContact O-N 3.09Å; T1140-I1143 PolarHBondContact O-N 3.5Å; T1140-N1144 WeakPolarHBondContact CG2-ND2 3.44Å; T1140-N1144 PolarHBondContact O-N 3.14Å; T1140-N1144 PolarHBondContact O-ND2 3.13Å; T1140-A1176 HydrophobicContact CG2-CB 3.9Å; T1140-A1176 WeakPolarHBondContact CG2-O 3.33Å |
| 1141 | P | 86.1 | Confident | 86.1 | Confident | 9 Ų | 9 | 32.1 Ų | 32.1 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.7 | -39 | 172.7 | 21 | -31.3 | 0 | 0 | 0 | 113 | L980 N1137 V1138 I1143 N1144 | L980-P1141 HydrophobicContact CB-CB 4.03Å; L980-P1141 HydrophobicContact CD2-CB 3.81Å; L980-P1141 HydrophobicContact CD2-CG 3.79Å; L980-P1141 WeakPolarHBondContact O-CB 3.31Å; N1137-P1141 WeakPolarHBondContact O-CD 3.18Å; N1137-P1141 WeakPolarHBondContact O-CG 3.33Å; V1138-P1141 WeakPolarHBondContact O-CD 3.42Å; V1138-P1141 VanDerWaalsContact O-CG 3.28Å; V1138-P1141 WeakPolarHBondContact O-CG 3.23Å; P1141-I1143 PolarHBondContact O-N 2.85Å; P1141-I1143 VanDerWaalsContact O-N 3.11Å; P1141-N1144 PolarHBondContact O-N 3.47Å |
| 1142 | L | 86.6 | Confident | 86.1 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.7 | -0.1 | -177.9 | -50.9 | 169.1 | 0 | 0 | 0 | 114 | L983 I984 Y1098 I1102 L1105 V1138 L1139 T1140 L1148 N1151 | L983-L1142 HydrophobicContact CB-CD2 3.78Å; I984-L1142 HydrophobicContact CD1-CB 3.69Å; I984-L1142 HydrophobicContact CD1-CD1 4.37Å; I984-L1142 HydrophobicContact CD1-CD2 3.44Å; I984-L1142 VanDerWaalsContact CD1-CD2 3.44Å; I984-L1142 HydrophobicContact CD1-CG 3.96Å; I984-L1142 HydrophobicContact CG1-CD2 4.21Å; Y1098-L1142 HydrophobicContact CE1-CD2 4.49Å; I1102-L1142 HydrophobicContact CD1-CD1 3.46Å; I1102-L1142 VanDerWaalsContact CD1-CD1 3.46Å; I1102-L1142 HydrophobicContact CD1-CD2 3.87Å; I1102-L1142 HydrophobicContact CD1-CG 4.31Å; I1102-L1142 HydrophobicContact CG1-CD1 3.92Å; I1102-L1142 HydrophobicContact CG1-CD2 4.08Å; L1105-L1142 HydrophobicContact CD1-CD1 4.31Å; V1138-L1142 HydrophobicContact CG1-CD1 3.86Å; V1138-L1142 WeakPolarHBondContact O-CD1 3.39Å; V1138-L1142 WeakPolarHBondContact O-CG 3.42Å; L1139-L1142 CarbonylContact O-C 3.55Å; L1139-L1142 PolarHBondContact O-N 3.25Å; L1139-L1142 VanDerWaalsContact O-N 3.13Å; T1140-L1142 VanDerWaalsContact C-N 3.32Å; T1140-L1142 PolarHBondContact O-N 3.09Å; L1142-L1148 WeakPolarHBondContact O-CD1 3.06Å; L1142-N1151 PolarHBondContact O-OD1 3.17Å |
| 1143 | I | 89.4 | Confident | 86.3 | Confident | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.036 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -115.6 | -22.2 | 176.2 | -65.7 | 167.1 | 0 | 0 | 0 | 111.5 | L1139 T1140 P1141 N1151 A1154 I1155 Q1158 | L1139-I1143 HydrophobicContact CB-CD1 4.49Å; L1139-I1143 WeakPolarHBondContact O-CG1 3.32Å; L1139-I1143 PolarHBondContact O-N 3.12Å; T1140-I1143 PolarHBondContact O-N 3.5Å; P1141-I1143 PolarHBondContact O-N 2.85Å; P1141-I1143 VanDerWaalsContact O-N 3.11Å; I1143-N1151 WeakPolarHBondContact CA-OD1 3.45Å; I1143-A1154 HydrophobicContact CD1-CB 4.07Å; I1143-A1154 HydrophobicContact CG1-CB 3.69Å; I1143-I1155 HydrophobicContact CD1-CG1 3.92Å; I1143-I1155 HydrophobicContact CG1-CG1 3.94Å; I1143-I1155 HydrophobicContact CG2-CD1 4.31Å; I1143-I1155 HydrophobicContact CG2-CG1 3.82Å; I1143-Q1158 HydrophobicContact CD1-CB 3.83Å; I1143-Q1158 VanDerWaalsContact CD1-CD 3.47Å; I1143-Q1158 HydrophobicContact CD1-CG 4.22Å |
| 1144 | N | 85 | Confident | 86.4 | Confident | 61 Ų | 61 | 23.5 Ų | 23.5 | 33% | 0.326 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -80 | -24.2 | -179.3 | -83.6 | -56.9 | 0 | 0 | 0 | 113.4 | T1140 P1141 G1180 | T1140-N1144 WeakPolarHBondContact CG2-ND2 3.44Å; T1140-N1144 PolarHBondContact O-N 3.14Å; T1140-N1144 PolarHBondContact O-ND2 3.13Å; P1141-N1144 PolarHBondContact O-N 3.47Å; N1144-G1180 WeakPolarHBondContact OD1-CA 3.48Å; N1144-G1180 PolarHBondContact OD1-N 2.98Å |
| 1145 | D | 81.8 | Confident | 86.6 | Confident | 30 Ų | 30 | 21.6 Ų | 21.6 | 16% | 0.16 | 12% | 0.116 | C | C | . | . | trans | -89.2 | 125.8 | 169.1 | 179.9 | -13.9 | 0 | 0 | 0 | 109.7 | Q1147 L1148 N1151 | D1145-Q1147 WeakPolarHBondContact OD1-CB 3.49Å; D1145-Q1147 PolarHBondContact OD1-N 3.17Å; D1145-L1148 HydrophobicContact CB-CD1 3.63Å; D1145-L1148 HydrophobicContact CB-CD2 3.97Å; D1145-L1148 HydrophobicContact CB-CG 3.62Å; D1145-L1148 VanDerWaalsContact O-CG 3.31Å; D1145-L1148 WeakPolarHBondContact O-CG 3.46Å; D1145-N1151 PolarHBondContact O-ND2 2.9Å; D1145-N1151 PolarHBondContact O-OD1 3.38Å | ||
| 1146 | S | 72 | Confident | 86.7 | Confident | 49 Ų | 49 | 25.7 Ų | 25.7 | 34% | 0.343 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -20.6 | -174 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | L1148 N1151 | S1146-L1148 PolarHBondContact O-N 3.41Å; S1146-N1151 PolarHBondContact O-ND2 2.94Å |
| 1147 | Q | 71.2 | Confident | 86.9 | Confident | 71 Ų | 71 | 25.9 Ų | 25.9 | 33% | 0.332 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -15.6 | -177.5 | -54.7 | -53.5 | -77.4 | 0 | 0 | 111.8 | N985 D1145 H1149 | N985-Q1147 WeakPolarHBondContact OD1-CB 3.3Å; N985-Q1147 PolarHBondContact OD1-O 3.01Å; D1145-Q1147 WeakPolarHBondContact OD1-CB 3.49Å; D1145-Q1147 PolarHBondContact OD1-N 3.17Å; Q1147-H1149 PolarHBondContact O-CE1 3.15Å; Q1147-H1149 VanDerWaalsContact O-CE1 3.29Å; Q1147-H1149 PolarHBondContact O-N 3.37Å; Q1147-H1149 VanDerWaalsContact O-N 3.17Å; Q1147-H1149 PolarHBondContact O-ND1 2.94Å; Q1147-H1149 VanDerWaalsContact O-ND1 3.12Å |
| 1148 | L | 73.9 | Confident | 87.1 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | trans | -75.3 | 102.1 | -168.4 | -49.7 | -170.5 | 0 | 0 | 0 | 112.9 | I984 N985 L1142 D1145 S1146 I1150 N1151 | I984-L1148 HydrophobicContact CB-CB 3.94Å; I984-L1148 HydrophobicContact CB-CD1 4.12Å; I984-L1148 HydrophobicContact CB-CD2 3.7Å; I984-L1148 HydrophobicContact CB-CG 4.08Å; I984-L1148 HydrophobicContact CD1-CB 4.16Å; I984-L1148 HydrophobicContact CD1-CD1 3.79Å; I984-L1148 HydrophobicContact CD1-CG 4.47Å; I984-L1148 HydrophobicContact CG2-CB 3.7Å; I984-L1148 HydrophobicContact CG2-CD2 4.02Å; I984-L1148 HydrophobicContact CG2-CG 4.32Å; I984-L1148 WeakPolarHBondContact O-CD2 3.46Å; N985-L1148 HydrophobicContact CB-CD2 4.48Å; N985-L1148 VanDerWaalsContact OD1-CD2 3.32Å; N985-L1148 WeakPolarHBondContact OD1-CD2 3.36Å; L1142-L1148 WeakPolarHBondContact O-CD1 3.06Å; D1145-L1148 HydrophobicContact CB-CD1 3.63Å; D1145-L1148 HydrophobicContact CB-CD2 3.97Å; D1145-L1148 HydrophobicContact CB-CG 3.62Å; D1145-L1148 VanDerWaalsContact O-CG 3.31Å; D1145-L1148 WeakPolarHBondContact O-CG 3.46Å; S1146-L1148 PolarHBondContact O-N 3.41Å; L1148-I1150 PolarHBondContact O-N 2.9Å; L1148-N1151 WeakPolarHBondContact O-CB 3.39Å; L1148-N1151 PolarHBondContact O-N 3.17Å; L1148-N1151 PolarHBondContact O-ND2 3.12Å | ||
| 1149 | H | 80.5 | Confident | 87.4 | Confident | 63 Ų | 63 | 23.5 Ų | 23.5 | 29% | 0.292 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -0.7 | -177.2 | -50.5 | -32.4 | 0 | 0 | 0 | 116.1 | Y986 P988 R1109 Q1147 | Y986-H1149 VanDerWaalsContact C-CD2 3.45Å; Y986-H1149 HydrophobicContact CD1-CB 4.25Å; Y986-H1149 HydrophobicContact CG-CB 4.45Å; Y986-H1149 PolarHBondContact O-CD2 3.46Å; Y986-H1149 PolarHBondContact O-NE2 3.45Å; P988-H1149 VanDerWaalsContact CD-CD2 3.4Å; P988-H1149 WeakPolarHBondContact CD-CD2 3.42Å; R1109-H1149 WeakPolarHBondContact CD-O 3.4Å; R1109-H1149 PolarHBondContact NE-O 2.8Å; Q1147-H1149 PolarHBondContact O-CE1 3.15Å; Q1147-H1149 VanDerWaalsContact O-CE1 3.29Å; Q1147-H1149 PolarHBondContact O-N 3.37Å; Q1147-H1149 VanDerWaalsContact O-N 3.17Å; Q1147-H1149 PolarHBondContact O-ND1 2.94Å; Q1147-H1149 VanDerWaalsContact O-ND1 3.12Å |
| 1150 | I | 89.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 12.9 | 166.5 | 80.8 | -176.3 | 0 | 0 | 0 | 112.9 | I984 Y986 I1102 L1105 E1106 L1148 L1152 P1153 A1154 | I984-I1150 HydrophobicContact CD1-CD1 3.52Å; I984-I1150 HydrophobicContact CD1-CG1 3.26Å; I984-I1150 HydrophobicContact CG1-CD1 3.47Å; I984-I1150 VanDerWaalsContact CG1-CD1 3.47Å; I984-I1150 HydrophobicContact CG1-CG1 3.59Å; I984-I1150 HydrophobicContact CG2-CG1 4.2Å; Y986-I1150 HydrophobicContact CD2-CG2 4.5Å; I1102-I1150 HydrophobicContact CG1-CD1 4.4Å; I1102-I1150 HydrophobicContact CG2-CD1 4.13Å; L1105-I1150 HydrophobicContact CB-CB 4.4Å; L1105-I1150 HydrophobicContact CB-CD1 3.53Å; L1105-I1150 HydrophobicContact CB-CG1 4.17Å; L1105-I1150 HydrophobicContact CD1-CD1 4.36Å; E1106-I1150 HydrophobicContact CG-CD1 4.2Å; E1106-I1150 HydrophobicContact CG-CG2 4.37Å; L1148-I1150 PolarHBondContact O-N 2.9Å; I1150-L1152 VanDerWaalsContact C-N 3.28Å; I1150-L1152 PolarHBondContact O-N 2.98Å; I1150-P1153 HydrophobicContact CB-CG 3.96Å; I1150-P1153 WeakPolarHBondContact O-CD 3.39Å; I1150-P1153 VanDerWaalsContact O-CG 3.27Å; I1150-P1153 WeakPolarHBondContact O-CG 3.36Å; I1150-A1154 VanDerWaalsContact O-CB 3.26Å; I1150-A1154 WeakPolarHBondContact O-CB 3.37Å; I1150-A1154 PolarHBondContact O-N 3.1Å |
| 1151 | N | 88.2 | Confident | 87.7 | Confident | 7 Ų | 7 | 25.3 Ų | 25.3 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -49.4 | -44.3 | 169.2 | -90.4 | -32 | 0 | 0 | 0 | 112.7 | L1142 I1143 D1145 S1146 L1148 A1154 I1155 I1192 | L1142-N1151 PolarHBondContact O-OD1 3.17Å; I1143-N1151 WeakPolarHBondContact CA-OD1 3.45Å; D1145-N1151 PolarHBondContact O-ND2 2.9Å; D1145-N1151 PolarHBondContact O-OD1 3.38Å; S1146-N1151 PolarHBondContact O-ND2 2.94Å; L1148-N1151 WeakPolarHBondContact O-CB 3.39Å; L1148-N1151 PolarHBondContact O-N 3.17Å; L1148-N1151 PolarHBondContact O-ND2 3.12Å; N1151-A1154 PolarHBondContact O-N 3.19Å; N1151-I1155 WeakPolarHBondContact O-CD1 3.42Å; N1151-I1155 VanDerWaalsContact O-CG1 3.24Å; N1151-I1155 WeakPolarHBondContact O-CG1 3.44Å; N1151-I1155 PolarHBondContact O-N 3.4Å; N1151-I1192 HydrophobicContact CB-CD1 3.98Å |
