| 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 | 51.9 | Low | 61.3 | Low | 138 Ų | 138 | 127 Ų | 127 | 68% | 0.68 | 59% | 0.587 | S | S | * | * | 0 | 102.6 | 0 | -72.3 | -61.7 | -166 | 0 | 0 | 111.4 | Q5 R6 | M1-Q5 HydrophobicContact SD-CB 4.06Å; M1-Q5 HydrophobicContact SD-CG 3.84Å; M1-Q5 PolarHBondContact SD-OE1 3.27Å; M1-R6 HydrophobicContact CB-CG 3.74Å; M1-R6 PolarHBondContact O-NE 3.44Å; M1-R6 PolarHBondContact O-NH2 3.13Å | |||
| 2 | P | 61.3 | Low | 62.6 | Low | 87 Ų | 87 | 121 Ų | 121 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | trans | -57.3 | 162 | 166.1 | -21.9 | 34.9 | 0 | 0 | 0 | 112.8 | M4 Q5 R6 | P2-M4 PolarHBondContact O-N 3.11Å; P2-Q5 VanDerWaalsContact CD-OE1 3.23Å; P2-Q5 PolarHBondContact O-N 2.99Å; P2-R6 PolarHBondContact O-N 3.25Å; P2-R6 VanDerWaalsContact O-N 3.08Å | ||
| 3 | F | 57.9 | Low | 64.2 | Low | 162 Ų | 162 | 119.5 Ų | 119.5 | 71% | 0.711 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -57.6 | -48.1 | -174.1 | 178.9 | -99.4 | 0 | 0 | 0 | 113.5 | Q5 R6 R7 | F3-Q5 VanDerWaalsContact C-N 3.33Å; F3-Q5 PolarHBondContact O-N 2.98Å; F3-R6 PolarHBondContact O-N 3.44Å; F3-R7 PolarHBondContact O-N 3.22Å |
| 4 | M | 55.9 | Low | 65.6 | Low | 155 Ų | 155 | 113.6 Ų | 113.6 | 76% | 0.764 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.5 | -45.4 | 176.6 | -74.5 | -179.1 | 170.7 | 0 | 0 | 111.9 | P2 R6 R7 V8 | P2-M4 PolarHBondContact O-N 3.11Å; M4-R6 VanDerWaalsContact C-N 3.31Å; M4-R6 PolarHBondContact O-N 3.49Å; M4-R7 WeakPolarHBondContact O-CB 2.78Å; M4-R7 PolarHBondContact O-N 3.27Å; M4-V8 WeakPolarHBondContact O-CG2 3.32Å; M4-V8 PolarHBondContact O-N 3.35Å |
| 5 | Q | 57.2 | Low | 67 | Low | 109 Ų | 109 | 113.9 Ų | 113.9 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.1 | -34.3 | -178.7 | -143.7 | 171.5 | 19.7 | 0 | 0 | 112 | M1 P2 F3 Y9 | M1-Q5 HydrophobicContact SD-CB 4.06Å; M1-Q5 HydrophobicContact SD-CG 3.84Å; M1-Q5 PolarHBondContact SD-OE1 3.27Å; P2-Q5 VanDerWaalsContact CD-OE1 3.23Å; P2-Q5 PolarHBondContact O-N 2.99Å; F3-Q5 VanDerWaalsContact C-N 3.33Å; F3-Q5 PolarHBondContact O-N 2.98Å; Q5-Y9 VanDerWaalsContact O-CB 3.28Å; Q5-Y9 WeakPolarHBondContact O-CB 3.32Å; Q5-Y9 PolarHBondContact O-N 3.46Å; Q5-Y9 VanDerWaalsContact O-N 3.09Å |
| 6 | R | 60.1 | Low | 68.4 | Low | 157 Ų | 157 | 113.4 Ų | 113.4 | 59% | 0.592 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.5 | -38.7 | 170.2 | -63.1 | -174.5 | -146.5 | -176.4 | 6.6 | 112.6 | M1 P2 F3 M4 K10 | M1-R6 HydrophobicContact CB-CG 3.74Å; M1-R6 PolarHBondContact O-NE 3.44Å; M1-R6 PolarHBondContact O-NH2 3.13Å; P2-R6 PolarHBondContact O-N 3.25Å; P2-R6 VanDerWaalsContact O-N 3.08Å; F3-R6 PolarHBondContact O-N 3.44Å; M4-R6 VanDerWaalsContact C-N 3.31Å; M4-R6 PolarHBondContact O-N 3.49Å; R6-K10 WeakPolarHBondContact O-CG 3.48Å; R6-K10 PolarHBondContact O-N 2.91Å |
| 7 | R | 61.5 | Low | 69.6 | Low | 168 Ų | 168 | 106.9 Ų | 106.9 | 63% | 0.634 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.8 | -45.1 | -179.9 | -168 | 177.2 | -177 | -177.7 | 0.7 | 111.3 | F3 M4 K10 M11 | F3-R7 PolarHBondContact O-N 3.22Å; M4-R7 WeakPolarHBondContact O-CB 2.78Å; M4-R7 PolarHBondContact O-N 3.27Å; R7-K10 PolarHBondContact O-N 3.1Å; R7-M11 WeakPolarHBondContact O-CG 3.36Å; R7-M11 PolarHBondContact O-N 3.28Å; R7-M11 VanDerWaalsContact O-N 3.16Å |
| 8 | V | 65.2 | Low | 70.9 | Confident | 104 Ų | 104 | 104.6 Ų | 104.6 | 63% | 0.63 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.5 | -48.3 | 175 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | M4 K10 M11 D12 | M4-V8 WeakPolarHBondContact O-CG2 3.32Å; M4-V8 PolarHBondContact O-N 3.35Å; V8-K10 VanDerWaalsContact C-N 3.3Å; V8-K10 PolarHBondContact O-N 3.49Å; V8-M11 PolarHBondContact O-N 3.38Å; V8-M11 VanDerWaalsContact O-N 3.1Å; V8-D12 PolarHBondContact O-N 3.5Å |
| 9 | Y | 65.5 | Low | 72 | Confident | 119 Ų | 119 | 105.3 Ų | 105.3 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -30.7 | 179.6 | -174.8 | -109 | 0 | 0 | 0 | 113.9 | Q5 K13 | Q5-Y9 VanDerWaalsContact O-CB 3.28Å; Q5-Y9 WeakPolarHBondContact O-CB 3.32Å; Q5-Y9 PolarHBondContact O-N 3.46Å; Q5-Y9 VanDerWaalsContact O-N 3.09Å; Y9-K13 HydrophobicContact CE1-CD 4.07Å; Y9-K13 VanDerWaalsContact CE1-CE 3.45Å; Y9-K13 WeakPolarHBondContact O-CG 3.2Å; Y9-K13 PolarHBondContact O-N 3.06Å; Y9-K13 WeakPolarHBondContact OH-CE 3.32Å; Y9-K13 PolarHBondContact OH-NZ 2.73Å |
| 10 | K | 66 | Low | 73 | Confident | 112 Ų | 112 | 105.1 Ų | 105.1 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 170.4 | -83.3 | -167.9 | 168.2 | -155.4 | 0 | 112.2 | R6 R7 V8 K13 M14 | R6-K10 WeakPolarHBondContact O-CG 3.48Å; R6-K10 PolarHBondContact O-N 2.91Å; R7-K10 PolarHBondContact O-N 3.1Å; V8-K10 VanDerWaalsContact C-N 3.3Å; V8-K10 PolarHBondContact O-N 3.49Å; K10-K13 PolarHBondContact O-N 2.95Å; K10-M14 WeakPolarHBondContact O-CG 3.49Å; K10-M14 PolarHBondContact O-N 3.03Å |
| 11 | M | 71.3 | Confident | 74 | Confident | 86 Ų | 86 | 100.9 Ų | 100.9 | 42% | 0.424 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | -179.5 | -68.8 | -66.5 | 163.5 | 0 | 0 | 111.9 | R7 V8 K13 M14 Q15 | R7-M11 WeakPolarHBondContact O-CG 3.36Å; R7-M11 PolarHBondContact O-N 3.28Å; R7-M11 VanDerWaalsContact O-N 3.16Å; V8-M11 PolarHBondContact O-N 3.38Å; V8-M11 VanDerWaalsContact O-N 3.1Å; M11-K13 VanDerWaalsContact C-N 3.31Å; M11-K13 PolarHBondContact O-N 3.27Å; M11-M14 HydrophobicContact CE-CE 4.5Å; M11-M14 HydrophobicContact CE-SD 4.43Å; M11-M14 WeakPolarHBondContact O-CB 3.47Å; M11-M14 PolarHBondContact O-N 3.04Å; M11-M14 VanDerWaalsContact O-N 3.12Å; M11-M14 HydrophobicContact SD-CE 3.92Å; M11-M14 HydrophobicContact SD-SD 4.02Å; M11-Q15 WeakPolarHBondContact O-CG 3.42Å; M11-Q15 PolarHBondContact O-N 3.31Å |