| 1152 | L | 92.1 | Very high | 88.1 | Confident | 39 Ų | 39 | 24.9 Ų | 24.9 | 20% | 0.204 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.4 | -55.1 | -179.6 | 179.8 | 60.4 | 0 | 0 | 0 | 113.6 | I1150 A1154 K1156 A1191 I1192 A1195 | I1150-L1152 VanDerWaalsContact C-N 3.28Å; I1150-L1152 PolarHBondContact O-N 2.98Å; L1152-A1154 VanDerWaalsContact C-N 3.32Å; L1152-K1156 PolarHBondContact O-N 3.01Å; L1152-K1156 VanDerWaalsContact O-N 3.15Å; L1152-A1191 HydrophobicContact CD1-CB 3.91Å; L1152-A1191 HydrophobicContact CD2-CB 3.71Å; L1152-A1191 HydrophobicContact CG-CB 4.47Å; L1152-I1192 HydrophobicContact CB-CD1 4.28Å; L1152-I1192 HydrophobicContact CB-CG1 3.78Å; L1152-I1192 HydrophobicContact CD1-CG1 4.13Å; L1152-I1192 HydrophobicContact CG-CG1 4.48Å; L1152-A1195 HydrophobicContact CD1-CB 3.89Å |
| 1153 | P | 93.1 | Very high | 88.4 | Confident | 10 Ų | 10 | 29.2 Ų | 29.2 | 7% | 0.065 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.7 | -29.5 | 174.6 | 26.8 | -35 | 0 | 0 | 0 | 112.9 | L1105 C1108 R1109 I1150 K1156 M1157 | L1105-P1153 HydrophobicContact CD2-CB 3.84Å; L1105-P1153 HydrophobicContact CD2-CG 4.4Å; C1108-P1153 HydrophobicContact CB-CB 3.65Å; C1108-P1153 HydrophobicContact CB-CG 4.08Å; R1109-P1153 HydrophobicContact CG-CG 4.38Å; I1150-P1153 HydrophobicContact CB-CG 3.96Å; I1150-P1153 WeakPolarHBondContact O-CD 3.39Å; I1150-P1153 VanDerWaalsContact O-CG 3.27Å; I1150-P1153 WeakPolarHBondContact O-CG 3.36Å; P1153-K1156 WeakPolarHBondContact O-CB 3.27Å; P1153-K1156 PolarHBondContact O-N 2.75Å; P1153-M1157 WeakPolarHBondContact O-CB 3.35Å; P1153-M1157 PolarHBondContact O-N 2.87Å |
| 1154 | A | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1105 L1139 I1143 I1150 N1151 L1152 K1156 M1157 Q1158 | L1105-A1154 HydrophobicContact CD1-CB 4.19Å; L1139-A1154 HydrophobicContact CD2-CB 4.19Å; I1143-A1154 HydrophobicContact CD1-CB 4.07Å; I1143-A1154 HydrophobicContact CG1-CB 3.69Å; I1150-A1154 VanDerWaalsContact O-CB 3.26Å; I1150-A1154 WeakPolarHBondContact O-CB 3.37Å; I1150-A1154 PolarHBondContact O-N 3.1Å; N1151-A1154 PolarHBondContact O-N 3.19Å; L1152-A1154 VanDerWaalsContact C-N 3.32Å; A1154-K1156 PolarHBondContact O-N 2.67Å; A1154-M1157 PolarHBondContact O-N 2.78Å; A1154-Q1158 WeakPolarHBondContact O-CB 3.26Å; A1154-Q1158 PolarHBondContact O-N 3Å |
| 1155 | I | 93.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.6 | -40 | 176.2 | -63.7 | 162.2 | 0 | 0 | 0 | 111.2 | I1143 N1151 M1157 Q1158 M1159 L1181 A1184 I1192 A1195 C1199 | I1143-I1155 HydrophobicContact CD1-CG1 3.92Å; I1143-I1155 HydrophobicContact CG1-CG1 3.94Å; I1143-I1155 HydrophobicContact CG2-CD1 4.31Å; I1143-I1155 HydrophobicContact CG2-CG1 3.82Å; N1151-I1155 WeakPolarHBondContact O-CD1 3.42Å; N1151-I1155 VanDerWaalsContact O-CG1 3.24Å; N1151-I1155 WeakPolarHBondContact O-CG1 3.44Å; N1151-I1155 PolarHBondContact O-N 3.4Å; I1155-M1157 VanDerWaalsContact C-N 3.34Å; I1155-M1157 PolarHBondContact O-N 3.17Å; I1155-Q1158 PolarHBondContact O-N 2.82Å; I1155-M1159 WeakPolarHBondContact O-CB 3.14Å; I1155-M1159 PolarHBondContact O-N 3.41Å; I1155-L1181 HydrophobicContact CG2-CD2 4.21Å; I1155-A1184 HydrophobicContact CD1-CB 3.77Å; I1155-I1192 HydrophobicContact CD1-CG2 3.92Å; I1155-A1195 HydrophobicContact CB-CB 4.26Å; I1155-A1195 HydrophobicContact CG2-CB 3.75Å; I1155-C1199 HydrophobicContact CG2-CB 3.98Å |
| 1156 | K | 94.2 | Very high | 89.1 | Confident | 88 Ų | 88 | 30.2 Ų | 30.2 | 38% | 0.383 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57 | -46.6 | 172.4 | -78.4 | 178.2 | 169.3 | -179.5 | 0 | 111.6 | E1120 L1152 P1153 A1154 M1159 Q1160 | E1120-K1156 IonicContact OE1-NZ 2.94Å; E1120-K1156 PolarHBondContact OE1-NZ 3.08Å; L1152-K1156 PolarHBondContact O-N 3.01Å; L1152-K1156 VanDerWaalsContact O-N 3.15Å; P1153-K1156 WeakPolarHBondContact O-CB 3.27Å; P1153-K1156 PolarHBondContact O-N 2.75Å; A1154-K1156 PolarHBondContact O-N 2.67Å; K1156-M1159 WeakPolarHBondContact O-CB 3.37Å; K1156-M1159 PolarHBondContact O-N 3.23Å; K1156-Q1160 PolarHBondContact O-N 3.12Å |
| 1157 | M | 94.2 | Very high | 90 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.02 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.1 | -40.6 | -178.7 | -169.9 | 178.8 | 171.4 | 0 | 0 | 111.6 | V1101 L1105 A1123 V1126 A1127 L1139 P1153 A1154 I1155 M1159 Q1160 V1161 | V1101-M1157 HydrophobicContact CG1-CE 4.44Å; V1101-M1157 HydrophobicContact CG1-SD 4.2Å; V1101-M1157 HydrophobicContact CG2-CE 4.3Å; L1105-M1157 HydrophobicContact CD2-CB 4.2Å; L1105-M1157 HydrophobicContact CD2-SD 3.99Å; L1105-M1157 HydrophobicContact CG-SD 4.41Å; A1123-M1157 HydrophobicContact CB-SD 4.32Å; V1126-M1157 HydrophobicContact CB-CE 3.77Å; V1126-M1157 HydrophobicContact CG1-CE 3.44Å; V1126-M1157 VanDerWaalsContact CG1-CE 3.44Å; A1127-M1157 HydrophobicContact CB-CE 4.42Å; A1127-M1157 HydrophobicContact CB-CG 4.28Å; L1139-M1157 HydrophobicContact CD1-CB 4.2Å; L1139-M1157 HydrophobicContact CD1-CE 4.49Å; L1139-M1157 HydrophobicContact CD1-CG 3.91Å; L1139-M1157 HydrophobicContact CD1-SD 4.23Å; L1139-M1157 HydrophobicContact CD2-CB 4.2Å; L1139-M1157 HydrophobicContact CD2-CG 4.35Å; L1139-M1157 HydrophobicContact CD2-SD 4.03Å; P1153-M1157 WeakPolarHBondContact O-CB 3.35Å; P1153-M1157 PolarHBondContact O-N 2.87Å; A1154-M1157 PolarHBondContact O-N 2.78Å; I1155-M1157 VanDerWaalsContact C-N 3.34Å; I1155-M1157 PolarHBondContact O-N 3.17Å; M1157-M1159 VanDerWaalsContact C-N 3.32Å; M1157-M1159 PolarHBondContact O-N 3.42Å; M1157-Q1160 WeakPolarHBondContact O-CB 3.27Å; M1157-Q1160 PolarHBondContact O-N 3.29Å; M1157-Q1160 VanDerWaalsContact O-N 3.14Å; M1157-V1161 WeakPolarHBondContact O-CG2 3.42Å; M1157-V1161 PolarHBondContact O-N 3.22Å |
| 1158 | Q | 94.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 176 | -170 | -173.1 | 60.8 | 0 | 0 | 111.4 | L1136 L1139 I1143 A1154 I1155 Q1160 V1161 I1162 L1177 | L1136-Q1158 HydrophobicContact CD2-CG 4.19Å; L1139-Q1158 HydrophobicContact CB-CB 4.39Å; L1139-Q1158 HydrophobicContact CD1-CB 4.19Å; I1143-Q1158 HydrophobicContact CD1-CB 3.83Å; I1143-Q1158 VanDerWaalsContact CD1-CD 3.47Å; I1143-Q1158 HydrophobicContact CD1-CG 4.22Å; A1154-Q1158 WeakPolarHBondContact O-CB 3.26Å; A1154-Q1158 PolarHBondContact O-N 3Å; I1155-Q1158 PolarHBondContact O-N 2.82Å; Q1158-Q1160 VanDerWaalsContact C-N 3.35Å; Q1158-Q1160 PolarHBondContact O-N 2.9Å; Q1158-V1161 PolarHBondContact O-N 3.32Å; Q1158-I1162 HydrophobicContact CG-CD1 3.85Å; Q1158-I1162 WeakPolarHBondContact O-CB 3.37Å; Q1158-I1162 VanDerWaalsContact O-CG1 3.29Å; Q1158-I1162 WeakPolarHBondContact O-CG1 3.33Å; Q1158-I1162 PolarHBondContact O-N 3.44Å; Q1158-L1177 HydrophobicContact CG-CD2 4.36Å |
| 1159 | M | 94.4 | Very high | 91.6 | Very high | 40 Ų | 40 | 34 Ų | 34 | 20% | 0.197 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.6 | -43.4 | 172.7 | -179 | -171.8 | 75.1 | 0 | 0 | 112 | I1155 K1156 M1157 I1162 Q1163 F1198 C1199 A1202 | I1155-M1159 WeakPolarHBondContact O-CB 3.14Å; I1155-M1159 PolarHBondContact O-N 3.41Å; K1156-M1159 WeakPolarHBondContact O-CB 3.37Å; K1156-M1159 PolarHBondContact O-N 3.23Å; M1157-M1159 VanDerWaalsContact C-N 3.32Å; M1157-M1159 PolarHBondContact O-N 3.42Å; M1159-I1162 PolarHBondContact O-N 3.41Å; M1159-Q1163 WeakPolarHBondContact O-CB 3.3Å; M1159-Q1163 VanDerWaalsContact O-CG 3.27Å; M1159-Q1163 WeakPolarHBondContact O-CG 3.43Å; M1159-Q1163 PolarHBondContact O-N 2.92Å; M1159-Q1163 PolarHBondContact O-OE1 2.98Å; M1159-F1198 HydrophobicContact SD-CB 3.66Å; M1159-C1199 HydrophobicContact CB-CB 4.19Å; M1159-A1202 HydrophobicContact CG-CB 4.1Å |
| 1160 | Q | 93.9 | Very high | 92.1 | Very high | 47 Ų | 47 | 31 Ų | 31 | 22% | 0.22 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 175.3 | -67.6 | -69.6 | -71.5 | 0 | 0 | 112.3 | A1127 K1156 M1157 Q1158 I1162 Q1163 N1164 | A1127-Q1160 HydrophobicContact CB-CB 3.92Å; K1156-Q1160 PolarHBondContact O-N 3.12Å; M1157-Q1160 WeakPolarHBondContact O-CB 3.27Å; M1157-Q1160 PolarHBondContact O-N 3.29Å; M1157-Q1160 VanDerWaalsContact O-N 3.14Å; Q1158-Q1160 VanDerWaalsContact C-N 3.35Å; Q1158-Q1160 PolarHBondContact O-N 2.9Å; Q1160-I1162 PolarHBondContact O-N 2.74Å; Q1160-Q1163 PolarHBondContact O-N 3.18Å; Q1160-N1164 PolarHBondContact O-N 3.44Å; Q1160-N1164 PolarHBondContact O-ND2 2.83Å |
| 1161 | V | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 175.8 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | A1127 Q1132 C1135 L1136 L1139 M1157 Q1158 Q1163 N1164 S1165 | A1127-V1161 HydrophobicContact CB-CG2 3.69Å; Q1132-V1161 HydrophobicContact CB-CG1 4.14Å; Q1132-V1161 HydrophobicContact CG-CG1 4.42Å; C1135-V1161 HydrophobicContact CB-CG1 4.09Å; C1135-V1161 HydrophobicContact CB-CG2 3.72Å; L1136-V1161 HydrophobicContact CD2-CB 4.35Å; L1136-V1161 HydrophobicContact CD2-CG1 3.73Å; L1136-V1161 HydrophobicContact CG-CG1 3.88Å; L1139-V1161 HydrophobicContact CD1-CG2 4.08Å; M1157-V1161 WeakPolarHBondContact O-CG2 3.42Å; M1157-V1161 PolarHBondContact O-N 3.22Å; Q1158-V1161 PolarHBondContact O-N 3.32Å; V1161-Q1163 PolarHBondContact O-N 3.34Å; V1161-N1164 CarbonylContact O-C 3.51Å; V1161-N1164 PolarHBondContact O-N 3.04Å; V1161-S1165 WeakPolarHBondContact O-CB 3.48Å; V1161-S1165 PolarHBondContact O-N 2.78Å; V1161-S1165 PolarHBondContact O-OG 2.71Å |
| 1162 | I | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 178 | -71.2 | 164.6 | 0 | 0 | 0 | 111.4 | L1136 Q1158 M1159 Q1160 N1164 S1165 V1170 L1177 A1202 I1203 K1206 | L1136-I1162 HydrophobicContact CD2-CG1 4.29Å; Q1158-I1162 HydrophobicContact CG-CD1 3.85Å; Q1158-I1162 WeakPolarHBondContact O-CB 3.37Å; Q1158-I1162 VanDerWaalsContact O-CG1 3.29Å; Q1158-I1162 WeakPolarHBondContact O-CG1 3.33Å; Q1158-I1162 PolarHBondContact O-N 3.44Å; M1159-I1162 PolarHBondContact O-N 3.41Å; Q1160-I1162 PolarHBondContact O-N 2.74Å; I1162-N1164 VanDerWaalsContact C-N 3.3Å; I1162-N1164 PolarHBondContact O-N 2.65Å; I1162-S1165 PolarHBondContact O-N 2.88Å; I1162-S1165 VanDerWaalsContact O-N 3.15Å; I1162-V1170 HydrophobicContact CG2-CG2 4.18Å; I1162-L1177 HydrophobicContact CD1-CD1 4.23Å; I1162-A1202 HydrophobicContact CG2-CB 4.09Å; I1162-I1203 HydrophobicContact CD1-CD1 4.06Å; I1162-I1203 HydrophobicContact CD1-CG1 3.84Å; I1162-I1203 HydrophobicContact CG2-CG1 3.99Å; I1162-K1206 HydrophobicContact CG2-CG 4.48Å; I1162-K1206 VanDerWaalsContact O-CE 3.23Å; I1162-K1206 WeakPolarHBondContact O-CE 3.31Å |
| 1163 | Q | 92.3 | Very high | 92.1 | Very high | 92 Ų | 92 | 41.6 Ų | 41.6 | 43% | 0.43 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.7 | -40 | 174.4 | -75.1 | 173.8 | -62 | 0 | 0 | 111.8 | M1159 Q1160 V1161 A1202 K1206 | M1159-Q1163 WeakPolarHBondContact O-CB 3.3Å; M1159-Q1163 VanDerWaalsContact O-CG 3.27Å; M1159-Q1163 WeakPolarHBondContact O-CG 3.43Å; M1159-Q1163 PolarHBondContact O-N 2.92Å; M1159-Q1163 PolarHBondContact O-OE1 2.98Å; Q1160-Q1163 PolarHBondContact O-N 3.18Å; V1161-Q1163 PolarHBondContact O-N 3.34Å; Q1163-A1202 HydrophobicContact CG-CB 4.02Å; Q1163-K1206 WeakPolarHBondContact O-CE 3.39Å; Q1163-K1206 PolarHBondContact O-NZ 2.78Å |
| 1164 | N | 90.1 | Very high | 92 | Very high | 67 Ų | 67 | 41.1 Ų | 41.1 | 36% | 0.358 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -76.6 | -17.9 | 175.7 | -63.1 | -20.8 | 0 | 0 | 0 | 113.8 | A1127 Q1132 Q1160 V1161 I1162 | A1127-N1164 PolarHBondContact O-ND2 2.67Å; Q1132-N1164 PolarHBondContact NE2-O 2.72Å; Q1160-N1164 PolarHBondContact O-N 3.44Å; Q1160-N1164 PolarHBondContact O-ND2 2.83Å; V1161-N1164 CarbonylContact O-C 3.51Å; V1161-N1164 PolarHBondContact O-N 3.04Å; I1162-N1164 VanDerWaalsContact C-N 3.3Å; I1162-N1164 PolarHBondContact O-N 2.65Å |
| 1165 | S | 91.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -78.3 | 152.3 | -171.3 | -64.9 | 0 | 0 | 0 | 0 | 114.5 | Q1132 V1161 I1162 K1206 | Q1132-S1165 VanDerWaalsContact OE1-CA 3.29Å; Q1132-S1165 PolarHBondContact OE1-OG 3.22Å; V1161-S1165 WeakPolarHBondContact O-CB 3.48Å; V1161-S1165 PolarHBondContact O-N 2.78Å; V1161-S1165 PolarHBondContact O-OG 2.71Å; I1162-S1165 PolarHBondContact O-N 2.88Å; I1162-S1165 VanDerWaalsContact O-N 3.15Å; S1165-K1206 WeakPolarHBondContact O-CE 3.46Å; S1165-K1206 PolarHBondContact O-NZ 3.47Å |
| 1166 | S | 91 | Very high | 91.5 | Very high | 50 Ų | 50 | 48.7 Ų | 48.7 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | trans | -68.4 | 151.3 | 168 | 94.5 | 0 | 0 | 0 | 0 | 110.5 | E1168 L1169 V1170 | S1166-E1168 WeakPolarHBondContact CB-OE2 3.24Å; S1166-E1168 PolarHBondContact O-N 3.21Å; S1166-E1168 PolarHBondContact OG-OE2 3.05Å; S1166-L1169 PolarHBondContact O-N 2.83Å; S1166-L1169 PolarHBondContact OG-N 3.31Å; S1166-V1170 WeakPolarHBondContact O-CG2 3.45Å; S1166-V1170 PolarHBondContact O-N 2.88Å | ||
| 1167 | P | 89.6 | Confident | 91.4 | Very high | 59 Ų | 59 | 44.6 Ų | 44.6 | 38% | 0.383 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.5 | -29.9 | 179.9 | 26.9 | -33.7 | 0 | 0 | 0 | 112.4 | V1170 H1171 K1206 | P1167-V1170 PolarHBondContact O-N 2.94Å; P1167-H1171 WeakPolarHBondContact O-CB 3.44Å; P1167-H1171 PolarHBondContact O-N 2.92Å; P1167-K1206 WeakPolarHBondContact CB-O 3.11Å |
| 1168 | E | 89.7 | Confident | 91.2 | Very high | 130 Ų | 130 | 45 Ų | 45 | 61% | 0.607 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64 | -46.3 | 177.3 | -52.3 | 75.6 | -164.6 | 0 | 0 | 111.4 | S1166 V1170 H1171 E1172 | S1166-E1168 WeakPolarHBondContact CB-OE2 3.24Å; S1166-E1168 PolarHBondContact O-N 3.21Å; S1166-E1168 PolarHBondContact OG-OE2 3.05Å; E1168-V1170 VanDerWaalsContact C-N 3.35Å; E1168-V1170 PolarHBondContact O-N 3.25Å; E1168-H1171 WeakPolarHBondContact O-CB 3.17Å; E1168-H1171 PolarHBondContact O-N 3.27Å; E1168-E1172 PolarHBondContact O-N 3.4Å |
| 1169 | L | 89.9 | Confident | 90.9 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.2 | -38.5 | 177.5 | 179.4 | 63.6 | 0 | 0 | 0 | 111.8 | Q1132 E1133 L1136 S1166 H1171 E1172 F1173 | Q1132-L1169 HydrophobicContact CB-CD2 3.51Å; E1133-L1169 HydrophobicContact CG-CD1 3.55Å; E1133-L1169 HydrophobicContact CG-CD2 4.22Å; L1136-L1169 HydrophobicContact CD1-CD2 4.32Å; L1136-L1169 HydrophobicContact CD1-CG 4.21Å; S1166-L1169 PolarHBondContact O-N 2.83Å; S1166-L1169 PolarHBondContact OG-N 3.31Å; L1169-H1171 VanDerWaalsContact C-N 3.31Å; L1169-E1172 PolarHBondContact O-N 3.42Å; L1169-F1173 HydrophobicContact CD1-CD2 3.67Å; L1169-F1173 HydrophobicContact CD1-CE2 3.61Å; L1169-F1173 HydrophobicContact CG-CD2 4.4Å; L1169-F1173 PolarHBondContact O-N 3.1Å; L1169-F1173 VanDerWaalsContact O-N 3.1Å |
| 1170 | V | 91.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -37.5 | 174.6 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | I1162 S1166 P1167 E1168 I1174 I1203 K1206 L1207 | I1162-V1170 HydrophobicContact CG2-CG2 4.18Å; S1166-V1170 WeakPolarHBondContact O-CG2 3.45Å; S1166-V1170 PolarHBondContact O-N 2.88Å; P1167-V1170 PolarHBondContact O-N 2.94Å; E1168-V1170 VanDerWaalsContact C-N 3.35Å; E1168-V1170 PolarHBondContact O-N 3.25Å; V1170-I1174 WeakPolarHBondContact O-CB 3.35Å; V1170-I1174 PolarHBondContact O-N 3.17Å; V1170-I1174 VanDerWaalsContact O-N 3.08Å; V1170-I1203 HydrophobicContact CG1-CG2 4.18Å; V1170-K1206 HydrophobicContact CB-CB 4.44Å; V1170-K1206 HydrophobicContact CG1-CB 4.25Å; V1170-K1206 HydrophobicContact CG2-CB 4.45Å; V1170-K1206 HydrophobicContact CG2-CG 4.38Å; V1170-L1207 HydrophobicContact CG1-CD1 4.49Å; V1170-L1207 HydrophobicContact CG1-CD2 4.41Å; V1170-L1207 HydrophobicContact CG1-CG 4.27Å |
| 1171 | H | 90.7 | Very high | 90.5 | Very high | 96 Ų | 96 | 43.5 Ų | 43.5 | 44% | 0.444 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.9 | -37 | 175.4 | -173.1 | -74.1 | 0 | 0 | 0 | 112.5 | P1167 E1168 L1169 I1174 L1207 | P1167-H1171 WeakPolarHBondContact O-CB 3.44Å; P1167-H1171 PolarHBondContact O-N 2.92Å; E1168-H1171 WeakPolarHBondContact O-CB 3.17Å; E1168-H1171 PolarHBondContact O-N 3.27Å; L1169-H1171 VanDerWaalsContact C-N 3.31Å; H1171-I1174 WeakPolarHBondContact O-CG2 3.47Å; H1171-L1207 HydrophobicContact CB-CD2 3.92Å |
| 1172 | E | 89.6 | Confident | 90.3 | Very high | 143 Ų | 143 | 44 Ų | 44 | 67% | 0.668 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.1 | -48.5 | 173.7 | -175.8 | 176.1 | -176.3 | 0 | 0 | 111.5 | E1168 L1169 I1174 | E1168-E1172 PolarHBondContact O-N 3.4Å; L1169-E1172 PolarHBondContact O-N 3.42Å; E1172-I1174 VanDerWaalsContact C-N 3.31Å; E1172-I1174 PolarHBondContact O-N 3.3Å |
| 1173 | F | 89.5 | Confident | 89.9 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -77.9 | -8.3 | -177.4 | -84.2 | -101.8 | 0 | 0 | 0 | 114.5 | L1136 L1169 N1175 A1176 L1177 | L1136-F1173 HydrophobicContact CB-CD1 3.78Å; L1136-F1173 HydrophobicContact CB-CE1 3.76Å; L1136-F1173 HydrophobicContact CB-CG 4.32Å; L1136-F1173 HydrophobicContact CB-CZ 4.29Å; L1136-F1173 HydrophobicContact CD1-CB 4.2Å; L1136-F1173 HydrophobicContact CD1-CD1 4.22Å; L1136-F1173 HydrophobicContact CD1-CD2 4.09Å; L1136-F1173 HydrophobicContact CD1-CG 3.89Å; L1169-F1173 HydrophobicContact CD1-CD2 3.67Å; L1169-F1173 HydrophobicContact CD1-CE2 3.61Å; L1169-F1173 HydrophobicContact CG-CD2 4.4Å; L1169-F1173 PolarHBondContact O-N 3.1Å; L1169-F1173 VanDerWaalsContact O-N 3.1Å; F1173-N1175 VanDerWaalsContact C-N 3.28Å; F1173-N1175 PolarHBondContact O-N 2.56Å; F1173-N1175 VanDerWaalsContact O-N 3.09Å; F1173-A1176 WeakPolarHBondContact O-CA 3.36Å; F1173-A1176 WeakPolarHBondContact O-CB 3.24Å; F1173-A1176 PolarHBondContact O-N 3.32Å; F1173-L1177 HydrophobicContact CB-CD1 3.91Å; F1173-L1177 HydrophobicContact CB-CG 4.06Å; F1173-L1177 WeakPolarHBondContact O-CG 3.36Å; F1173-L1177 PolarHBondContact O-N 2.91Å; F1173-L1177 VanDerWaalsContact O-N 3.07Å |
| 1174 | I | 90.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52.8 | -41.7 | -168.1 | -163.5 | 58.6 | 0 | 0 | 0 | 113.9 | V1170 H1171 E1172 A1176 L1177 I1178 I1203 L1207 Y1214 | V1170-I1174 WeakPolarHBondContact O-CB 3.35Å; V1170-I1174 PolarHBondContact O-N 3.17Å; V1170-I1174 VanDerWaalsContact O-N 3.08Å; H1171-I1174 WeakPolarHBondContact O-CG2 3.47Å; E1172-I1174 VanDerWaalsContact C-N 3.31Å; E1172-I1174 PolarHBondContact O-N 3.3Å; I1174-A1176 PolarHBondContact O-N 3.02Å; I1174-L1177 PolarHBondContact O-N 3.41Å; I1174-I1178 HydrophobicContact CD1-CD1 3.87Å; I1174-I1178 HydrophobicContact CD1-CG1 3.64Å; I1174-I1178 HydrophobicContact CG1-CG1 3.95Å; I1174-I1178 WeakPolarHBondContact O-CG1 3.36Å; I1174-I1178 PolarHBondContact O-N 2.88Å; I1174-I1178 VanDerWaalsContact O-N 3.09Å; I1174-I1203 HydrophobicContact CD1-CG2 3.6Å; I1174-L1207 HydrophobicContact CD1-CD1 3.53Å; I1174-L1207 HydrophobicContact CG1-CD1 3.85Å; I1174-Y1214 HydrophobicContact CG1-CD1 4.17Å; I1174-Y1214 HydrophobicContact CG1-CD2 3.97Å; I1174-Y1214 HydrophobicContact CG1-CE1 4.32Å; I1174-Y1214 HydrophobicContact CG1-CE2 4.13Å; I1174-Y1214 HydrophobicContact CG1-CG 4Å; I1174-Y1214 HydrophobicContact CG2-CD1 4.17Å; I1174-Y1214 HydrophobicContact CG2-CE1 3.62Å; I1174-Y1214 HydrophobicContact CG2-CE2 4.31Å |
| 1175 | N | 88.5 | Confident | 89.7 | Confident | 115 Ų | 115 | 41.3 Ų | 41.3 | 62% | 0.615 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -68.2 | -18.9 | -179.2 | -64.6 | -67 | 0 | 0 | 0 | 113.6 | F1173 | F1173-N1175 VanDerWaalsContact C-N 3.28Å; F1173-N1175 PolarHBondContact O-N 2.56Å; F1173-N1175 VanDerWaalsContact O-N 3.09Å |
| 1176 | A | 88.6 | Confident | 89.5 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -96.1 | -30 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1140 F1173 I1174 | T1140-A1176 HydrophobicContact CG2-CB 3.9Å; T1140-A1176 WeakPolarHBondContact CG2-O 3.33Å; F1173-A1176 WeakPolarHBondContact O-CA 3.36Å; F1173-A1176 WeakPolarHBondContact O-CB 3.24Å; F1173-A1176 PolarHBondContact O-N 3.32Å; I1174-A1176 PolarHBondContact O-N 3.02Å |