| 12 | D | 77.4 | Confident | 75.9 | Confident | 55 Ų | 55 | 102.2 Ų | 102.2 | 29% | 0.294 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56.9 | -42.5 | 173.3 | 175.1 | 56.3 | 0 | 0 | 0 | 112 | V8 Q15 K16 | V8-D12 PolarHBondContact O-N 3.5Å; D12-Q15 PolarHBondContact O-N 3.05Å; D12-K16 WeakPolarHBondContact O-CB 3.45Å; D12-K16 WeakPolarHBondContact O-CG 3.47Å; D12-K16 PolarHBondContact O-N 3.18Å; D12-K16 WeakPolarHBondContact OD1-CE 3.41Å; D12-K16 IonicContact OD1-NZ 3.55Å; D12-K16 PolarHBondContact OD1-NZ 3.2Å; D12-K16 IonicContact OD2-NZ 3.9Å; D12-K16 PolarHBondContact OD2-NZ 3.46Å |
| 13 | K | 82.9 | Confident | 77.4 | Confident | 101 Ų | 101 | 102 Ų | 102 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 174.4 | -80.1 | -171.4 | 171.7 | -178.1 | 0 | 113.9 | Y9 K10 M11 A17 | Y9-K13 HydrophobicContact CE1-CD 4.07Å; Y9-K13 VanDerWaalsContact CE1-CE 3.45Å; Y9-K13 WeakPolarHBondContact O-CG 3.2Å; Y9-K13 PolarHBondContact O-N 3.06Å; Y9-K13 WeakPolarHBondContact OH-CE 3.32Å; Y9-K13 PolarHBondContact OH-NZ 2.73Å; K10-K13 PolarHBondContact O-N 2.95Å; M11-K13 VanDerWaalsContact C-N 3.31Å; M11-K13 PolarHBondContact O-N 3.27Å; K13-A17 WeakPolarHBondContact O-CB 3.38Å; K13-A17 PolarHBondContact O-N 3.37Å; K13-A17 VanDerWaalsContact O-N 3.09Å |
| 14 | M | 83.8 | Confident | 79 | Confident | 37 Ų | 37 | 97.2 Ų | 97.2 | 18% | 0.182 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67 | -46.3 | 175.9 | -72.8 | 164.8 | 46.1 | 0 | 0 | 111.1 | K10 M11 K16 A17 E18 | K10-M14 WeakPolarHBondContact O-CG 3.49Å; K10-M14 PolarHBondContact O-N 3.03Å; M11-M14 HydrophobicContact CE-CE 4.5Å; M11-M14 HydrophobicContact CE-SD 4.43Å; M11-M14 WeakPolarHBondContact O-CB 3.47Å; M11-M14 PolarHBondContact O-N 3.04Å; M11-M14 VanDerWaalsContact O-N 3.12Å; M11-M14 HydrophobicContact SD-CE 3.92Å; M11-M14 HydrophobicContact SD-SD 4.02Å; M14-K16 PolarHBondContact O-N 2.71Å; M14-A17 WeakPolarHBondContact O-CB 3.48Å; M14-A17 PolarHBondContact O-N 3.13Å; M14-A17 VanDerWaalsContact O-N 3.13Å; M14-E18 PolarHBondContact O-N 3.07Å |
| 15 | Q | 87.1 | Confident | 80.8 | Confident | 118 Ų | 118 | 92.5 Ų | 92.5 | 55% | 0.551 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.7 | -47.2 | 178.7 | -72.8 | 172.6 | -34 | 0 | 0 | 111.3 | M11 D12 A17 E18 E19 | M11-Q15 WeakPolarHBondContact O-CG 3.42Å; M11-Q15 PolarHBondContact O-N 3.31Å; D12-Q15 PolarHBondContact O-N 3.05Å; Q15-A17 VanDerWaalsContact C-N 3.3Å; Q15-A17 PolarHBondContact O-N 2.97Å; Q15-E18 PolarHBondContact O-N 2.83Å; Q15-E18 VanDerWaalsContact O-N 3.11Å; Q15-E19 WeakPolarHBondContact O-CG 3.4Å; Q15-E19 PolarHBondContact O-N 3.16Å |
| 16 | K | 89.7 | Confident | 82.5 | Confident | 106 Ų | 106 | 90.3 Ų | 90.3 | 46% | 0.461 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.9 | -34.7 | 174.3 | -74 | 167 | 177 | 160.2 | 0 | 113.5 | D12 M14 R20 | D12-K16 WeakPolarHBondContact O-CB 3.45Å; D12-K16 WeakPolarHBondContact O-CG 3.47Å; D12-K16 PolarHBondContact O-N 3.18Å; D12-K16 WeakPolarHBondContact OD1-CE 3.41Å; D12-K16 IonicContact OD1-NZ 3.55Å; D12-K16 PolarHBondContact OD1-NZ 3.2Å; D12-K16 IonicContact OD2-NZ 3.9Å; D12-K16 PolarHBondContact OD2-NZ 3.46Å; M14-K16 PolarHBondContact O-N 2.71Å; K16-R20 WeakPolarHBondContact O-CB 3.3Å; K16-R20 WeakPolarHBondContact O-CG 3.45Å; K16-R20 PolarHBondContact O-N 3.45Å |
| 17 | A | 89.4 | Confident | 84 | Confident | 4 Ų | 4 | 83.9 Ų | 83.9 | 3% | 0.033 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.4 | -40.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K13 M14 Q15 R20 I21 A30 V33 L34 | K13-A17 WeakPolarHBondContact O-CB 3.38Å; K13-A17 PolarHBondContact O-N 3.37Å; K13-A17 VanDerWaalsContact O-N 3.09Å; M14-A17 WeakPolarHBondContact O-CB 3.48Å; M14-A17 PolarHBondContact O-N 3.13Å; M14-A17 VanDerWaalsContact O-N 3.13Å; Q15-A17 VanDerWaalsContact C-N 3.3Å; Q15-A17 PolarHBondContact O-N 2.97Å; A17-R20 PolarHBondContact O-N 2.87Å; A17-I21 WeakPolarHBondContact O-CD1 3.07Å; A17-I21 VanDerWaalsContact O-CG1 3.3Å; A17-I21 WeakPolarHBondContact O-CG1 3.42Å; A17-I21 PolarHBondContact O-N 3.33Å; A17-A30 HydrophobicContact CB-CB 4.27Å; A17-V33 HydrophobicContact CB-CB 4.1Å; A17-V33 HydrophobicContact CB-CG1 4.15Å; A17-L34 HydrophobicContact CB-CD2 4.41Å |
| 18 | E | 91.5 | Very high | 85.4 | Confident | 65 Ų | 65 | 78.7 Ų | 78.7 | 30% | 0.304 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.2 | -34.3 | 175.2 | -66.4 | -153.2 | 128.9 | 0 | 0 | 113 | M14 Q15 I21 K22 L34 R52 | M14-E18 PolarHBondContact O-N 3.07Å; Q15-E18 PolarHBondContact O-N 2.83Å; Q15-E18 VanDerWaalsContact O-N 3.11Å; E18-I21 PolarHBondContact O-N 3.22Å; E18-K22 VanDerWaalsContact O-CG 3.3Å; E18-K22 WeakPolarHBondContact O-CG 3.44Å; E18-K22 PolarHBondContact O-N 2.98Å; E18-L34 HydrophobicContact CG-CD1 4.44Å; E18-L34 HydrophobicContact CG-CD2 4.27Å; E18-R52 IonicContact OE1-CZ 3.33Å; E18-R52 IonicContact OE1-NH1 3.52Å; E18-R52 PolarHBondContact OE1-NH1 3.02Å; E18-R52 IonicContact OE1-NH2 2.65Å; E18-R52 PolarHBondContact OE1-NH2 3.38Å |
| 19 | E | 92.2 | Very high | 86.7 | Confident | 118 Ų | 118 | 79.5 Ų | 79.5 | 55% | 0.551 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.8 | -43 | 171.8 | -72.4 | 167.2 | 179.6 | 0 | 0 | 112 | Q15 I21 K22 S23 | Q15-E19 WeakPolarHBondContact O-CG 3.4Å; Q15-E19 PolarHBondContact O-N 3.16Å; E19-I21 VanDerWaalsContact C-N 3.34Å; E19-I21 PolarHBondContact O-N 2.87Å; E19-K22 PolarHBondContact O-N 3.24Å; E19-S23 PolarHBondContact O-N 2.94Å; E19-S23 VanDerWaalsContact O-N 3.16Å; E19-S23 PolarHBondContact O-OG 2.95Å; E19-S23 VanDerWaalsContact O-OG 3.13Å |