| 1177 | L | 91.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -74.9 | -46.4 | -179.5 | -63.5 | 172.6 | 0 | 0 | 0 | 113 | L1136 Q1158 I1162 F1173 I1174 L1181 I1203 | L1136-L1177 HydrophobicContact CD2-CD2 4.26Å; Q1158-L1177 HydrophobicContact CG-CD2 4.36Å; I1162-L1177 HydrophobicContact CD1-CD1 4.23Å; F1173-L1177 HydrophobicContact CB-CD1 3.91Å; F1173-L1177 HydrophobicContact CB-CG 4.06Å; F1173-L1177 WeakPolarHBondContact O-CG 3.36Å; F1173-L1177 PolarHBondContact O-N 2.91Å; F1173-L1177 VanDerWaalsContact O-N 3.07Å; I1174-L1177 PolarHBondContact O-N 3.41Å; L1177-L1181 WeakPolarHBondContact O-CG 3.44Å; L1177-L1181 PolarHBondContact O-N 3.27Å; L1177-I1203 HydrophobicContact CB-CD1 4.38Å; L1177-I1203 HydrophobicContact CD1-CD1 4.38Å |
| 1178 | I | 91 | Very high | 89.3 | Confident | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | -169.7 | -67.8 | -69.6 | 0 | 0 | 0 | 113.9 | I1174 G1180 L1181 V1182 L1200 L1215 | I1174-I1178 HydrophobicContact CD1-CD1 3.87Å; I1174-I1178 HydrophobicContact CD1-CG1 3.64Å; I1174-I1178 HydrophobicContact CG1-CG1 3.95Å; I1174-I1178 WeakPolarHBondContact O-CG1 3.36Å; I1174-I1178 PolarHBondContact O-N 2.88Å; I1174-I1178 VanDerWaalsContact O-N 3.09Å; I1178-G1180 PolarHBondContact O-N 2.86Å; I1178-L1181 PolarHBondContact O-N 3.32Å; I1178-V1182 HydrophobicContact CG2-CG2 3.89Å; I1178-V1182 WeakPolarHBondContact O-CG2 3.43Å; I1178-V1182 PolarHBondContact O-N 3.49Å; I1178-L1200 HydrophobicContact CD1-CD2 3.81Å; I1178-L1215 HydrophobicContact CD1-CD2 4.07Å; I1178-L1215 HydrophobicContact CG2-CD2 4.18Å |
| 1179 | P | 88.2 | Confident | 89.1 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.6 | -51 | -176.9 | -27.3 | 36.2 | 0 | 0 | 0 | 113.5 | L1181 V1182 I1183 | P1179-L1181 VanDerWaalsContact C-N 3.34Å; P1179-L1181 PolarHBondContact O-N 3.33Å; P1179-V1182 PolarHBondContact O-N 3.05Å; P1179-I1183 WeakPolarHBondContact O-CG1 3.41Å; P1179-I1183 PolarHBondContact O-N 3.18Å |
| 1180 | G | 87.5 | Confident | 89.1 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1144 I1178 I1183 A1184 | N1144-G1180 WeakPolarHBondContact OD1-CA 3.48Å; N1144-G1180 PolarHBondContact OD1-N 2.98Å; I1178-G1180 PolarHBondContact O-N 2.86Å; G1180-I1183 PolarHBondContact O-N 2.94Å; G1180-A1184 VanDerWaalsContact O-CB 3.25Å; G1180-A1184 WeakPolarHBondContact O-CB 3.19Å; G1180-A1184 PolarHBondContact O-N 3.09Å |
| 1181 | L | 91.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.4 | -34.6 | 177 | -66.8 | 176.2 | 0 | 0 | 0 | 112.9 | I1155 L1177 I1178 P1179 A1184 C1185 C1199 L1200 I1203 | I1155-L1181 HydrophobicContact CG2-CD2 4.21Å; L1177-L1181 WeakPolarHBondContact O-CG 3.44Å; L1177-L1181 PolarHBondContact O-N 3.27Å; I1178-L1181 PolarHBondContact O-N 3.32Å; P1179-L1181 VanDerWaalsContact C-N 3.34Å; P1179-L1181 PolarHBondContact O-N 3.33Å; L1181-A1184 PolarHBondContact O-N 2.89Å; L1181-C1185 WeakPolarHBondContact O-CB 3.33Å; L1181-C1185 PolarHBondContact O-N 3.4Å; L1181-C1185 PolarHBondContact O-SG 3.09Å; L1181-C1199 HydrophobicContact CD1-CB 4.27Å; L1181-C1199 HydrophobicContact CD2-CB 3.86Å; L1181-L1200 HydrophobicContact CB-CD2 3.94Å; L1181-L1200 HydrophobicContact CB-CG 4.19Å; L1181-L1200 HydrophobicContact CD1-CD2 3.95Å; L1181-L1200 HydrophobicContact CD1-CG 4.4Å; L1181-I1203 HydrophobicContact CD1-CD1 3.53Å |
| 1182 | V | 89.8 | Confident | 89.2 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.8 | -39.6 | 173.6 | 170.9 | 0 | 0 | 0 | 0 | 111 | I1178 P1179 C1185 N1186 L1215 E1217 | I1178-V1182 HydrophobicContact CG2-CG2 3.89Å; I1178-V1182 WeakPolarHBondContact O-CG2 3.43Å; I1178-V1182 PolarHBondContact O-N 3.49Å; P1179-V1182 PolarHBondContact O-N 3.05Å; V1182-C1185 PolarHBondContact O-N 2.79Å; V1182-N1186 PolarHBondContact O-ND2 3.27Å; V1182-L1215 HydrophobicContact CG2-CD2 3.97Å; V1182-E1217 HydrophobicContact CG1-CB 4.41Å |
| 1183 | I | 87.5 | Confident | 89.3 | Confident | 88 Ų | 88 | 48.6 Ų | 48.6 | 45% | 0.451 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.4 | -49.4 | 171.8 | -67.1 | 165.4 | 0 | 0 | 0 | 110.3 | P1179 G1180 C1185 N1186 H1187 | P1179-I1183 WeakPolarHBondContact O-CG1 3.41Å; P1179-I1183 PolarHBondContact O-N 3.18Å; G1180-I1183 PolarHBondContact O-N 2.94Å; I1183-C1185 VanDerWaalsContact C-N 3.27Å; I1183-C1185 PolarHBondContact O-N 3.42Å; I1183-N1186 WeakPolarHBondContact O-CA 3.49Å; I1183-N1186 WeakPolarHBondContact O-CB 3.38Å; I1183-N1186 PolarHBondContact O-N 2.76Å; I1183-H1187 PolarHBondContact O-N 2.98Å |
| 1184 | A | 88.6 | Confident | 89.4 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.5 | -32.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1155 G1180 L1181 N1186 H1187 I1192 | I1155-A1184 HydrophobicContact CD1-CB 3.77Å; G1180-A1184 VanDerWaalsContact O-CB 3.25Å; G1180-A1184 WeakPolarHBondContact O-CB 3.19Å; G1180-A1184 PolarHBondContact O-N 3.09Å; L1181-A1184 PolarHBondContact O-N 2.89Å; A1184-N1186 PolarHBondContact O-N 2.96Å; A1184-N1186 VanDerWaalsContact O-N 3.11Å; A1184-H1187 VanDerWaalsContact O-CB 3.26Å; A1184-H1187 WeakPolarHBondContact O-CB 3.46Å; A1184-H1187 PolarHBondContact O-N 2.89Å; A1184-H1187 VanDerWaalsContact O-N 3.1Å; A1184-I1192 HydrophobicContact CB-CG2 3.89Å |
| 1185 | C | 88.7 | Confident | 89.6 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -15.1 | 171.3 | -75 | 0 | 0 | 0 | 0 | 114 | L1181 V1182 I1183 S1196 L1218 K1222 | L1181-C1185 WeakPolarHBondContact O-CB 3.33Å; L1181-C1185 PolarHBondContact O-N 3.4Å; L1181-C1185 PolarHBondContact O-SG 3.09Å; V1182-C1185 PolarHBondContact O-N 2.79Å; I1183-C1185 VanDerWaalsContact C-N 3.27Å; I1183-C1185 PolarHBondContact O-N 3.42Å; C1185-S1196 WeakPolarHBondContact CA-OG 3.37Å; C1185-S1196 PolarHBondContact N-OG 3.17Å; C1185-S1196 PolarHBondContact SG-OG 3.42Å; C1185-L1218 HydrophobicContact CB-CD1 4.41Å; C1185-K1222 PolarHBondContact O-NZ 2.82Å |
| 1186 | N | 86.7 | Confident | 89.8 | Confident | 104 Ų | 104 | 48.7 Ų | 48.7 | 56% | 0.556 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -3.3 | 176.2 | -66 | -71.5 | 0 | 0 | 0 | 113.8 | V1182 I1183 A1184 K1222 | V1182-N1186 PolarHBondContact O-ND2 3.27Å; I1183-N1186 WeakPolarHBondContact O-CA 3.49Å; I1183-N1186 WeakPolarHBondContact O-CB 3.38Å; I1183-N1186 PolarHBondContact O-N 2.76Å; A1184-N1186 PolarHBondContact O-N 2.96Å; A1184-N1186 VanDerWaalsContact O-N 3.11Å; N1186-K1222 PolarHBondContact OD1-NZ 3.04Å |
| 1187 | H | 88 | Confident | 89.9 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 22% | 0.218 | 25% | 0.251 | C | S | . | . | trans | -59.6 | 154.8 | -176.2 | -165.9 | -93.2 | 0 | 0 | 0 | 113.8 | I1183 A1184 E1189 I1192 R1193 | I1183-H1187 PolarHBondContact O-N 2.98Å; A1184-H1187 VanDerWaalsContact O-CB 3.26Å; A1184-H1187 WeakPolarHBondContact O-CB 3.46Å; A1184-H1187 PolarHBondContact O-N 2.89Å; A1184-H1187 VanDerWaalsContact O-N 3.1Å; H1187-E1189 PolarHBondContact ND1-N 3Å; H1187-E1189 VanDerWaalsContact ND1-N 3.2Å; H1187-I1192 HydrophobicContact CB-CB 4.2Å; H1187-I1192 HydrophobicContact CB-CG2 3.6Å; H1187-I1192 VanDerWaalsContact CE1-CD1 3.42Å; H1187-I1192 WeakPolarHBondContact CE1-CD1 3.31Å; H1187-R1193 VanDerWaalsContact O-CD 3.24Å; H1187-R1193 WeakPolarHBondContact O-CD 3.39Å; H1187-R1193 WeakPolarHBondContact O-CG 3.47Å; H1187-R1193 PolarHBondContact O-NH1 3.4Å | ||
| 1188 | E | 87.6 | Confident | 90 | Very high | 183 Ų | 183 | 50.7 Ų | 50.7 | 86% | 0.855 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -69.6 | -40.2 | -176.3 | -60.5 | -168.6 | 163.5 | 0 | 0 | 113.8 | S1190 R1193 | E1188-S1190 PolarHBondContact O-N 3.11Å; E1188-R1193 PolarHBondContact O-NH1 2.98Å |
| 1189 | E | 86.3 | Confident | 90.2 | Very high | 85 Ų | 85 | 50.1 Ų | 50.1 | 40% | 0.397 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -66.3 | 128.5 | 172.9 | -69.7 | -167.6 | 176.9 | 0 | 0 | 112.4 | H1187 A1191 I1192 R1193 | H1187-E1189 PolarHBondContact ND1-N 3Å; H1187-E1189 VanDerWaalsContact ND1-N 3.2Å; E1189-A1191 VanDerWaalsContact C-N 3.26Å; E1189-A1191 PolarHBondContact O-N 3.21Å; E1189-I1192 HydrophobicContact CB-CB 4.32Å; E1189-I1192 HydrophobicContact CB-CD1 4.27Å; E1189-I1192 HydrophobicContact CB-CG1 4.35Å; E1189-I1192 PolarHBondContact O-N 2.6Å; E1189-I1192 WeakPolarHBondContact OE2-CD1 3.26Å; E1189-R1193 PolarHBondContact O-N 3.3Å |
| 1190 | S | 90.9 | Very high | 90.4 | Very high | 84 Ų | 84 | 47.5 Ų | 47.5 | 59% | 0.587 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.1 | -28.2 | 174.5 | 60 | 0 | 0 | 0 | 0 | 113.3 | E1188 K1194 | E1188-S1190 PolarHBondContact O-N 3.11Å; S1190-K1194 WeakPolarHBondContact O-CB 3.29Å; S1190-K1194 PolarHBondContact O-N 2.68Å |
| 1191 | A | 91.1 | Very high | 90.6 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 33% | 0.331 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65 | -44.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L1152 E1189 K1194 A1195 | L1152-A1191 HydrophobicContact CD1-CB 3.91Å; L1152-A1191 HydrophobicContact CD2-CB 3.71Å; L1152-A1191 HydrophobicContact CG-CB 4.47Å; E1189-A1191 VanDerWaalsContact C-N 3.26Å; E1189-A1191 PolarHBondContact O-N 3.21Å; A1191-K1194 PolarHBondContact O-N 2.83Å; A1191-A1195 WeakPolarHBondContact O-CB 3.47Å; A1191-A1195 PolarHBondContact O-N 3.4Å |
| 1192 | I | 91.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.8 | -44.9 | 177.3 | -71.4 | 170.3 | 0 | 0 | 0 | 110.5 | N1151 L1152 I1155 A1184 H1187 E1189 K1194 A1195 S1196 | N1151-I1192 HydrophobicContact CB-CD1 3.98Å; L1152-I1192 HydrophobicContact CB-CD1 4.28Å; L1152-I1192 HydrophobicContact CB-CG1 3.78Å; L1152-I1192 HydrophobicContact CD1-CG1 4.13Å; L1152-I1192 HydrophobicContact CG-CG1 4.48Å; I1155-I1192 HydrophobicContact CD1-CG2 3.92Å; A1184-I1192 HydrophobicContact CB-CG2 3.89Å; H1187-I1192 HydrophobicContact CB-CB 4.2Å; H1187-I1192 HydrophobicContact CB-CG2 3.6Å; H1187-I1192 VanDerWaalsContact CE1-CD1 3.42Å; H1187-I1192 WeakPolarHBondContact CE1-CD1 3.31Å; E1189-I1192 HydrophobicContact CB-CB 4.32Å; E1189-I1192 HydrophobicContact CB-CD1 4.27Å; E1189-I1192 HydrophobicContact CB-CG1 4.35Å; E1189-I1192 PolarHBondContact O-N 2.6Å; E1189-I1192 WeakPolarHBondContact OE2-CD1 3.26Å; I1192-K1194 VanDerWaalsContact C-N 3.26Å; I1192-K1194 PolarHBondContact O-N 2.9Å; I1192-A1195 PolarHBondContact O-N 3Å; I1192-S1196 WeakPolarHBondContact O-CB 3.24Å; I1192-S1196 PolarHBondContact O-N 3.04Å; I1192-S1196 PolarHBondContact O-OG 2.69Å; I1192-S1196 VanDerWaalsContact O-OG 3.13Å |
| 1193 | R | 92.1 | Very high | 90.9 | Very high | 96 Ų | 96 | 47.5 Ų | 47.5 | 36% | 0.362 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.9 | -35.8 | 173.4 | -65 | -164.5 | -59.7 | -84.5 | 3.4 | 113.2 | H1187 E1188 E1189 S1196 V1197 | H1187-R1193 VanDerWaalsContact O-CD 3.24Å; H1187-R1193 WeakPolarHBondContact O-CD 3.39Å; H1187-R1193 WeakPolarHBondContact O-CG 3.47Å; H1187-R1193 PolarHBondContact O-NH1 3.4Å; E1188-R1193 PolarHBondContact O-NH1 2.98Å; E1189-R1193 PolarHBondContact O-N 3.3Å; R1193-S1196 PolarHBondContact O-OG 3.31Å; R1193-V1197 WeakPolarHBondContact O-CG2 3.44Å; R1193-V1197 PolarHBondContact O-N 2.84Å |
| 1194 | K | 92.7 | Very high | 91 | Very high | 135 Ų | 135 | 43.5 Ų | 43.5 | 59% | 0.587 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -69.4 | -50.4 | 175.7 | -174.7 | 178.8 | 178.3 | -175.9 | 0 | 110.4 | S1190 A1191 I1192 S1196 V1197 F1198 | S1190-K1194 WeakPolarHBondContact O-CB 3.29Å; S1190-K1194 PolarHBondContact O-N 2.68Å; A1191-K1194 PolarHBondContact O-N 2.83Å; I1192-K1194 VanDerWaalsContact C-N 3.26Å; I1192-K1194 PolarHBondContact O-N 2.9Å; K1194-S1196 PolarHBondContact O-N 3.26Å; K1194-V1197 PolarHBondContact O-N 3.29Å; K1194-F1198 HydrophobicContact CD-CE2 4.33Å; K1194-F1198 HydrophobicContact CG-CD2 3.89Å; K1194-F1198 HydrophobicContact CG-CE2 3.73Å; K1194-F1198 VanDerWaalsContact O-CD2 3.28Å; K1194-F1198 WeakPolarHBondContact O-CD2 3.26Å; K1194-F1198 PolarHBondContact O-N 3.46Å; K1194-F1198 VanDerWaalsContact O-N 3.1Å |
| 1195 | A | 93 | Very high | 91.2 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 11% | 0.107 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -41.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1152 I1155 A1191 I1192 V1197 F1198 C1199 | L1152-A1195 HydrophobicContact CD1-CB 3.89Å; I1155-A1195 HydrophobicContact CB-CB 4.26Å; I1155-A1195 HydrophobicContact CG2-CB 3.75Å; A1191-A1195 WeakPolarHBondContact O-CB 3.47Å; A1191-A1195 PolarHBondContact O-N 3.4Å; I1192-A1195 PolarHBondContact O-N 3Å; A1195-V1197 PolarHBondContact O-N 2.87Å; A1195-F1198 PolarHBondContact O-N 3.41Å; A1195-C1199 PolarHBondContact O-N 3.07Å |
| 1196 | S | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 178.3 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | C1185 I1192 R1193 K1194 C1199 L1200 | C1185-S1196 WeakPolarHBondContact CA-OG 3.37Å; C1185-S1196 PolarHBondContact N-OG 3.17Å; C1185-S1196 PolarHBondContact SG-OG 3.42Å; I1192-S1196 WeakPolarHBondContact O-CB 3.24Å; I1192-S1196 PolarHBondContact O-N 3.04Å; I1192-S1196 PolarHBondContact O-OG 2.69Å; I1192-S1196 VanDerWaalsContact O-OG 3.13Å; R1193-S1196 PolarHBondContact O-OG 3.31Å; K1194-S1196 PolarHBondContact O-N 3.26Å; S1196-C1199 PolarHBondContact O-N 2.96Å; S1196-L1200 WeakPolarHBondContact O-CG 3.11Å; S1196-L1200 PolarHBondContact O-N 2.87Å |
| 1197 | V | 92.4 | Very high | 91.3 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 15% | 0.152 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 172 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | R1193 K1194 A1195 C1199 L1200 V1201 L1226 Y1229 | R1193-V1197 WeakPolarHBondContact O-CG2 3.44Å; R1193-V1197 PolarHBondContact O-N 2.84Å; K1194-V1197 PolarHBondContact O-N 3.29Å; A1195-V1197 PolarHBondContact O-N 2.87Å; V1197-C1199 VanDerWaalsContact C-N 3.32Å; V1197-C1199 PolarHBondContact O-N 3.33Å; V1197-L1200 PolarHBondContact O-N 2.93Å; V1197-V1201 VanDerWaalsContact O-CG2 3.28Å; V1197-V1201 WeakPolarHBondContact O-CG2 3.33Å; V1197-V1201 PolarHBondContact O-N 3.41Å; V1197-L1226 HydrophobicContact CG1-CD1 4.44Å; V1197-Y1229 HydrophobicContact CG1-CD2 3.73Å; V1197-Y1229 HydrophobicContact CG1-CE2 4.09Å; V1197-Y1229 HydrophobicContact CG1-CG 4.37Å |
| 1198 | F | 93.3 | Very high | 91.2 | Very high | 63 Ų | 63 | 45.3 Ų | 45.3 | 28% | 0.276 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.2 | -33.8 | 176.5 | -79 | -76.4 | 0 | 0 | 0 | 113 | M1159 K1194 A1195 V1201 A1202 Y1229 | M1159-F1198 HydrophobicContact SD-CB 3.66Å; K1194-F1198 HydrophobicContact CD-CE2 4.33Å; K1194-F1198 HydrophobicContact CG-CD2 3.89Å; K1194-F1198 HydrophobicContact CG-CE2 3.73Å; K1194-F1198 VanDerWaalsContact O-CD2 3.28Å; K1194-F1198 WeakPolarHBondContact O-CD2 3.26Å; K1194-F1198 PolarHBondContact O-N 3.46Å; K1194-F1198 VanDerWaalsContact O-N 3.1Å; A1195-F1198 PolarHBondContact O-N 3.41Å; F1198-V1201 PolarHBondContact O-N 3.16Å; F1198-A1202 PolarHBondContact O-N 3.48Å; F1198-Y1229 HydrophobicContact CE1-CD1 4.46Å; F1198-Y1229 HydrophobicContact CZ-CD1 4.34Å; F1198-Y1229 HydrophobicContact CZ-CE1 4.06Å |
| 1199 | C | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.3 | -44.1 | 172.4 | -163.6 | 0 | 0 | 0 | 0 | 111.9 | I1155 M1159 L1181 A1195 S1196 V1197 V1201 A1202 I1203 | I1155-C1199 HydrophobicContact CG2-CB 3.98Å; M1159-C1199 HydrophobicContact CB-CB 4.19Å; L1181-C1199 HydrophobicContact CD1-CB 4.27Å; L1181-C1199 HydrophobicContact CD2-CB 3.86Å; A1195-C1199 PolarHBondContact O-N 3.07Å; S1196-C1199 PolarHBondContact O-N 2.96Å; V1197-C1199 VanDerWaalsContact C-N 3.32Å; V1197-C1199 PolarHBondContact O-N 3.33Å; C1199-V1201 VanDerWaalsContact C-N 3.31Å; C1199-V1201 PolarHBondContact O-N 2.88Å; C1199-A1202 WeakPolarHBondContact O-CB 3.47Å; C1199-A1202 PolarHBondContact O-N 2.85Å; C1199-A1202 VanDerWaalsContact O-N 3.12Å; C1199-I1203 WeakPolarHBondContact O-CG1 3.44Å; C1199-I1203 PolarHBondContact O-N 3.25Å |
| 1200 | L | 92.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -35.3 | 173.6 | -72.8 | 176.1 | 0 | 0 | 0 | 112.8 | I1178 L1181 S1196 V1197 I1203 A1204 I1211 L1215 L1226 | I1178-L1200 HydrophobicContact CD1-CD2 3.81Å; L1181-L1200 HydrophobicContact CB-CD2 3.94Å; L1181-L1200 HydrophobicContact CB-CG 4.19Å; L1181-L1200 HydrophobicContact CD1-CD2 3.95Å; L1181-L1200 HydrophobicContact CD1-CG 4.4Å; S1196-L1200 WeakPolarHBondContact O-CG 3.11Å; S1196-L1200 PolarHBondContact O-N 2.87Å; V1197-L1200 PolarHBondContact O-N 2.93Å; L1200-I1203 HydrophobicContact CD2-CD1 4.49Å; L1200-I1203 PolarHBondContact O-N 3.28Å; L1200-A1204 WeakPolarHBondContact O-CB 3.25Å; L1200-A1204 PolarHBondContact O-N 3.35Å; L1200-I1211 WeakPolarHBondContact O-CD1 3.45Å; L1200-L1215 HydrophobicContact CD1-CD2 4.38Å; L1200-L1215 HydrophobicContact CD2-CD2 4.05Å; L1200-L1226 HydrophobicContact CB-CD1 3.88Å; L1200-L1226 HydrophobicContact CB-CD2 4.3Å; L1200-L1226 HydrophobicContact CD1-CD2 4.45Å |
| 1201 | V | 92.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.024 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.5 | -40.5 | 172.6 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | V1197 F1198 C1199 I1203 A1204 M1205 L1226 I1230 Q1233 | V1197-V1201 VanDerWaalsContact O-CG2 3.28Å; V1197-V1201 WeakPolarHBondContact O-CG2 3.33Å; V1197-V1201 PolarHBondContact O-N 3.41Å; F1198-V1201 PolarHBondContact O-N 3.16Å; C1199-V1201 VanDerWaalsContact C-N 3.31Å; C1199-V1201 PolarHBondContact O-N 2.88Å; V1201-I1203 VanDerWaalsContact C-N 3.32Å; V1201-I1203 PolarHBondContact O-N 3.07Å; V1201-A1204 PolarHBondContact O-N 2.82Å; V1201-M1205 HydrophobicContact CG1-CG 4.49Å; V1201-M1205 WeakPolarHBondContact O-CG 3.08Å; V1201-M1205 PolarHBondContact O-N 2.9Å; V1201-L1226 HydrophobicContact CG2-CD1 3.59Å; V1201-I1230 HydrophobicContact CG1-CG1 4.3Å; V1201-I1230 HydrophobicContact CG2-CG1 4.26Å; V1201-Q1233 HydrophobicContact CG1-CB 4.18Å; V1201-Q1233 HydrophobicContact CG1-CG 3.67Å |
| 1202 | A | 92.7 | Very high | 90.7 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 7% | 0.074 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -37.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1159 I1162 Q1163 F1198 C1199 M1205 K1206 | M1159-A1202 HydrophobicContact CG-CB 4.1Å; I1162-A1202 HydrophobicContact CG2-CB 4.09Å; Q1163-A1202 HydrophobicContact CG-CB 4.02Å; F1198-A1202 PolarHBondContact O-N 3.48Å; C1199-A1202 WeakPolarHBondContact O-CB 3.47Å; C1199-A1202 PolarHBondContact O-N 2.85Å; C1199-A1202 VanDerWaalsContact O-N 3.12Å; A1202-M1205 PolarHBondContact O-N 3.36Å; A1202-K1206 WeakPolarHBondContact O-CG 3.3Å |
| 1203 | I | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.8 | -43.5 | 171.8 | -64.7 | 172.4 | 0 | 0 | 0 | 110.9 | I1162 V1170 I1174 L1177 L1181 C1199 L1200 V1201 M1205 K1206 L1207 I1211 | I1162-I1203 HydrophobicContact CD1-CD1 4.06Å; I1162-I1203 HydrophobicContact CD1-CG1 3.84Å; I1162-I1203 HydrophobicContact CG2-CG1 3.99Å; V1170-I1203 HydrophobicContact CG1-CG2 4.18Å; I1174-I1203 HydrophobicContact CD1-CG2 3.6Å; L1177-I1203 HydrophobicContact CB-CD1 4.38Å; L1177-I1203 HydrophobicContact CD1-CD1 4.38Å; L1181-I1203 HydrophobicContact CD1-CD1 3.53Å; C1199-I1203 WeakPolarHBondContact O-CG1 3.44Å; C1199-I1203 PolarHBondContact O-N 3.25Å; L1200-I1203 HydrophobicContact CD2-CD1 4.49Å; L1200-I1203 PolarHBondContact O-N 3.28Å; V1201-I1203 VanDerWaalsContact C-N 3.32Å; V1201-I1203 PolarHBondContact O-N 3.07Å; I1203-M1205 VanDerWaalsContact C-N 3.28Å; I1203-M1205 PolarHBondContact O-N 2.92Å; I1203-K1206 WeakPolarHBondContact O-CA 3.44Å; I1203-K1206 PolarHBondContact O-N 3.48Å; I1203-L1207 HydrophobicContact CG2-CD1 3.84Å; I1203-L1207 HydrophobicContact CG2-CG 4.27Å; I1203-L1207 PolarHBondContact O-N 2.92Å; I1203-I1211 HydrophobicContact CB-CD1 4.08Å; I1203-I1211 HydrophobicContact CG2-CD1 3.77Å; I1203-I1211 HydrophobicContact CG2-CG1 4.22Å |