| 20 | R | 93 | Very high | 88 | Confident | 101 Ų | 101 | 73.9 Ų | 73.9 | 38% | 0.381 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 171.7 | -78 | 177.4 | 63.4 | 166 | -0.8 | 112.2 | K16 A17 S23 N24 D27 E29 A30 | K16-R20 WeakPolarHBondContact O-CB 3.3Å; K16-R20 WeakPolarHBondContact O-CG 3.45Å; K16-R20 PolarHBondContact O-N 3.45Å; A17-R20 PolarHBondContact O-N 2.87Å; R20-S23 PolarHBondContact O-N 3.47Å; R20-S23 PolarHBondContact O-OG 3.41Å; R20-S23 VanDerWaalsContact O-OG 3.05Å; R20-N24 PolarHBondContact O-N 2.81Å; R20-D27 IonicContact CZ-OD1 3.88Å; R20-D27 IonicContact CZ-OD2 3.09Å; R20-D27 IonicContact NE-OD1 3.21Å; R20-D27 IonicContact NE-OD2 3.51Å; R20-D27 PolarHBondContact NE-OD2 3.04Å; R20-D27 IonicContact NH2-OD1 3.38Å; R20-D27 PolarHBondContact NH2-OD1 2.97Å; R20-D27 IonicContact NH2-OD2 2.95Å; R20-D27 PolarHBondContact NH2-OD2 3.41Å; R20-E29 IonicContact CZ-OE2 2.69Å; R20-E29 IonicContact NH1-OE2 3.32Å; R20-E29 PolarHBondContact NH1-OE2 3.25Å; R20-E29 VanDerWaalsContact NH1-OE2 3.1Å; R20-E29 IonicContact NH2-OE2 3.72Å; R20-E29 PolarHBondContact NH2-OE2 2.87Å; R20-A30 HydrophobicContact CB-CB 3.8Å |
| 21 | I | 93.6 | Very high | 89.4 | Confident | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.082 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.1 | -32.2 | 177.1 | -69.3 | 161.7 | 0 | 0 | 0 | 112.1 | A17 E18 E19 N24 P25 A30 W31 L34 | A17-I21 WeakPolarHBondContact O-CD1 3.07Å; A17-I21 VanDerWaalsContact O-CG1 3.3Å; A17-I21 WeakPolarHBondContact O-CG1 3.42Å; A17-I21 PolarHBondContact O-N 3.33Å; E18-I21 PolarHBondContact O-N 3.22Å; E19-I21 VanDerWaalsContact C-N 3.34Å; E19-I21 PolarHBondContact O-N 2.87Å; I21-N24 WeakPolarHBondContact CA-O 3.49Å; I21-N24 CarbonylContact O-C 3.23Å; I21-N24 VanDerWaalsContact O-C 3.23Å; I21-P25 WeakPolarHBondContact O-CA 3.48Å; I21-P25 VanDerWaalsContact O-N 3.15Å; I21-A30 HydrophobicContact CD1-CB 4.09Å; I21-A30 HydrophobicContact CG1-CB 3.72Å; I21-W31 HydrophobicContact CD1-CD2 3.68Å; I21-W31 HydrophobicContact CD1-CE3 3.93Å; I21-W31 HydrophobicContact CD1-CG 4.04Å; I21-W31 HydrophobicContact CD1-CZ2 4.36Å; I21-W31 HydrophobicContact CD1-CZ3 4.4Å; I21-W31 HydrophobicContact CG1-CD2 4.21Å; I21-W31 HydrophobicContact CG1-CG 4.34Å; I21-W31 HydrophobicContact CG2-CH2 4.31Å; I21-W31 HydrophobicContact CG2-CZ2 3.64Å; I21-L34 HydrophobicContact CD1-CD1 3.42Å; I21-L34 VanDerWaalsContact CD1-CD1 3.42Å; I21-L34 HydrophobicContact CD1-CG 4.17Å |
| 22 | K | 92.5 | Very high | 90.4 | Very high | 167 Ų | 167 | 66.6 Ų | 66.6 | 73% | 0.726 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -68.4 | -36.9 | 175.3 | -74.9 | 168.8 | -173.9 | 174.1 | 0 | 112.8 | E18 E19 | E18-K22 VanDerWaalsContact O-CG 3.3Å; E18-K22 WeakPolarHBondContact O-CG 3.44Å; E18-K22 PolarHBondContact O-N 2.98Å; E19-K22 PolarHBondContact O-N 3.24Å |
| 23 | S | 92.3 | Very high | 91.2 | Very high | 83 Ų | 83 | 66.1 Ų | 66.1 | 58% | 0.58 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -80.8 | -37.7 | 176.3 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | E19 R20 | E19-S23 PolarHBondContact O-N 2.94Å; E19-S23 VanDerWaalsContact O-N 3.16Å; E19-S23 PolarHBondContact O-OG 2.95Å; E19-S23 VanDerWaalsContact O-OG 3.13Å; R20-S23 PolarHBondContact O-N 3.47Å; R20-S23 PolarHBondContact O-OG 3.41Å; R20-S23 VanDerWaalsContact O-OG 3.05Å |
| 24 | N | 91.5 | Very high | 91.6 | Very high | 60 Ų | 60 | 61.7 Ų | 61.7 | 32% | 0.321 | 30% | 0.303 | S | S | . | . | trans | -134.4 | 100 | 173.2 | -178.4 | 5.8 | 0 | 0 | 0 | 111.3 | R20 I21 W26 D27 | R20-N24 PolarHBondContact O-N 2.81Å; I21-N24 WeakPolarHBondContact CA-O 3.49Å; I21-N24 CarbonylContact O-C 3.23Å; I21-N24 VanDerWaalsContact O-C 3.23Å; N24-W26 PolarHBondContact O-N 3.27Å; N24-W26 PolarHBondContact OD1-N 3.48Å; N24-D27 HydrophobicContact CB-CB 4.31Å; N24-D27 WeakPolarHBondContact O-CB 3.43Å; N24-D27 PolarHBondContact O-N 3.46Å; N24-D27 VanDerWaalsContact O-N 3.11Å | ||
| 25 | P | 93.2 | Very high | 92.1 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 37% | 0.37 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -18.1 | 176.8 | -28.2 | 36.6 | 0 | 0 | 0 | 115 | I21 W31 | I21-P25 WeakPolarHBondContact O-CA 3.48Å; I21-P25 VanDerWaalsContact O-N 3.15Å; P25-W31 PolarHBondContact O-NE1 3.22Å |
| 26 | W | 92.1 | Very high | 92.3 | Very high | 62 Ų | 62 | 62.3 Ų | 62.3 | 24% | 0.235 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 13.1 | -177.4 | -55.8 | 104.5 | 0 | 0 | 0 | 113.7 | N24 I28 Q56 F57 V233 P234 H285 | N24-W26 PolarHBondContact O-N 3.27Å; N24-W26 PolarHBondContact OD1-N 3.48Å; W26-I28 PolarHBondContact O-N 2.78Å; W26-Q56 HydrophobicContact CE3-CG 4.47Å; W26-Q56 VanDerWaalsContact CE3-NE2 3.31Å; W26-Q56 VanDerWaalsContact CZ2-NE2 3.31Å; W26-Q56 HydrophobicContact CZ3-CG 4.31Å; W26-Q56 WeakPolarHBondContact CZ3-O 3.35Å; W26-F57 HydrophobicContact CE3-CD1 4.44Å; W26-F57 AromaticContact CE3-CE1 3.85Å; W26-F57 HydrophobicContact CE3-CE1 3.85Å; W26-F57 HydrophobicContact CE3-CZ 4.38Å; W26-F57 HydrophobicContact CZ3-CD1 4.3Å; W26-F57 HydrophobicContact CZ3-CE1 4.16Å; W26-V233 HydrophobicContact CB-CB 4.42Å; W26-V233 HydrophobicContact CB-CG1 4.12Å; W26-V233 HydrophobicContact CE3-CG1 4.15Å; W26-P234 HydrophobicContact CD2-CG 3.93Å; W26-P234 VanDerWaalsContact CE2-CD 3.46Å; W26-P234 HydrophobicContact CG-CG 4.18Å; W26-P234 HydrophobicContact CZ2-CG 3.9Å; W26-H285 AromaticContact CH2-CE1 3.61Å; W26-H285 AromaticContact CH2-NE2 3.14Å; W26-H285 WeakPolarHBondContact CH2-NE2 3.44Å; W26-H285 AromaticContact CZ2-NE2 3.8Å; W26-H285 AromaticContact CZ3-CE1 3.62Å; W26-H285 AromaticContact CZ3-NE2 3.66Å |