| 1204 | A | 91.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -33.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1200 V1201 K1206 G1208 I1211 I1230 | L1200-A1204 WeakPolarHBondContact O-CB 3.25Å; L1200-A1204 PolarHBondContact O-N 3.35Å; V1201-A1204 PolarHBondContact O-N 2.82Å; A1204-K1206 PolarHBondContact O-N 3.4Å; A1204-G1208 WeakPolarHBondContact O-CA 3.37Å; A1204-G1208 PolarHBondContact O-N 3.34Å; A1204-I1211 HydrophobicContact CB-CD1 3.86Å; A1204-I1211 HydrophobicContact CB-CG2 4.1Å; A1204-I1230 HydrophobicContact CB-CD1 3.48Å; A1204-I1230 VanDerWaalsContact CB-CD1 3.48Å; A1204-I1230 HydrophobicContact CB-CG1 3.76Å |
| 1205 | M | 91.4 | Very high | 89.9 | Confident | 83 Ų | 83 | 36.3 Ų | 36.3 | 41% | 0.409 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -70.9 | -7.2 | 172.7 | -65.4 | -59.2 | -63.7 | 0 | 0 | 113.8 | V1201 A1202 I1203 Q1233 Q1234 | V1201-M1205 HydrophobicContact CG1-CG 4.49Å; V1201-M1205 WeakPolarHBondContact O-CG 3.08Å; V1201-M1205 PolarHBondContact O-N 2.9Å; A1202-M1205 PolarHBondContact O-N 3.36Å; I1203-M1205 VanDerWaalsContact C-N 3.28Å; I1203-M1205 PolarHBondContact O-N 2.92Å; M1205-Q1233 HydrophobicContact SD-CB 4.19Å; M1205-Q1234 HydrophobicContact CE-CG 4.08Å; M1205-Q1234 HydrophobicContact SD-CG 3.68Å |
| 1206 | K | 89.7 | Confident | 89.3 | Confident | 64 Ų | 64 | 40.5 Ų | 40.5 | 28% | 0.278 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -108.1 | -32.7 | 175.6 | -63.4 | -75.8 | 175.5 | 165.3 | 0 | 113.1 | I1162 Q1163 S1165 P1167 V1170 A1202 I1203 A1204 | I1162-K1206 HydrophobicContact CG2-CG 4.48Å; I1162-K1206 VanDerWaalsContact O-CE 3.23Å; I1162-K1206 WeakPolarHBondContact O-CE 3.31Å; Q1163-K1206 WeakPolarHBondContact O-CE 3.39Å; Q1163-K1206 PolarHBondContact O-NZ 2.78Å; S1165-K1206 WeakPolarHBondContact O-CE 3.46Å; S1165-K1206 PolarHBondContact O-NZ 3.47Å; P1167-K1206 WeakPolarHBondContact CB-O 3.11Å; V1170-K1206 HydrophobicContact CB-CB 4.44Å; V1170-K1206 HydrophobicContact CG1-CB 4.25Å; V1170-K1206 HydrophobicContact CG2-CB 4.45Å; V1170-K1206 HydrophobicContact CG2-CG 4.38Å; A1202-K1206 WeakPolarHBondContact O-CG 3.3Å; I1203-K1206 WeakPolarHBondContact O-CA 3.44Å; I1203-K1206 PolarHBondContact O-N 3.48Å; A1204-K1206 PolarHBondContact O-N 3.4Å |
| 1207 | L | 87.4 | Confident | 88.7 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 11% | 0.105 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -104.7 | -9.8 | -178.2 | -61 | -175.7 | 0 | 0 | 0 | 114.7 | V1170 H1171 I1174 I1203 D1210 | V1170-L1207 HydrophobicContact CG1-CD1 4.49Å; V1170-L1207 HydrophobicContact CG1-CD2 4.41Å; V1170-L1207 HydrophobicContact CG1-CG 4.27Å; H1171-L1207 HydrophobicContact CB-CD2 3.92Å; I1174-L1207 HydrophobicContact CD1-CD1 3.53Å; I1174-L1207 HydrophobicContact CG1-CD1 3.85Å; I1203-L1207 HydrophobicContact CG2-CD1 3.84Å; I1203-L1207 HydrophobicContact CG2-CG 4.27Å; I1203-L1207 PolarHBondContact O-N 2.92Å; L1207-D1210 PolarHBondContact O-N 3.5Å |
| 1208 | G | 87.3 | Confident | 88.2 | Confident | 37 Ų | 37 | 47.4 Ų | 47.4 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | 61.8 | -140.5 | -173 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1204 D1210 I1211 | A1204-G1208 WeakPolarHBondContact O-CA 3.37Å; A1204-G1208 PolarHBondContact O-N 3.34Å; G1208-D1210 VanDerWaalsContact C-N 3.27Å; G1208-D1210 PolarHBondContact O-N 3.38Å; G1208-I1211 WeakPolarHBondContact O-CG2 3.1Å |
| 1209 | D | 84.7 | Confident | 87.7 | Confident | 117 Ų | 117 | 49.5 Ų | 49.5 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -72.1 | -13.7 | -178.2 | -80.2 | -50.1 | 0 | 0 | 0 | 114.1 | I1211 W1212 | D1209-I1211 PolarHBondContact O-N 2.98Å; D1209-I1211 VanDerWaalsContact O-N 3.09Å; D1209-W1212 WeakPolarHBondContact O-CB 3.45Å; D1209-W1212 PolarHBondContact O-N 3.24Å; D1209-W1212 VanDerWaalsContact OD1-CD1 3.28Å; D1209-W1212 PolarHBondContact OD1-NE1 3.04Å |
| 1210 | D | 85.7 | Confident | 87.2 | Confident | 107 Ų | 107 | 52.5 Ų | 52.5 | 57% | 0.572 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -61.2 | -23.8 | 179 | -70.6 | -24.7 | 0 | 0 | 0 | 112.4 | L1207 G1208 W1212 S1213 Y1214 | L1207-D1210 PolarHBondContact O-N 3.5Å; G1208-D1210 VanDerWaalsContact C-N 3.27Å; G1208-D1210 PolarHBondContact O-N 3.38Å; D1210-W1212 PolarHBondContact O-N 3.25Å; D1210-W1212 VanDerWaalsContact O-N 3.14Å; D1210-S1213 WeakPolarHBondContact O-CB 3.45Å; D1210-S1213 PolarHBondContact O-N 3.36Å; D1210-S1213 VanDerWaalsContact O-N 3.09Å; D1210-S1213 PolarHBondContact O-OG 2.89Å; D1210-Y1214 WeakPolarHBondContact O-CD2 3.5Å |
| 1211 | I | 87 | Confident | 86.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.1 | -29.3 | 174.1 | -160.8 | 179.7 | 0 | 0 | 0 | 113 | L1200 I1203 A1204 G1208 D1209 S1213 Y1214 L1215 | L1200-I1211 WeakPolarHBondContact O-CD1 3.45Å; I1203-I1211 HydrophobicContact CB-CD1 4.08Å; I1203-I1211 HydrophobicContact CG2-CD1 3.77Å; I1203-I1211 HydrophobicContact CG2-CG1 4.22Å; A1204-I1211 HydrophobicContact CB-CD1 3.86Å; A1204-I1211 HydrophobicContact CB-CG2 4.1Å; G1208-I1211 WeakPolarHBondContact O-CG2 3.1Å; D1209-I1211 PolarHBondContact O-N 2.98Å; D1209-I1211 VanDerWaalsContact O-N 3.09Å; I1211-S1213 PolarHBondContact O-N 3.12Å; I1211-Y1214 PolarHBondContact O-N 2.68Å; I1211-L1215 HydrophobicContact CD1-CD1 4.04Å; I1211-L1215 HydrophobicContact CG1-CD1 3.88Å; I1211-L1215 HydrophobicContact CG1-CG 4.24Å; I1211-L1215 WeakPolarHBondContact O-CG 3.39Å; I1211-L1215 PolarHBondContact O-N 3.48Å |
| 1212 | W | 88.2 | Confident | 86.5 | Confident | 74 Ų | 74 | 57.4 Ų | 57.4 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66 | -24.3 | -179.4 | -59.6 | 120.1 | 0 | 0 | 0 | 112.8 | D1209 D1210 L1215 K1223 L1226 K1227 I1230 | D1209-W1212 WeakPolarHBondContact O-CB 3.45Å; D1209-W1212 PolarHBondContact O-N 3.24Å; D1209-W1212 VanDerWaalsContact OD1-CD1 3.28Å; D1209-W1212 PolarHBondContact OD1-NE1 3.04Å; D1210-W1212 PolarHBondContact O-N 3.25Å; D1210-W1212 VanDerWaalsContact O-N 3.14Å; W1212-L1215 HydrophobicContact CE3-CD1 4.46Å; W1212-K1223 HydrophobicContact CZ3-CB 4.37Å; W1212-K1223 HydrophobicContact CZ3-CG 4.42Å; W1212-L1226 HydrophobicContact CH2-CD2 4.35Å; W1212-L1226 HydrophobicContact CH2-CG 4.34Å; W1212-L1226 HydrophobicContact CZ3-CD2 4.15Å; W1212-K1227 HydrophobicContact CH2-CB 3.91Å; W1212-K1227 HydrophobicContact CZ2-CB 4.16Å; W1212-I1230 HydrophobicContact CH2-CD1 4.02Å; W1212-I1230 HydrophobicContact CZ2-CD1 3.91Å |
| 1213 | S | 86.9 | Confident | 86.2 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 52% | 0.524 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70 | -33.5 | 175.9 | 72.5 | 0 | 0 | 0 | 0 | 112.9 | D1210 I1211 T1216 | D1210-S1213 WeakPolarHBondContact O-CB 3.45Å; D1210-S1213 PolarHBondContact O-N 3.36Å; D1210-S1213 VanDerWaalsContact O-N 3.09Å; D1210-S1213 PolarHBondContact O-OG 2.89Å; I1211-S1213 PolarHBondContact O-N 3.12Å; S1213-T1216 WeakPolarHBondContact O-CG2 3.48Å |
| 1214 | Y | 85 | Confident | 85.9 | Confident | 66 Ų | 66 | 68.8 Ų | 68.8 | 26% | 0.259 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -84.6 | -25.4 | 180 | -60.4 | -81.8 | 0 | 0 | 0 | 113.1 | I1174 D1210 I1211 T1216 | I1174-Y1214 HydrophobicContact CG1-CD1 4.17Å; I1174-Y1214 HydrophobicContact CG1-CD2 3.97Å; I1174-Y1214 HydrophobicContact CG1-CE1 4.32Å; I1174-Y1214 HydrophobicContact CG1-CE2 4.13Å; I1174-Y1214 HydrophobicContact CG1-CG 4Å; I1174-Y1214 HydrophobicContact CG2-CD1 4.17Å; I1174-Y1214 HydrophobicContact CG2-CE1 3.62Å; I1174-Y1214 HydrophobicContact CG2-CE2 4.31Å; D1210-Y1214 WeakPolarHBondContact O-CD2 3.5Å; I1211-Y1214 PolarHBondContact O-N 2.68Å; Y1214-T1216 PolarHBondContact O-N 3.05Å |
| 1215 | L | 85.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | trans | -85.3 | 28.8 | -175.7 | -68.4 | 175.7 | 0 | 0 | 0 | 114 | I1178 V1182 L1200 I1211 W1212 E1217 L1218 K1223 L1226 | I1178-L1215 HydrophobicContact CD1-CD2 4.07Å; I1178-L1215 HydrophobicContact CG2-CD2 4.18Å; V1182-L1215 HydrophobicContact CG2-CD2 3.97Å; L1200-L1215 HydrophobicContact CD1-CD2 4.38Å; L1200-L1215 HydrophobicContact CD2-CD2 4.05Å; I1211-L1215 HydrophobicContact CD1-CD1 4.04Å; I1211-L1215 HydrophobicContact CG1-CD1 3.88Å; I1211-L1215 HydrophobicContact CG1-CG 4.24Å; I1211-L1215 WeakPolarHBondContact O-CG 3.39Å; I1211-L1215 PolarHBondContact O-N 3.48Å; W1212-L1215 HydrophobicContact CE3-CD1 4.46Å; L1215-E1217 PolarHBondContact O-N 3.23Å; L1215-L1218 HydrophobicContact CB-CB 4.38Å; L1215-L1218 HydrophobicContact CD1-CD2 4.47Å; L1215-L1218 HydrophobicContact CD2-CD2 4.46Å; L1215-L1218 WeakPolarHBondContact O-CB 3.21Å; L1215-L1218 PolarHBondContact O-N 3.14Å; L1215-L1218 VanDerWaalsContact O-N 3.12Å; L1215-K1223 WeakPolarHBondContact O-CE 3.11Å; L1215-K1223 PolarHBondContact O-NZ 3.03Å; L1215-L1226 HydrophobicContact CD1-CD2 3.46Å; L1215-L1226 VanDerWaalsContact CD1-CD2 3.46Å | ||
| 1216 | T | 80.9 | Confident | 85.6 | Confident | 101 Ų | 101 | 68.8 Ų | 68.8 | 62% | 0.62 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -50.3 | -176.5 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | S1213 Y1214 L1218 K1223 | S1213-T1216 WeakPolarHBondContact O-CG2 3.48Å; Y1214-T1216 PolarHBondContact O-N 3.05Å; T1216-L1218 PolarHBondContact O-N 2.75Å; T1216-K1223 PolarHBondContact O-NZ 2.7Å |
| 1217 | E | 79.5 | Confident | 85.6 | Confident | 161 Ų | 161 | 70.6 Ų | 70.6 | 75% | 0.752 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17.2 | -178.2 | -58.1 | -174.7 | 164.2 | 0 | 0 | 114.6 | V1182 L1215 N1219 | V1182-E1217 HydrophobicContact CG1-CB 4.41Å; L1215-E1217 PolarHBondContact O-N 3.23Å; E1217-N1219 PolarHBondContact O-N 3.15Å |