| 27 | D | 92.4 | Very high | 92.4 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 12% | 0.118 | 28% | 0.284 | C | S | . | . | trans | -70.4 | 90.8 | 177.2 | -171.9 | -26.1 | 0 | 0 | 0 | 112.2 | R20 N24 E29 A30 W31 | R20-D27 IonicContact CZ-OD1 3.88Å; R20-D27 IonicContact CZ-OD2 3.09Å; R20-D27 IonicContact NE-OD1 3.21Å; R20-D27 IonicContact NE-OD2 3.51Å; R20-D27 PolarHBondContact NE-OD2 3.04Å; R20-D27 IonicContact NH2-OD1 3.38Å; R20-D27 PolarHBondContact NH2-OD1 2.97Å; R20-D27 IonicContact NH2-OD2 2.95Å; R20-D27 PolarHBondContact NH2-OD2 3.41Å; N24-D27 HydrophobicContact CB-CB 4.31Å; N24-D27 WeakPolarHBondContact O-CB 3.43Å; N24-D27 PolarHBondContact O-N 3.46Å; N24-D27 VanDerWaalsContact O-N 3.11Å; D27-E29 PolarHBondContact O-N 3.45Å; D27-E29 WeakPolarHBondContact OD1-CB 3.37Å; D27-E29 PolarHBondContact OD1-N 3.41Å; D27-E29 VanDerWaalsContact OD1-N 3.11Å; D27-A30 HydrophobicContact CB-CB 3.98Å; D27-A30 PolarHBondContact O-N 3.06Å; D27-A30 PolarHBondContact OD1-N 2.64Å; D27-W31 PolarHBondContact O-N 3.43Å | ||
| 28 | I | 91.3 | Very high | 92.6 | Very high | 59 Ų | 59 | 58.2 Ų | 58.2 | 30% | 0.303 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.3 | -35.8 | -178.9 | -56.3 | 174.2 | 0 | 0 | 0 | 111.8 | W26 S32 P231 V233 | W26-I28 PolarHBondContact O-N 2.78Å; I28-S32 WeakPolarHBondContact O-CB 3.45Å; I28-S32 PolarHBondContact O-N 2.99Å; I28-P231 HydrophobicContact CD1-CB 4.41Å; I28-P231 HydrophobicContact CD1-CG 4.35Å; I28-P231 HydrophobicContact CG2-CG 4.05Å; I28-V233 HydrophobicContact CD1-CG1 3.85Å; I28-V233 HydrophobicContact CG1-CG1 3.95Å |
| 29 | E | 91.9 | Very high | 92.6 | Very high | 122 Ų | 122 | 58.9 Ų | 58.9 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -67.6 | -45.4 | 179.5 | -60.6 | -170.8 | 148 | 0 | 0 | 111.2 | R20 D27 S32 V33 | R20-E29 IonicContact CZ-OE2 2.69Å; R20-E29 IonicContact NH1-OE2 3.32Å; R20-E29 PolarHBondContact NH1-OE2 3.25Å; R20-E29 VanDerWaalsContact NH1-OE2 3.1Å; R20-E29 IonicContact NH2-OE2 3.72Å; R20-E29 PolarHBondContact NH2-OE2 2.87Å; D27-E29 PolarHBondContact O-N 3.45Å; D27-E29 WeakPolarHBondContact OD1-CB 3.37Å; D27-E29 PolarHBondContact OD1-N 3.41Å; D27-E29 VanDerWaalsContact OD1-N 3.11Å; E29-S32 WeakPolarHBondContact O-CB 3.06Å; E29-S32 PolarHBondContact O-N 2.85Å; E29-S32 VanDerWaalsContact O-N 3.11Å; E29-S32 PolarHBondContact O-OG 3Å; E29-V33 PolarHBondContact O-N 3.45Å |
| 30 | A | 93.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A17 R20 I21 D27 S32 V33 L34 | A17-A30 HydrophobicContact CB-CB 4.27Å; R20-A30 HydrophobicContact CB-CB 3.8Å; I21-A30 HydrophobicContact CD1-CB 4.09Å; I21-A30 HydrophobicContact CG1-CB 3.72Å; D27-A30 HydrophobicContact CB-CB 3.98Å; D27-A30 PolarHBondContact O-N 3.06Å; D27-A30 PolarHBondContact OD1-N 2.64Å; A30-S32 VanDerWaalsContact C-N 3.29Å; A30-S32 PolarHBondContact O-N 3.48Å; A30-V33 WeakPolarHBondContact O-CB 3.44Å; A30-V33 PolarHBondContact O-N 2.88Å; A30-V33 VanDerWaalsContact O-N 3.09Å; A30-L34 PolarHBondContact O-N 2.74Å |
| 31 | W | 95.2 | Very high | 92.4 | Very high | 10 Ų | 10 | 55.4 Ų | 55.4 | 4% | 0.038 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.2 | -35 | 171.8 | -73.5 | 112.5 | 0 | 0 | 0 | 112.9 | I21 P25 D27 V33 L34 L35 R52 I53 Q56 F57 | I21-W31 HydrophobicContact CD1-CD2 3.68Å; I21-W31 HydrophobicContact CD1-CE3 3.93Å; I21-W31 HydrophobicContact CD1-CG 4.04Å; I21-W31 HydrophobicContact CD1-CZ2 4.36Å; I21-W31 HydrophobicContact CD1-CZ3 4.4Å; I21-W31 HydrophobicContact CG1-CD2 4.21Å; I21-W31 HydrophobicContact CG1-CG 4.34Å; I21-W31 HydrophobicContact CG2-CH2 4.31Å; I21-W31 HydrophobicContact CG2-CZ2 3.64Å; P25-W31 PolarHBondContact O-NE1 3.22Å; D27-W31 PolarHBondContact O-N 3.43Å; W31-V33 PolarHBondContact O-N 2.95Å; W31-L34 HydrophobicContact CE3-CD1 4.03Å; W31-L34 HydrophobicContact CZ3-CD1 4.17Å; W31-L34 PolarHBondContact O-N 2.68Å; W31-L35 WeakPolarHBondContact O-CB 3.5Å; W31-L35 PolarHBondContact O-N 3.13Å; W31-R52 HydrophobicContact CH2-CB 4.2Å; W31-R52 HydrophobicContact CZ3-CB 4.13Å; W31-I53 HydrophobicContact CE3-CD1 4.46Å; W31-I53 HydrophobicContact CE3-CG1 3.53Å; W31-I53 HydrophobicContact CZ3-CG1 3.71Å; W31-Q56 HydrophobicContact CH2-CB 4.32Å; W31-Q56 HydrophobicContact CZ2-CB 3.93Å; W31-Q56 HydrophobicContact CZ2-CG 3.8Å; W31-F57 HydrophobicContact CB-CE2 4.2Å; W31-F57 AromaticContact CD1-CE2 3.46Å; W31-F57 VanDerWaalsContact CD1-CE2 3.46Å; W31-F57 AromaticContact CD1-CZ 3.64Å; W31-F57 HydrophobicContact CD2-CE2 4.04Å; W31-F57 AromaticContact CG-CE2 3.67Å; W31-F57 HydrophobicContact CG-CE2 3.67Å; W31-F57 HydrophobicContact CG-CZ 4.24Å; W31-F57 AromaticContact NE1-CE2 3.69Å; W31-F57 AromaticContact NE1-CZ 3.95Å |
| 32 | S | 92.8 | Very high | 92.2 | Very high | 34 Ų | 34 | 62.4 Ų | 62.4 | 24% | 0.238 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.2 | -26.8 | 174.7 | 88.7 | 0 | 0 | 0 | 0 | 113.5 | I28 E29 A30 R36 | I28-S32 WeakPolarHBondContact O-CB 3.45Å; I28-S32 PolarHBondContact O-N 2.99Å; E29-S32 WeakPolarHBondContact O-CB 3.06Å; E29-S32 PolarHBondContact O-N 2.85Å; E29-S32 VanDerWaalsContact O-N 3.11Å; E29-S32 PolarHBondContact O-OG 3Å; A30-S32 VanDerWaalsContact C-N 3.29Å; A30-S32 PolarHBondContact O-N 3.48Å; S32-R36 WeakPolarHBondContact O-CB 3.23Å; S32-R36 WeakPolarHBondContact O-CG 3.42Å; S32-R36 PolarHBondContact O-N 2.88Å; S32-R36 PolarHBondContact O-NE 3.2Å; S32-R36 PolarHBondContact OG-NH2 3.37Å |
| 33 | V | 92.6 | Very high | 92.2 | Very high | 45 Ų | 45 | 55.2 Ų | 55.2 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -73.6 | -47.2 | 175.2 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | A17 E29 A30 W31 L35 R36 D37 | A17-V33 HydrophobicContact CB-CB 4.1Å; A17-V33 HydrophobicContact CB-CG1 4.15Å; E29-V33 PolarHBondContact O-N 3.45Å; A30-V33 WeakPolarHBondContact O-CB 3.44Å; A30-V33 PolarHBondContact O-N 2.88Å; A30-V33 VanDerWaalsContact O-N 3.09Å; W31-V33 PolarHBondContact O-N 2.95Å; V33-L35 PolarHBondContact O-N 3.44Å; V33-R36 PolarHBondContact O-N 3.03Å; V33-D37 PolarHBondContact O-N 2.93Å; V33-D37 VanDerWaalsContact O-N 3.1Å |
| 34 | L | 92.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 175.8 | -63.7 | -172.8 | 0 | 0 | 0 | 112.1 | A17 E18 I21 A30 W31 R36 D37 A38 V49 | A17-L34 HydrophobicContact CB-CD2 4.41Å; E18-L34 HydrophobicContact CG-CD1 4.44Å; E18-L34 HydrophobicContact CG-CD2 4.27Å; I21-L34 HydrophobicContact CD1-CD1 3.42Å; I21-L34 VanDerWaalsContact CD1-CD1 3.42Å; I21-L34 HydrophobicContact CD1-CG 4.17Å; A30-L34 PolarHBondContact O-N 2.74Å; W31-L34 HydrophobicContact CE3-CD1 4.03Å; W31-L34 HydrophobicContact CZ3-CD1 4.17Å; W31-L34 PolarHBondContact O-N 2.68Å; L34-R36 PolarHBondContact O-N 3.32Å; L34-D37 PolarHBondContact O-N 3.17Å; L34-A38 WeakPolarHBondContact O-CB 3.42Å; L34-A38 PolarHBondContact O-N 2.71Å; L34-V49 HydrophobicContact CB-CG1 4.04Å |
| 35 | L | 93 | Very high | 92.2 | Very high | 16 Ų | 16 | 58.2 Ų | 58.2 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 177.9 | -177.9 | 66.7 | 0 | 0 | 0 | 112.1 | W31 V33 A38 Q39 F50 I53 Y63 I66 | W31-L35 WeakPolarHBondContact O-CB 3.5Å; W31-L35 PolarHBondContact O-N 3.13Å; V33-L35 PolarHBondContact O-N 3.44Å; L35-A38 PolarHBondContact O-N 3.46Å; L35-Q39 WeakPolarHBondContact O-CG 3.37Å; L35-Q39 PolarHBondContact O-N 3.13Å; L35-F50 HydrophobicContact CD1-CD1 4.3Å; L35-F50 HydrophobicContact CD1-CE1 3.88Å; L35-I53 HydrophobicContact CB-CD1 3.99Å; L35-I53 HydrophobicContact CD1-CD1 3.89Å; L35-Y63 HydrophobicContact CD2-CD1 3.7Å; L35-Y63 HydrophobicContact CD2-CE1 3.59Å; L35-I66 HydrophobicContact CD1-CD1 4.31Å; L35-I66 HydrophobicContact CD1-CG2 4.06Å; L35-I66 HydrophobicContact CD2-CD1 3.91Å; L35-I66 HydrophobicContact CG-CD1 4.41Å |
| 36 | R | 92.9 | Very high | 92.2 | Very high | 152 Ų | 152 | 55.5 Ų | 55.5 | 57% | 0.574 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -66.2 | -35.7 | 178.1 | -78.7 | 179.3 | -74.7 | -175.4 | -6.9 | 112.6 | S32 V33 L34 | S32-R36 WeakPolarHBondContact O-CB 3.23Å; S32-R36 WeakPolarHBondContact O-CG 3.42Å; S32-R36 PolarHBondContact O-N 2.88Å; S32-R36 PolarHBondContact O-NE 3.2Å; S32-R36 PolarHBondContact OG-NH2 3.37Å; V33-R36 PolarHBondContact O-N 3.03Å; L34-R36 PolarHBondContact O-N 3.32Å |
| 37 | D | 91.3 | Very high | 92.3 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 13% | 0.128 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.5 | -45.4 | 174.7 | -174.1 | 68.8 | 0 | 0 | 0 | 111.6 | V33 L34 Q39 S40 K41 | V33-D37 PolarHBondContact O-N 2.93Å; V33-D37 VanDerWaalsContact O-N 3.1Å; L34-D37 PolarHBondContact O-N 3.17Å; D37-Q39 VanDerWaalsContact C-N 3.33Å; D37-Q39 PolarHBondContact O-N 2.8Å; D37-S40 WeakPolarHBondContact O-CA 3.35Å; D37-S40 WeakPolarHBondContact O-CB 3.41Å; D37-S40 PolarHBondContact O-N 3.12Å; D37-S40 PolarHBondContact O-OG 3.12Å; D37-K41 PolarHBondContact O-N 3.49Å; D37-K41 WeakPolarHBondContact OD2-CE 3.49Å; D37-K41 IonicContact OD2-NZ 3.65Å; D37-K41 PolarHBondContact OD2-NZ 3.09Å |
| 38 | A | 92.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.5 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L34 L35 S40 K41 A46 V49 F50 | L34-A38 WeakPolarHBondContact O-CB 3.42Å; L34-A38 PolarHBondContact O-N 2.71Å; L35-A38 PolarHBondContact O-N 3.46Å; A38-S40 PolarHBondContact O-N 3.39Å; A38-K41 PolarHBondContact O-N 3.33Å; A38-A46 HydrophobicContact CB-CB 4.2Å; A38-A46 WeakPolarHBondContact O-CB 3.23Å; A38-V49 HydrophobicContact CB-CB 4.08Å; A38-V49 HydrophobicContact CB-CG1 3.94Å; A38-F50 HydrophobicContact CB-CE1 4.11Å; A38-F50 HydrophobicContact CB-CE2 4.28Å; A38-F50 HydrophobicContact CB-CZ 3.92Å |
| 39 | Q | 92.7 | Very high | 92.5 | Very high | 79 Ų | 79 | 58.4 Ų | 58.4 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.3 | -23.2 | 173.1 | -76.4 | 179.4 | -48.2 | 0 | 0 | 114 | L35 D37 F50 I66 Q70 | L35-Q39 WeakPolarHBondContact O-CG 3.37Å; L35-Q39 PolarHBondContact O-N 3.13Å; D37-Q39 VanDerWaalsContact C-N 3.33Å; D37-Q39 PolarHBondContact O-N 2.8Å; Q39-F50 HydrophobicContact CG-CZ 4.42Å; Q39-I66 HydrophobicContact CG-CG2 3.7Å; Q39-I66 VanDerWaalsContact NE2-CG2 3.3Å; Q39-Q70 PolarHBondContact O-NE2 2.87Å |
| 40 | S | 90.3 | Very high | 92.7 | Very high | 76 Ų | 76 | 52.6 Ų | 52.6 | 53% | 0.531 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -92.4 | -9.4 | 180 | 78.7 | 0 | 0 | 0 | 0 | 114.5 | D37 A38 | D37-S40 WeakPolarHBondContact O-CA 3.35Å; D37-S40 WeakPolarHBondContact O-CB 3.41Å; D37-S40 PolarHBondContact O-N 3.12Å; D37-S40 PolarHBondContact O-OG 3.12Å; A38-S40 PolarHBondContact O-N 3.39Å |
| 41 | K | 89.6 | Confident | 92.8 | Very high | 70 Ų | 70 | 55 Ų | 55 | 30% | 0.304 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -91.9 | 166.7 | 179.2 | -77.4 | 168.7 | 169.1 | 163.7 | 0 | 111.7 | D37 A38 D45 A46 | D37-K41 PolarHBondContact O-N 3.49Å; D37-K41 WeakPolarHBondContact OD2-CE 3.49Å; D37-K41 IonicContact OD2-NZ 3.65Å; D37-K41 PolarHBondContact OD2-NZ 3.09Å; A38-K41 PolarHBondContact O-N 3.33Å; K41-D45 HydrophobicContact CB-CB 4.36Å; K41-D45 HydrophobicContact CD-CB 4.47Å; K41-A46 HydrophobicContact CB-CB 4.15Å |
| 42 | K | 91.1 | Very high | 92.9 | Very high | 162 Ų | 162 | 58.4 Ų | 58.4 | 70% | 0.704 | 28% | 0.283 | S | S | * | . | trans | -65.7 | 151.5 | 165.7 | -70.8 | -176.9 | 177.5 | -178.4 | 0 | 109.2 | D44 D45 A46 | K42-D44 PolarHBondContact O-N 3.31Å; K42-D45 PolarHBondContact O-N 3.06Å; K42-A46 WeakPolarHBondContact O-CB 3.29Å; K42-A46 PolarHBondContact O-N 3.26Å | ||