| 1218 | L | 82 | Confident | 85.7 | Confident | 9 Ų | 9 | 75 Ų | 75 | 5% | 0.047 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -74.5 | 122.4 | -175.5 | -169.3 | 69.6 | 0 | 0 | 0 | 111.3 | C1185 L1215 T1216 A1220 K1222 K1223 L1226 | C1185-L1218 HydrophobicContact CB-CD1 4.41Å; L1215-L1218 HydrophobicContact CB-CB 4.38Å; L1215-L1218 HydrophobicContact CD1-CD2 4.47Å; L1215-L1218 HydrophobicContact CD2-CD2 4.46Å; L1215-L1218 WeakPolarHBondContact O-CB 3.21Å; L1215-L1218 PolarHBondContact O-N 3.14Å; L1215-L1218 VanDerWaalsContact O-N 3.12Å; T1216-L1218 PolarHBondContact O-N 2.75Å; L1218-A1220 PolarHBondContact O-N 3.26Å; L1218-K1222 HydrophobicContact CD1-CB 3.8Å; L1218-K1222 HydrophobicContact CD1-CD 3.87Å; L1218-K1222 HydrophobicContact CD1-CG 4.47Å; L1218-K1222 HydrophobicContact CD2-CB 4.14Å; L1218-K1222 HydrophobicContact CG-CB 3.81Å; L1218-K1223 HydrophobicContact CB-CG 4.26Å; L1218-K1223 HydrophobicContact CD2-CG 4.08Å; L1218-K1223 HydrophobicContact CG-CG 4.27Å; L1218-K1223 WeakPolarHBondContact O-CD 3.23Å; L1218-K1223 WeakPolarHBondContact O-CE 3.3Å; L1218-K1223 PolarHBondContact O-NZ 2.68Å; L1218-L1226 HydrophobicContact CD2-CD2 4.36Å |
| 1219 | N | 83 | Confident | 85.9 | Confident | 108 Ų | 108 | 77.1 Ų | 77.1 | 58% | 0.578 | 39% | 0.394 | S | S | * | . | trans | -49.4 | 136 | 177.5 | 178.9 | -36.6 | 0 | 0 | 0 | 111.9 | E1217 G1221 K1222 K1223 | E1217-N1219 PolarHBondContact O-N 3.15Å; N1219-G1221 PolarHBondContact O-N 3.37Å; N1219-G1221 VanDerWaalsContact O-N 3.1Å; N1219-G1221 PolarHBondContact OD1-N 3.21Å; N1219-K1222 WeakPolarHBondContact O-CA 3.09Å; N1219-K1222 WeakPolarHBondContact O-CB 3.43Å; N1219-K1222 PolarHBondContact O-N 3.48Å; N1219-K1223 PolarHBondContact O-N 3.39Å | ||
| 1220 | A | 84.5 | Confident | 86.1 | Confident | 62 Ų | 62 | 72 Ų | 72 | 51% | 0.512 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -50.3 | -35.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1218 K1223 R1224 | L1218-A1220 PolarHBondContact O-N 3.26Å; A1220-K1223 PolarHBondContact O-N 2.85Å; A1220-R1224 WeakPolarHBondContact O-CG 3.32Å; A1220-R1224 PolarHBondContact O-N 2.67Å |
| 1221 | G | 84.2 | Confident | 86.2 | Confident | 44 Ų | 44 | 70 Ų | 70 | 45% | 0.454 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | N1219 L1225 | N1219-G1221 PolarHBondContact O-N 3.37Å; N1219-G1221 VanDerWaalsContact O-N 3.1Å; N1219-G1221 PolarHBondContact OD1-N 3.21Å; G1221-L1225 PolarHBondContact O-N 2.8Å; G1221-L1225 VanDerWaalsContact O-N 3.13Å |
| 1222 | K | 85 | Confident | 86.3 | Confident | 64 Ų | 64 | 78.2 Ų | 78.2 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -74.9 | -34.1 | 175.4 | -64.3 | -174 | -177.7 | -175.3 | 0 | 112 | C1185 N1186 L1218 N1219 L1225 L1226 | C1185-K1222 PolarHBondContact O-NZ 2.82Å; N1186-K1222 PolarHBondContact OD1-NZ 3.04Å; L1218-K1222 HydrophobicContact CD1-CB 3.8Å; L1218-K1222 HydrophobicContact CD1-CD 3.87Å; L1218-K1222 HydrophobicContact CD1-CG 4.47Å; L1218-K1222 HydrophobicContact CD2-CB 4.14Å; L1218-K1222 HydrophobicContact CG-CB 3.81Å; N1219-K1222 WeakPolarHBondContact O-CA 3.09Å; N1219-K1222 WeakPolarHBondContact O-CB 3.43Å; N1219-K1222 PolarHBondContact O-N 3.48Å; K1222-L1225 PolarHBondContact O-N 3.37Å; K1222-L1226 WeakPolarHBondContact O-CB 3.07Å; K1222-L1226 PolarHBondContact O-N 2.94Å |
| 1223 | K | 86.6 | Confident | 86.2 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 24% | 0.243 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 170.7 | -75.1 | 174.9 | 166.8 | 144.5 | 0 | 112.1 | W1212 L1215 T1216 L1218 N1219 A1220 L1225 L1226 K1227 | W1212-K1223 HydrophobicContact CZ3-CB 4.37Å; W1212-K1223 HydrophobicContact CZ3-CG 4.42Å; L1215-K1223 WeakPolarHBondContact O-CE 3.11Å; L1215-K1223 PolarHBondContact O-NZ 3.03Å; T1216-K1223 PolarHBondContact O-NZ 2.7Å; L1218-K1223 HydrophobicContact CB-CG 4.26Å; L1218-K1223 HydrophobicContact CD2-CG 4.08Å; L1218-K1223 HydrophobicContact CG-CG 4.27Å; L1218-K1223 WeakPolarHBondContact O-CD 3.23Å; L1218-K1223 WeakPolarHBondContact O-CE 3.3Å; L1218-K1223 PolarHBondContact O-NZ 2.68Å; N1219-K1223 PolarHBondContact O-N 3.39Å; A1220-K1223 PolarHBondContact O-N 2.85Å; K1223-L1225 PolarHBondContact O-N 3.46Å; K1223-L1226 PolarHBondContact O-N 2.83Å; K1223-K1227 PolarHBondContact O-N 3.38Å |
| 1224 | R | 87.9 | Confident | 86 | Confident | 193 Ų | 193 | 79.2 Ų | 79.2 | 73% | 0.728 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.8 | -44.2 | 173.6 | -70.7 | 176.5 | -176.2 | -179.5 | 1.4 | 112.1 | A1220 K1227 L1228 | A1220-R1224 WeakPolarHBondContact O-CG 3.32Å; A1220-R1224 PolarHBondContact O-N 2.67Å; R1224-K1227 PolarHBondContact O-N 3.19Å; R1224-L1228 WeakPolarHBondContact O-CG 3.45Å; R1224-L1228 PolarHBondContact O-N 3.38Å; R1224-L1228 VanDerWaalsContact O-N 3.14Å |
| 1225 | L | 87.8 | Confident | 85.7 | Confident | 82 Ų | 82 | 79.1 Ų | 79.1 | 43% | 0.429 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 177.2 | -176.2 | 63.3 | 0 | 0 | 0 | 112.3 | G1221 K1222 K1223 L1228 Y1229 | G1221-L1225 PolarHBondContact O-N 2.8Å; G1221-L1225 VanDerWaalsContact O-N 3.13Å; K1222-L1225 PolarHBondContact O-N 3.37Å; K1223-L1225 PolarHBondContact O-N 3.46Å; L1225-L1228 PolarHBondContact O-N 2.81Å; L1225-Y1229 HydrophobicContact CD1-CD2 4.23Å; L1225-Y1229 HydrophobicContact CD1-CE2 3.72Å; L1225-Y1229 HydrophobicContact CD2-CE2 4.44Å; L1225-Y1229 HydrophobicContact CG-CD2 4.14Å; L1225-Y1229 HydrophobicContact CG-CE2 3.86Å; L1225-Y1229 VanDerWaalsContact O-CD2 3.25Å; L1225-Y1229 WeakPolarHBondContact O-CD2 3.43Å; L1225-Y1229 PolarHBondContact O-N 3.17Å |
| 1226 | L | 89.2 | Confident | 85.2 | Confident | 3 Ų | 3 | 81.4 Ų | 81.4 | 2% | 0.016 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 177.2 | 179.1 | 61.3 | 0 | 0 | 0 | 111 | V1197 L1200 V1201 W1212 L1215 L1218 K1222 K1223 L1228 Y1229 I1230 | V1197-L1226 HydrophobicContact CG1-CD1 4.44Å; L1200-L1226 HydrophobicContact CB-CD1 3.88Å; L1200-L1226 HydrophobicContact CB-CD2 4.3Å; L1200-L1226 HydrophobicContact CD1-CD2 4.45Å; V1201-L1226 HydrophobicContact CG2-CD1 3.59Å; W1212-L1226 HydrophobicContact CH2-CD2 4.35Å; W1212-L1226 HydrophobicContact CH2-CG 4.34Å; W1212-L1226 HydrophobicContact CZ3-CD2 4.15Å; L1215-L1226 HydrophobicContact CD1-CD2 3.46Å; L1215-L1226 VanDerWaalsContact CD1-CD2 3.46Å; L1218-L1226 HydrophobicContact CD2-CD2 4.36Å; K1222-L1226 WeakPolarHBondContact O-CB 3.07Å; K1222-L1226 PolarHBondContact O-N 2.94Å; K1223-L1226 PolarHBondContact O-N 2.83Å; L1226-L1228 PolarHBondContact O-N 3.36Å; L1226-Y1229 PolarHBondContact O-N 2.95Å; L1226-I1230 HydrophobicContact CD1-CD1 4.29Å; L1226-I1230 HydrophobicContact CD1-CG1 4.46Å; L1226-I1230 HydrophobicContact CG-CD1 3.91Å; L1226-I1230 WeakPolarHBondContact O-CG1 3.36Å; L1226-I1230 PolarHBondContact O-N 3.23Å |
| 1227 | K | 89.5 | Confident | 84.4 | Confident | 102 Ų | 102 | 78.5 Ų | 78.5 | 44% | 0.443 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56.3 | -48.3 | 175.3 | 178.4 | 153.1 | -176 | 150.4 | 0 | 111.9 | W1212 K1223 R1224 Y1229 I1230 D1231 | W1212-K1227 HydrophobicContact CH2-CB 3.91Å; W1212-K1227 HydrophobicContact CZ2-CB 4.16Å; K1223-K1227 PolarHBondContact O-N 3.38Å; R1224-K1227 PolarHBondContact O-N 3.19Å; K1227-Y1229 PolarHBondContact O-N 2.86Å; K1227-Y1229 VanDerWaalsContact O-N 3.14Å; K1227-I1230 PolarHBondContact O-N 3.43Å; K1227-D1231 WeakPolarHBondContact CE-OD1 3.41Å; K1227-D1231 WeakPolarHBondContact CG-OD1 3.3Å; K1227-D1231 WeakPolarHBondContact CG-OD2 3.32Å; K1227-D1231 PolarHBondContact O-N 3.22Å |
| 1228 | L | 89.4 | Confident | 83.5 | Confident | 114 Ų | 114 | 75.1 Ų | 75.1 | 60% | 0.597 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -58.6 | -28.3 | 176.6 | -69.7 | 170.2 | 0 | 0 | 0 | 113.9 | R1224 L1225 L1226 R1232 | R1224-L1228 WeakPolarHBondContact O-CG 3.45Å; R1224-L1228 PolarHBondContact O-N 3.38Å; R1224-L1228 VanDerWaalsContact O-N 3.14Å; L1225-L1228 PolarHBondContact O-N 2.81Å; L1226-L1228 PolarHBondContact O-N 3.36Å; L1228-R1232 VanDerWaalsContact O-CB 3.26Å; L1228-R1232 WeakPolarHBondContact O-CB 3.5Å; L1228-R1232 PolarHBondContact O-N 2.86Å |
| 1229 | Y | 90.5 | Very high | 82.4 | Confident | 80 Ų | 80 | 77.6 Ų | 77.6 | 31% | 0.314 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -80.8 | -32.7 | 172.8 | -78.4 | -70.9 | 0 | 0 | 0 | 113.3 | V1197 F1198 L1225 L1226 K1227 Q1233 | V1197-Y1229 HydrophobicContact CG1-CD2 3.73Å; V1197-Y1229 HydrophobicContact CG1-CE2 4.09Å; V1197-Y1229 HydrophobicContact CG1-CG 4.37Å; F1198-Y1229 HydrophobicContact CE1-CD1 4.46Å; F1198-Y1229 HydrophobicContact CZ-CD1 4.34Å; F1198-Y1229 HydrophobicContact CZ-CE1 4.06Å; L1225-Y1229 HydrophobicContact CD1-CD2 4.23Å; L1225-Y1229 HydrophobicContact CD1-CE2 3.72Å; L1225-Y1229 HydrophobicContact CD2-CE2 4.44Å; L1225-Y1229 HydrophobicContact CG-CD2 4.14Å; L1225-Y1229 HydrophobicContact CG-CE2 3.86Å; L1225-Y1229 VanDerWaalsContact O-CD2 3.25Å; L1225-Y1229 WeakPolarHBondContact O-CD2 3.43Å; L1225-Y1229 PolarHBondContact O-N 3.17Å; L1226-Y1229 PolarHBondContact O-N 2.95Å; K1227-Y1229 PolarHBondContact O-N 2.86Å; K1227-Y1229 VanDerWaalsContact O-N 3.14Å; Y1229-Q1233 PolarHBondContact O-N 3.45Å |
| 1230 | I | 89 | Confident | 81.1 | Confident | 10 Ų | 10 | 79 Ų | 79 | 5% | 0.051 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.6 | -53.4 | 173.2 | -65.3 | 164 | 0 | 0 | 0 | 109.6 | V1201 A1204 W1212 L1226 K1227 R1232 Q1233 Q1234 | V1201-I1230 HydrophobicContact CG1-CG1 4.3Å; V1201-I1230 HydrophobicContact CG2-CG1 4.26Å; A1204-I1230 HydrophobicContact CB-CD1 3.48Å; A1204-I1230 VanDerWaalsContact CB-CD1 3.48Å; A1204-I1230 HydrophobicContact CB-CG1 3.76Å; W1212-I1230 HydrophobicContact CH2-CD1 4.02Å; W1212-I1230 HydrophobicContact CZ2-CD1 3.91Å; L1226-I1230 HydrophobicContact CD1-CD1 4.29Å; L1226-I1230 HydrophobicContact CD1-CG1 4.46Å; L1226-I1230 HydrophobicContact CG-CD1 3.91Å; L1226-I1230 WeakPolarHBondContact O-CG1 3.36Å; L1226-I1230 PolarHBondContact O-N 3.23Å; K1227-I1230 PolarHBondContact O-N 3.43Å; I1230-R1232 PolarHBondContact O-N 3.45Å; I1230-R1232 VanDerWaalsContact O-N 3.15Å; I1230-Q1233 PolarHBondContact O-N 3.24Å; I1230-Q1234 HydrophobicContact CG2-CG 4.3Å; I1230-Q1234 WeakPolarHBondContact O-CG 3.28Å; I1230-Q1234 PolarHBondContact O-N 3.43Å |