| 43 | I | 92.4 | Very high | 93 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -34.2 | -174.1 | -171.1 | 52.5 | 0 | 0 | 0 | 112.7 | A46 R47 F50 Y67 Q70 E71 A74 | I43-A46 PolarHBondContact O-N 3.36Å; I43-R47 WeakPolarHBondContact O-CB 3.34Å; I43-R47 PolarHBondContact O-N 3.39Å; I43-F50 HydrophobicContact CD1-CD2 4.23Å; I43-F50 HydrophobicContact CD1-CE2 4.15Å; I43-Y67 HydrophobicContact CD1-CD2 4.5Å; I43-Y67 HydrophobicContact CD1-CE2 4.36Å; I43-Q70 HydrophobicContact CD1-CB 3.91Å; I43-E71 HydrophobicContact CD1-CG 3.98Å; I43-E71 HydrophobicContact CG1-CG 4.03Å; I43-E71 WeakPolarHBondContact CG1-OE1 3.44Å; I43-E71 WeakPolarHBondContact CG1-OE2 3.16Å; I43-A74 HydrophobicContact CB-CB 4.3Å; I43-A74 HydrophobicContact CG2-CB 3.68Å |
| 44 | D | 91.7 | Very high | 93 | Very high | 98 Ų | 98 | 54.9 Ų | 54.9 | 52% | 0.524 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.8 | -37.6 | -178.2 | -55.7 | -59 | 0 | 0 | 0 | 113.1 | K42 A46 R47 | K42-D44 PolarHBondContact O-N 3.31Å; D44-A46 VanDerWaalsContact C-N 3.34Å; D44-R47 IonicContact OD1-CZ 2.84Å; D44-R47 VanDerWaalsContact OD1-CZ 3.26Å; D44-R47 IonicContact OD1-NH1 2.68Å; D44-R47 PolarHBondContact OD1-NH1 3.22Å; D44-R47 IonicContact OD1-NH2 2.68Å; D44-R47 PolarHBondContact OD1-NH2 3.32Å |
| 45 | D | 90.3 | Very high | 93.1 | Very high | 108 Ų | 108 | 59.3 Ų | 59.3 | 58% | 0.578 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -75.6 | -24.3 | 173.2 | -50.5 | -41.8 | 0 | 0 | 0 | 112.3 | K41 K42 | K41-D45 HydrophobicContact CB-CB 4.36Å; K41-D45 HydrophobicContact CD-CB 4.47Å; K42-D45 PolarHBondContact O-N 3.06Å |
| 46 | A | 93.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -89.5 | -21.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | A38 K41 K42 I43 D44 E48 V49 F50 | A38-A46 HydrophobicContact CB-CB 4.2Å; A38-A46 WeakPolarHBondContact O-CB 3.23Å; K41-A46 HydrophobicContact CB-CB 4.15Å; K42-A46 WeakPolarHBondContact O-CB 3.29Å; K42-A46 PolarHBondContact O-N 3.26Å; I43-A46 PolarHBondContact O-N 3.36Å; D44-A46 VanDerWaalsContact C-N 3.34Å; A46-E48 PolarHBondContact O-N 2.98Å; A46-V49 PolarHBondContact O-N 3.48Å; A46-V49 VanDerWaalsContact O-N 3.1Å; A46-F50 HydrophobicContact CB-CD2 3.92Å; A46-F50 HydrophobicContact CB-CE2 3.56Å; A46-F50 HydrophobicContact CB-CZ 4.48Å; A46-F50 VanDerWaalsContact O-CD2 3.28Å; A46-F50 WeakPolarHBondContact O-CD2 3.3Å; A46-F50 PolarHBondContact O-N 3.47Å |
| 47 | R | 94.4 | Very high | 93.3 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.2 | -43.8 | -171 | -166.3 | 172.9 | -66.8 | 111.5 | 4.3 | 113.1 | I43 D44 V49 F50 E51 Y67 E71 R79 | I43-R47 WeakPolarHBondContact O-CB 3.34Å; I43-R47 PolarHBondContact O-N 3.39Å; D44-R47 IonicContact OD1-CZ 2.84Å; D44-R47 VanDerWaalsContact OD1-CZ 3.26Å; D44-R47 IonicContact OD1-NH1 2.68Å; D44-R47 PolarHBondContact OD1-NH1 3.22Å; D44-R47 IonicContact OD1-NH2 2.68Å; D44-R47 PolarHBondContact OD1-NH2 3.32Å; R47-V49 VanDerWaalsContact C-N 3.31Å; R47-V49 PolarHBondContact O-N 3.11Å; R47-F50 PolarHBondContact O-N 2.99Å; R47-E51 WeakPolarHBondContact O-CG 3.43Å; R47-E51 PolarHBondContact O-N 2.84Å; R47-Y67 HydrophobicContact CG-CE2 4.35Å; R47-Y67 WeakPolarHBondContact CG-OH 3.47Å; R47-E71 IonicContact CZ-OE1 3.6Å; R47-E71 IonicContact NE-OE1 2.82Å; R47-E71 PolarHBondContact NE-OE1 3.07Å; R47-E71 IonicContact NH2-OE1 3.51Å; R47-E71 PolarHBondContact NH2-OE1 3.29Å; R47-E71 VanDerWaalsContact NH2-OE1 3.09Å; R47-E71 IonicContact NH2-OE2 3.23Å; R47-E71 PolarHBondContact NH2-OE2 2.95Å; R47-R79 VanDerWaalsContact NH2-NH1 3.14Å |
| 48 | E | 94.4 | Very high | 93.4 | Very high | 143 Ų | 143 | 54.9 Ų | 54.9 | 67% | 0.668 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.2 | -41.3 | 177.4 | -169.7 | -169 | 150.1 | 0 | 0 | 111.9 | A46 E51 R52 | A46-E48 PolarHBondContact O-N 2.98Å; E48-E51 PolarHBondContact O-N 3.4Å; E48-R52 WeakPolarHBondContact O-CG 3.45Å; E48-R52 PolarHBondContact O-N 3.06Å |
| 49 | V | 94.3 | Very high | 93.4 | Very high | 20 Ų | 20 | 56 Ų | 56 | 12% | 0.121 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.7 | -40 | 178 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | L34 A38 A46 R47 R52 I53 | L34-V49 HydrophobicContact CB-CG1 4.04Å; A38-V49 HydrophobicContact CB-CB 4.08Å; A38-V49 HydrophobicContact CB-CG1 3.94Å; A46-V49 PolarHBondContact O-N 3.48Å; A46-V49 VanDerWaalsContact O-N 3.1Å; R47-V49 VanDerWaalsContact C-N 3.31Å; R47-V49 PolarHBondContact O-N 3.11Å; V49-R52 PolarHBondContact O-N 3.01Å; V49-I53 HydrophobicContact CG1-CD1 3.99Å; V49-I53 WeakPolarHBondContact O-CD1 3.25Å; V49-I53 VanDerWaalsContact O-CG1 3.27Å; V49-I53 WeakPolarHBondContact O-CG1 3.37Å; V49-I53 PolarHBondContact O-N 3.36Å |
| 50 | F | 95.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -44 | 174.9 | -71.7 | -55.3 | 0 | 0 | 0 | 112.3 | L35 A38 Q39 I43 A46 R47 R52 I53 V54 I66 Y67 Q70 | L35-F50 HydrophobicContact CD1-CD1 4.3Å; L35-F50 HydrophobicContact CD1-CE1 3.88Å; A38-F50 HydrophobicContact CB-CE1 4.11Å; A38-F50 HydrophobicContact CB-CE2 4.28Å; A38-F50 HydrophobicContact CB-CZ 3.92Å; Q39-F50 HydrophobicContact CG-CZ 4.42Å; I43-F50 HydrophobicContact CD1-CD2 4.23Å; I43-F50 HydrophobicContact CD1-CE2 4.15Å; A46-F50 HydrophobicContact CB-CD2 3.92Å; A46-F50 HydrophobicContact CB-CE2 3.56Å; A46-F50 HydrophobicContact CB-CZ 4.48Å; A46-F50 VanDerWaalsContact O-CD2 3.28Å; A46-F50 WeakPolarHBondContact O-CD2 3.3Å; A46-F50 PolarHBondContact O-N 3.47Å; R47-F50 PolarHBondContact O-N 2.99Å; F50-R52 PolarHBondContact O-N 3.35Å; F50-I53 PolarHBondContact O-N 3.43Å; F50-I53 VanDerWaalsContact O-N 3.16Å; F50-V54 WeakPolarHBondContact O-CG2 3.46Å; F50-V54 PolarHBondContact O-N 3.14Å; F50-I66 HydrophobicContact CE1-CG2 3.8Å; F50-I66 HydrophobicContact CZ-CG2 4.27Å; F50-Y67 HydrophobicContact CB-CD1 3.85Å; F50-Y67 HydrophobicContact CB-CD2 3.59Å; F50-Y67 HydrophobicContact CB-CE1 4.13Å; F50-Y67 HydrophobicContact CB-CE2 3.93Å; F50-Y67 HydrophobicContact CB-CG 3.59Å; F50-Y67 HydrophobicContact CD1-CG 4.39Å; F50-Y67 AromaticContact CD2-CD2 3.69Å; F50-Y67 HydrophobicContact CD2-CD2 3.69Å; F50-Y67 HydrophobicContact CD2-CE2 4.19Å; F50-Y67 HydrophobicContact CD2-CG 4.34Å; F50-Y67 AromaticContact CG-CD2 3.69Å; F50-Y67 HydrophobicContact CG-CD2 3.69Å; F50-Y67 HydrophobicContact CG-CE2 4.35Å; F50-Y67 AromaticContact CG-CG 3.89Å; F50-Y67 HydrophobicContact CG-CG 3.89Å; F50-Q70 HydrophobicContact CE2-CB 4.39Å; F50-Q70 HydrophobicContact CE2-CG 4.33Å; F50-Q70 HydrophobicContact CZ-CG 4.09Å |
| 51 | E | 96.1 | Very high | 93.5 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 176.1 | -71.9 | -67.4 | 176.1 | 0 | 0 | 111.9 | R47 E48 I53 T55 Y67 R86 | R47-E51 WeakPolarHBondContact O-CG 3.43Å; R47-E51 PolarHBondContact O-N 2.84Å; E48-E51 PolarHBondContact O-N 3.4Å; E51-I53 PolarHBondContact O-N 3.47Å; E51-T55 VanDerWaalsContact O-CB 3.23Å; E51-T55 WeakPolarHBondContact O-CB 3.4Å; E51-T55 PolarHBondContact O-N 2.96Å; E51-T55 PolarHBondContact O-OG1 3.11Å; E51-Y67 HydrophobicContact CG-CE1 4.34Å; E51-Y67 PolarHBondContact OE1-OH 2.91Å; E51-Y67 VanDerWaalsContact OE1-OH 3.09Å; E51-R86 VanDerWaalsContact CD-NH1 3.34Å; E51-R86 IonicContact OE1-CZ 2.82Å; E51-R86 IonicContact OE1-NH1 3.74Å; E51-R86 PolarHBondContact OE1-NH1 3.39Å; E51-R86 IonicContact OE1-NH2 3.21Å; E51-R86 IonicContact OE2-CZ 2.72Å; E51-R86 IonicContact OE2-NH1 3.5Å; E51-R86 PolarHBondContact OE2-NH1 3.23Å; E51-R86 VanDerWaalsContact OE2-NH1 3.13Å; E51-R86 IonicContact OE2-NH2 3.86Å; E51-R86 PolarHBondContact OE2-NH2 3.03Å |
| 52 | R | 95.3 | Very high | 93.6 | Very high | 81 Ų | 81 | 49.2 Ų | 49.2 | 31% | 0.306 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57 | -47.6 | 170.4 | -76.8 | 169.9 | 60.5 | -174.9 | -3.6 | 111.8 | E18 W31 E48 V49 F50 T55 Q56 | E18-R52 IonicContact OE1-CZ 3.33Å; E18-R52 IonicContact OE1-NH1 3.52Å; E18-R52 PolarHBondContact OE1-NH1 3.02Å; E18-R52 IonicContact OE1-NH2 2.65Å; E18-R52 PolarHBondContact OE1-NH2 3.38Å; W31-R52 HydrophobicContact CH2-CB 4.2Å; W31-R52 HydrophobicContact CZ3-CB 4.13Å; E48-R52 WeakPolarHBondContact O-CG 3.45Å; E48-R52 PolarHBondContact O-N 3.06Å; V49-R52 PolarHBondContact O-N 3.01Å; F50-R52 PolarHBondContact O-N 3.35Å; R52-T55 PolarHBondContact O-N 3.4Å; R52-Q56 PolarHBondContact O-N 2.97Å |
| 53 | I | 94.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.3 | -48.5 | -178.8 | -70 | 164.8 | 0 | 0 | 0 | 111.7 | W31 L35 V49 F50 E51 T55 Q56 F57 Y63 | W31-I53 HydrophobicContact CE3-CD1 4.46Å; W31-I53 HydrophobicContact CE3-CG1 3.53Å; W31-I53 HydrophobicContact CZ3-CG1 3.71Å; L35-I53 HydrophobicContact CB-CD1 3.99Å; L35-I53 HydrophobicContact CD1-CD1 3.89Å; V49-I53 HydrophobicContact CG1-CD1 3.99Å; V49-I53 WeakPolarHBondContact O-CD1 3.25Å; V49-I53 VanDerWaalsContact O-CG1 3.27Å; V49-I53 WeakPolarHBondContact O-CG1 3.37Å; V49-I53 PolarHBondContact O-N 3.36Å; F50-I53 PolarHBondContact O-N 3.43Å; F50-I53 VanDerWaalsContact O-N 3.16Å; E51-I53 PolarHBondContact O-N 3.47Å; I53-T55 VanDerWaalsContact C-N 3.28Å; I53-T55 PolarHBondContact O-N 3.07Å; I53-Q56 PolarHBondContact O-N 3.07Å; I53-F57 PolarHBondContact O-N 2.8Å; I53-Y63 HydrophobicContact CG2-CD1 4.42Å; I53-Y63 HydrophobicContact CG2-CD2 3.51Å; I53-Y63 HydrophobicContact CG2-CE2 4.11Å; I53-Y63 HydrophobicContact CG2-CG 3.69Å |
| 54 | V | 94.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -73.9 | -19.8 | -179.1 | -58 | 0 | 0 | 0 | 0 | 113 | F50 F57 P58 W64 Y67 | F50-V54 WeakPolarHBondContact O-CG2 3.46Å; F50-V54 PolarHBondContact O-N 3.14Å; V54-F57 CarbonylContact O-C 3.51Å; V54-P58 VanDerWaalsContact O-CA 3.22Å; V54-P58 WeakPolarHBondContact O-CA 3.32Å; V54-W64 HydrophobicContact CB-CD2 4.11Å; V54-W64 HydrophobicContact CB-CE3 4.44Å; V54-W64 HydrophobicContact CB-CH2 4.05Å; V54-W64 HydrophobicContact CB-CZ2 3.68Å; V54-W64 HydrophobicContact CB-CZ3 4.41Å; V54-W64 HydrophobicContact CG1-CD2 3.84Å; V54-W64 HydrophobicContact CG1-CE3 4.16Å; V54-W64 HydrophobicContact CG1-CG 4.18Å; V54-W64 HydrophobicContact CG1-CZ2 4.35Å; V54-W64 HydrophobicContact CG2-CH2 3.86Å; V54-W64 HydrophobicContact CG2-CZ2 3.99Å; V54-W64 HydrophobicContact CG2-CZ3 4.2Å; V54-Y67 HydrophobicContact CG1-CD1 4.32Å |
| 55 | T | 94.9 | Very high | 94 | Very high | 102 Ų | 102 | 39.6 Ų | 39.6 | 63% | 0.626 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -75.2 | -38.8 | 170.4 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | E51 R52 I53 | E51-T55 VanDerWaalsContact O-CB 3.23Å; E51-T55 WeakPolarHBondContact O-CB 3.4Å; E51-T55 PolarHBondContact O-N 2.96Å; E51-T55 PolarHBondContact O-OG1 3.11Å; R52-T55 PolarHBondContact O-N 3.4Å; I53-T55 VanDerWaalsContact C-N 3.28Å; I53-T55 PolarHBondContact O-N 3.07Å |
| 56 | Q | 94 | Very high | 94.2 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 22% | 0.215 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.1 | -38.7 | 175.5 | -172.9 | 64.2 | 36.9 | 0 | 0 | 112.3 | W26 W31 R52 I53 P58 | W26-Q56 HydrophobicContact CE3-CG 4.47Å; W26-Q56 VanDerWaalsContact CE3-NE2 3.31Å; W26-Q56 VanDerWaalsContact CZ2-NE2 3.31Å; W26-Q56 HydrophobicContact CZ3-CG 4.31Å; W26-Q56 WeakPolarHBondContact CZ3-O 3.35Å; W31-Q56 HydrophobicContact CH2-CB 4.32Å; W31-Q56 HydrophobicContact CZ2-CB 3.93Å; W31-Q56 HydrophobicContact CZ2-CG 3.8Å; R52-Q56 PolarHBondContact O-N 2.97Å; I53-Q56 PolarHBondContact O-N 3.07Å; Q56-P58 VanDerWaalsContact C-CD 3.42Å; Q56-P58 VanDerWaalsContact O-CD 3.31Å; Q56-P58 WeakPolarHBondContact O-CD 3.44Å |