| 1231 | D | 88.7 | Confident | 79.4 | Confident | 65 Ų | 65 | 81.2 Ų | 81.2 | 35% | 0.348 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -53.6 | -38 | 177.2 | -56.8 | -20 | 0 | 0 | 0 | 110.9 | K1227 S1235 | K1227-D1231 WeakPolarHBondContact CE-OD1 3.41Å; K1227-D1231 WeakPolarHBondContact CG-OD1 3.3Å; K1227-D1231 WeakPolarHBondContact CG-OD2 3.32Å; K1227-D1231 PolarHBondContact O-N 3.22Å; D1231-S1235 WeakPolarHBondContact O-CB 3.38Å; D1231-S1235 PolarHBondContact O-N 2.77Å; D1231-S1235 VanDerWaalsContact O-N 3.13Å; D1231-S1235 PolarHBondContact O-OG 3Å |
| 1232 | R | 89.2 | Confident | 77.9 | Confident | 172 Ų | 172 | 82.1 Ų | 82.1 | 65% | 0.649 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -71.4 | -35.2 | 176 | -175.6 | 172.7 | 179.2 | 163.3 | 3.5 | 114.1 | L1228 I1230 S1235 S1236 | L1228-R1232 VanDerWaalsContact O-CB 3.26Å; L1228-R1232 WeakPolarHBondContact O-CB 3.5Å; L1228-R1232 PolarHBondContact O-N 2.86Å; I1230-R1232 PolarHBondContact O-N 3.45Å; I1230-R1232 VanDerWaalsContact O-N 3.15Å; R1232-S1235 WeakPolarHBondContact CA-OG 2.94Å; R1232-S1235 PolarHBondContact O-OG 3.37Å; R1232-S1236 WeakPolarHBondContact O-CB 3.45Å; R1232-S1236 PolarHBondContact O-N 2.65Å; R1232-S1236 PolarHBondContact O-OG 3.11Å |
| 1233 | Q | 84.8 | Confident | 76.3 | Confident | 82 Ų | 82 | 84 Ų | 84 | 38% | 0.383 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -74.7 | -41.9 | 176 | -77.7 | -67.1 | 5.1 | 0 | 0 | 111.4 | V1201 M1205 Y1229 I1230 S1235 S1236 A1237 | V1201-Q1233 HydrophobicContact CG1-CB 4.18Å; V1201-Q1233 HydrophobicContact CG1-CG 3.67Å; M1205-Q1233 HydrophobicContact SD-CB 4.19Å; Y1229-Q1233 PolarHBondContact O-N 3.45Å; I1230-Q1233 PolarHBondContact O-N 3.24Å; Q1233-S1235 PolarHBondContact O-N 3.37Å; Q1233-S1236 WeakPolarHBondContact O-CB 3.47Å; Q1233-S1236 PolarHBondContact O-N 3.34Å; Q1233-A1237 PolarHBondContact O-N 3.07Å |
| 1234 | Q | 83.2 | Confident | 74.5 | Confident | 89 Ų | 89 | 85.8 Ų | 85.8 | 42% | 0.416 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 176.8 | -70 | 176.3 | -12.4 | 0 | 0 | 111.5 | M1205 I1230 S1236 A1237 T1238 | M1205-Q1234 HydrophobicContact CE-CG 4.08Å; M1205-Q1234 HydrophobicContact SD-CG 3.68Å; I1230-Q1234 HydrophobicContact CG2-CG 4.3Å; I1230-Q1234 WeakPolarHBondContact O-CG 3.28Å; I1230-Q1234 PolarHBondContact O-N 3.43Å; Q1234-S1236 VanDerWaalsContact C-N 3.26Å; Q1234-S1236 PolarHBondContact O-N 3.07Å; Q1234-A1237 PolarHBondContact O-N 2.73Å; Q1234-T1238 PolarHBondContact O-N 3.08Å; Q1234-T1238 PolarHBondContact O-OG1 3Å; Q1234-T1238 VanDerWaalsContact O-OG1 3.1Å |
| 1235 | S | 79.3 | Confident | 72.7 | Confident | 63 Ų | 63 | 82 Ų | 82 | 44% | 0.441 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.1 | -22.8 | 174.3 | 48.2 | 0 | 0 | 0 | 0 | 114.2 | D1231 R1232 Q1233 T1238 S1239 | D1231-S1235 WeakPolarHBondContact O-CB 3.38Å; D1231-S1235 PolarHBondContact O-N 2.77Å; D1231-S1235 VanDerWaalsContact O-N 3.13Å; D1231-S1235 PolarHBondContact O-OG 3Å; R1232-S1235 WeakPolarHBondContact CA-OG 2.94Å; R1232-S1235 PolarHBondContact O-OG 3.37Å; Q1233-S1235 PolarHBondContact O-N 3.37Å; S1235-T1238 WeakPolarHBondContact CA-OG1 3.08Å; S1235-T1238 PolarHBondContact O-OG1 3.12Å; S1235-S1239 PolarHBondContact O-N 2.78Å; S1235-S1239 PolarHBondContact O-OG 3.42Å |
| 1236 | S | 74 | Confident | 70.6 | Confident | 50 Ų | 50 | 88.7 Ų | 88.7 | 35% | 0.35 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -76.7 | -48.1 | 172.4 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | R1232 Q1233 Q1234 T1238 S1239 E1240 | R1232-S1236 WeakPolarHBondContact O-CB 3.45Å; R1232-S1236 PolarHBondContact O-N 2.65Å; R1232-S1236 PolarHBondContact O-OG 3.11Å; Q1233-S1236 WeakPolarHBondContact O-CB 3.47Å; Q1233-S1236 PolarHBondContact O-N 3.34Å; Q1234-S1236 VanDerWaalsContact C-N 3.26Å; Q1234-S1236 PolarHBondContact O-N 3.07Å; S1236-T1238 PolarHBondContact O-N 3.19Å; S1236-S1239 WeakPolarHBondContact O-CA 3.41Å; S1236-S1239 WeakPolarHBondContact O-CB 3.24Å; S1236-S1239 PolarHBondContact O-N 2.91Å; S1236-E1240 PolarHBondContact O-N 3.37Å |
| 1237 | A | 64.4 | Low | 68 | Low | 40 Ų | 40 | 95.7 Ų | 95.7 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1233 Q1234 S1239 E1240 D1241 | Q1233-A1237 PolarHBondContact O-N 3.07Å; Q1234-A1237 PolarHBondContact O-N 2.73Å; A1237-S1239 PolarHBondContact O-N 3.13Å; A1237-S1239 VanDerWaalsContact O-N 3.15Å; A1237-E1240 PolarHBondContact O-N 2.85Å; A1237-D1241 PolarHBondContact O-N 3.09Å |
| 1238 | T | 61.9 | Low | 66.9 | Low | 90 Ų | 90 | 95.4 Ų | 95.4 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -20.4 | 176.3 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | Q1234 S1235 S1236 S1242 | Q1234-T1238 PolarHBondContact O-N 3.08Å; Q1234-T1238 PolarHBondContact O-OG1 3Å; Q1234-T1238 VanDerWaalsContact O-OG1 3.1Å; S1235-T1238 WeakPolarHBondContact CA-OG1 3.08Å; S1235-T1238 PolarHBondContact O-OG1 3.12Å; S1236-T1238 PolarHBondContact O-N 3.19Å; T1238-S1242 PolarHBondContact O-OG 2.78Å |
| 1239 | S | 59.1 | Low | 65.7 | Low | 60 Ų | 60 | 94.4 Ų | 94.4 | 42% | 0.42 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -80.6 | -34.7 | 173.1 | -60.5 | 0 | 0 | 0 | 0 | 112 | S1235 S1236 A1237 S1242 I1243 | S1235-S1239 PolarHBondContact O-N 2.78Å; S1235-S1239 PolarHBondContact O-OG 3.42Å; S1236-S1239 WeakPolarHBondContact O-CA 3.41Å; S1236-S1239 WeakPolarHBondContact O-CB 3.24Å; S1236-S1239 PolarHBondContact O-N 2.91Å; A1237-S1239 PolarHBondContact O-N 3.13Å; A1237-S1239 VanDerWaalsContact O-N 3.15Å; S1239-S1242 PolarHBondContact O-OG 2.87Å; S1239-I1243 WeakPolarHBondContact O-CD1 3.49Å; S1239-I1243 VanDerWaalsContact O-CG1 3.26Å; S1239-I1243 WeakPolarHBondContact O-CG1 3.33Å; S1239-I1243 PolarHBondContact O-N 2.87Å |
| 1240 | E | 54.5 | Low | 64.4 | Low | 139 Ų | 139 | 95.2 Ų | 95.2 | 65% | 0.65 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -72.2 | -44.5 | 175.6 | -68.5 | -172.6 | 148.3 | 0 | 0 | 111.3 | S1236 A1237 S1242 I1243 T1244 | S1236-E1240 PolarHBondContact O-N 3.37Å; A1237-E1240 PolarHBondContact O-N 2.85Å; E1240-S1242 PolarHBondContact O-N 3.21Å; E1240-I1243 PolarHBondContact O-N 3.13Å; E1240-T1244 PolarHBondContact O-N 3.45Å; E1240-T1244 PolarHBondContact O-OG1 3.03Å; E1240-T1244 VanDerWaalsContact O-OG1 3.12Å |
| 1241 | D | 50.1 | Low | 62.9 | Low | 107 Ų | 107 | 100.2 Ų | 100.2 | 57% | 0.572 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.4 | -30.4 | 176.1 | -72.8 | -30.7 | 0 | 0 | 0 | 113.3 | A1237 T1244 T1245 | A1237-D1241 PolarHBondContact O-N 3.09Å; D1241-T1244 PolarHBondContact O-OG1 3.24Å; D1241-T1245 WeakPolarHBondContact O-CB 3.13Å; D1241-T1245 WeakPolarHBondContact O-CG2 3.49Å; D1241-T1245 PolarHBondContact O-N 3.46Å; D1241-T1245 PolarHBondContact O-OG1 3.2Å |
| 1242 | S | 51.6 | Low | 61.3 | Low | 63 Ų | 63 | 102.4 Ų | 102.4 | 44% | 0.441 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -88.2 | -0.8 | 176.8 | 55.3 | 0 | 0 | 0 | 0 | 114.3 | T1238 S1239 E1240 R1246 | T1238-S1242 PolarHBondContact O-OG 2.78Å; S1239-S1242 PolarHBondContact O-OG 2.87Å; E1240-S1242 PolarHBondContact O-N 3.21Å; S1242-R1246 WeakPolarHBondContact O-CD 3.25Å |
| 1243 | I | 51.4 | Low | 59.4 | Low | 105 Ų | 105 | 97.8 Ų | 97.8 | 54% | 0.538 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -104.9 | -38.9 | 170.9 | -69.7 | 168.7 | 0 | 0 | 0 | 110.7 | S1239 E1240 T1245 R1246 S1247 | S1239-I1243 WeakPolarHBondContact O-CD1 3.49Å; S1239-I1243 VanDerWaalsContact O-CG1 3.26Å; S1239-I1243 WeakPolarHBondContact O-CG1 3.33Å; S1239-I1243 PolarHBondContact O-N 2.87Å; E1240-I1243 PolarHBondContact O-N 3.13Å; I1243-T1245 VanDerWaalsContact C-N 3.28Å; I1243-T1245 PolarHBondContact O-N 2.79Å; I1243-R1246 CarbonylContact O-C 3.6Å; I1243-R1246 WeakPolarHBondContact O-CA 3.27Å; I1243-R1246 PolarHBondContact O-N 3.14Å; I1243-S1247 PolarHBondContact O-N 3.1Å; I1243-S1247 VanDerWaalsContact O-N 3.16Å; I1243-S1247 PolarHBondContact O-OG 3.45Å |
| 1244 | T | 48.7 | Very low | 57.6 | Low | 92 Ų | 92 | 98.9 Ų | 98.9 | 56% | 0.564 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.5 | -18.6 | 175.3 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | E1240 D1241 R1246 | E1240-T1244 PolarHBondContact O-N 3.45Å; E1240-T1244 PolarHBondContact O-OG1 3.03Å; E1240-T1244 VanDerWaalsContact O-OG1 3.12Å; D1241-T1244 PolarHBondContact O-OG1 3.24Å; T1244-R1246 VanDerWaalsContact C-N 3.32Å |
| 1245 | T | 50.9 | Low | 55.7 | Low | 115 Ų | 115 | 99.7 Ų | 99.7 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 7.5 | 166.5 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | D1241 I1243 | D1241-T1245 WeakPolarHBondContact O-CB 3.13Å; D1241-T1245 WeakPolarHBondContact O-CG2 3.49Å; D1241-T1245 PolarHBondContact O-N 3.46Å; D1241-T1245 PolarHBondContact O-OG1 3.2Å; I1243-T1245 VanDerWaalsContact C-N 3.28Å; I1243-T1245 PolarHBondContact O-N 2.79Å |
| 1246 | R | 43.5 | Very low | 53.7 | Low | 221 Ų | 221 | 102.8 Ų | 102.8 | 83% | 0.834 | 58% | 0.584 | S | S | * | * | trans | -129 | 10.9 | 177.7 | -82.3 | -174.5 | 161.3 | -173.6 | -4.5 | 113.7 | S1242 I1243 T1244 | S1242-R1246 WeakPolarHBondContact O-CD 3.25Å; I1243-R1246 CarbonylContact O-C 3.6Å; I1243-R1246 WeakPolarHBondContact O-CA 3.27Å; I1243-R1246 PolarHBondContact O-N 3.14Å; T1244-R1246 VanDerWaalsContact C-N 3.32Å | ||
| 1247 | S | 34.4 | Very low | 51.9 | Low | 151 Ų | 151 | 107.5 Ų | 107.5 | 100% | 1.056 | 61% | 0.606 | S | S | * | * | trans | -125.6 | 0 | 179.4 | -52.4 | 0 | 0 | 0 | 0 | 110.2 | I1243 | I1243-S1247 PolarHBondContact O-N 3.1Å; I1243-S1247 VanDerWaalsContact O-N 3.16Å; I1243-S1247 PolarHBondContact O-OG 3.45Å |
Retrieved 1,247 of 1,247 residues in 276.5 ms
(Link to these results)