| 57 | F | 94.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -122 | 66.5 | -176.4 | -58.5 | -80.5 | 0 | 0 | 0 | 111.5 | W26 W31 I53 V54 V59 A60 Y63 P231 V233 | W26-F57 HydrophobicContact CE3-CD1 4.44Å; W26-F57 AromaticContact CE3-CE1 3.85Å; W26-F57 HydrophobicContact CE3-CE1 3.85Å; W26-F57 HydrophobicContact CE3-CZ 4.38Å; W26-F57 HydrophobicContact CZ3-CD1 4.3Å; W26-F57 HydrophobicContact CZ3-CE1 4.16Å; W31-F57 HydrophobicContact CB-CE2 4.2Å; W31-F57 AromaticContact CD1-CE2 3.46Å; W31-F57 VanDerWaalsContact CD1-CE2 3.46Å; W31-F57 AromaticContact CD1-CZ 3.64Å; W31-F57 HydrophobicContact CD2-CE2 4.04Å; W31-F57 AromaticContact CG-CE2 3.67Å; W31-F57 HydrophobicContact CG-CE2 3.67Å; W31-F57 HydrophobicContact CG-CZ 4.24Å; W31-F57 AromaticContact NE1-CE2 3.69Å; W31-F57 AromaticContact NE1-CZ 3.95Å; I53-F57 PolarHBondContact O-N 2.8Å; V54-F57 CarbonylContact O-C 3.51Å; F57-V59 VanDerWaalsContact C-N 3.26Å; F57-V59 PolarHBondContact O-N 2.97Å; F57-A60 HydrophobicContact CB-CB 3.76Å; F57-A60 WeakPolarHBondContact O-CB 3.4Å; F57-A60 PolarHBondContact O-N 3.42Å; F57-A60 VanDerWaalsContact O-N 3.11Å; F57-Y63 HydrophobicContact CB-CD2 3.82Å; F57-Y63 HydrophobicContact CB-CE2 3.92Å; F57-Y63 HydrophobicContact CD1-CE2 4.49Å; F57-Y63 HydrophobicContact CD2-CD2 4.16Å; F57-Y63 AromaticContact CD2-CE2 3.71Å; F57-Y63 HydrophobicContact CD2-CE2 3.71Å; F57-Y63 HydrophobicContact CE2-CE2 4.34Å; F57-Y63 HydrophobicContact CG-CD2 4.18Å; F57-Y63 AromaticContact CG-CE2 3.8Å; F57-Y63 HydrophobicContact CG-CE2 3.8Å; F57-P231 HydrophobicContact CD1-CB 3.96Å; F57-P231 HydrophobicContact CE1-CB 4.17Å; F57-V233 HydrophobicContact CE1-CG1 4.01Å |
| 58 | P | 93.2 | Very high | 94.4 | Very high | 51 Ų | 51 | 33.7 Ų | 33.7 | 33% | 0.331 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28.9 | -171 | 25.5 | -36 | 0 | 0 | 0 | 113.9 | V54 Q56 W64 I91 L330 | V54-P58 VanDerWaalsContact O-CA 3.22Å; V54-P58 WeakPolarHBondContact O-CA 3.32Å; Q56-P58 VanDerWaalsContact C-CD 3.42Å; Q56-P58 VanDerWaalsContact O-CD 3.31Å; Q56-P58 WeakPolarHBondContact O-CD 3.44Å; P58-W64 PolarHBondContact O-NE1 3.09Å; P58-I91 WeakPolarHBondContact O-CD1 3.32Å; P58-L330 HydrophobicContact CG-CD1 3.62Å |
| 59 | V | 92.5 | Very high | 94.4 | Very high | 24 Ų | 24 | 29.9 Ų | 29.9 | 15% | 0.145 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -6.9 | 179.3 | -61.8 | 0 | 0 | 0 | 0 | 114.2 | F57 G61 L281 L330 | F57-V59 VanDerWaalsContact C-N 3.26Å; F57-V59 PolarHBondContact O-N 2.97Å; V59-G61 PolarHBondContact O-N 3.45Å; V59-L281 HydrophobicContact CB-CD2 4.38Å; V59-L330 HydrophobicContact CG1-CD2 4.28Å |
| 60 | A | 93.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 30.4 Ų | 30.4 | 7% | 0.074 | 16% | 0.155 | C | C | . | . | trans | -78.9 | 84 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F57 Q62 Y63 W64 | F57-A60 HydrophobicContact CB-CB 3.76Å; F57-A60 WeakPolarHBondContact O-CB 3.4Å; F57-A60 PolarHBondContact O-N 3.42Å; F57-A60 VanDerWaalsContact O-N 3.11Å; A60-Q62 PolarHBondContact O-N 3.46Å; A60-Y63 HydrophobicContact CB-CD2 3.54Å; A60-Y63 HydrophobicContact CB-CE2 3.99Å; A60-Y63 HydrophobicContact CB-CG 4.18Å; A60-Y63 PolarHBondContact O-N 3.4Å; A60-W64 PolarHBondContact O-N 2.92Å | ||
| 61 | G | 91.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -52.7 | -30.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V59 Y63 W64 K65 | V59-G61 PolarHBondContact O-N 3.45Å; G61-Y63 VanDerWaalsContact C-N 3.33Å; G61-Y63 PolarHBondContact O-N 2.9Å; G61-W64 PolarHBondContact O-N 2.9Å; G61-K65 VanDerWaalsContact O-CB 3.27Å; G61-K65 WeakPolarHBondContact O-CB 3.45Å; G61-K65 PolarHBondContact O-N 2.89Å |
| 62 | Q | 92.2 | Very high | 94.2 | Very high | 68 Ų | 68 | 28.6 Ų | 28.6 | 32% | 0.318 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63.8 | -33.7 | 174.9 | 176.2 | 62.5 | 8.6 | 0 | 0 | 113 | A60 I66 | A60-Q62 PolarHBondContact O-N 3.46Å; Q62-I66 HydrophobicContact CG-CD1 4.41Å; Q62-I66 VanDerWaalsContact O-CG1 3.32Å; Q62-I66 WeakPolarHBondContact O-CG1 3.33Å; Q62-I66 PolarHBondContact O-N 2.76Å; Q62-I66 VanDerWaalsContact O-N 3.15Å |
| 63 | Y | 94.2 | Very high | 94.1 | Very high | 18 Ų | 18 | 31.3 Ų | 31.3 | 7% | 0.071 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -75.9 | -42.2 | 177.1 | -61.1 | -27 | 0 | 0 | 0 | 111.6 | L35 I53 F57 A60 G61 K65 I66 Y67 P231 | L35-Y63 HydrophobicContact CD2-CD1 3.7Å; L35-Y63 HydrophobicContact CD2-CE1 3.59Å; I53-Y63 HydrophobicContact CG2-CD1 4.42Å; I53-Y63 HydrophobicContact CG2-CD2 3.51Å; I53-Y63 HydrophobicContact CG2-CE2 4.11Å; I53-Y63 HydrophobicContact CG2-CG 3.69Å; F57-Y63 HydrophobicContact CB-CD2 3.82Å; F57-Y63 HydrophobicContact CB-CE2 3.92Å; F57-Y63 HydrophobicContact CD1-CE2 4.49Å; F57-Y63 HydrophobicContact CD2-CD2 4.16Å; F57-Y63 AromaticContact CD2-CE2 3.71Å; F57-Y63 HydrophobicContact CD2-CE2 3.71Å; F57-Y63 HydrophobicContact CE2-CE2 4.34Å; F57-Y63 HydrophobicContact CG-CD2 4.18Å; F57-Y63 AromaticContact CG-CE2 3.8Å; F57-Y63 HydrophobicContact CG-CE2 3.8Å; A60-Y63 HydrophobicContact CB-CD2 3.54Å; A60-Y63 HydrophobicContact CB-CE2 3.99Å; A60-Y63 HydrophobicContact CB-CG 4.18Å; A60-Y63 PolarHBondContact O-N 3.4Å; G61-Y63 VanDerWaalsContact C-N 3.33Å; G61-Y63 PolarHBondContact O-N 2.9Å; Y63-K65 VanDerWaalsContact C-N 3.34Å; Y63-K65 PolarHBondContact O-N 2.72Å; Y63-I66 PolarHBondContact O-N 3.21Å; Y63-Y67 PolarHBondContact O-N 3.19Å; Y63-P231 HydrophobicContact CE2-CB 4.21Å; Y63-P231 HydrophobicContact CE2-CG 4.14Å; Y63-P231 VanDerWaalsContact OH-CG 3.26Å; Y63-P231 WeakPolarHBondContact OH-CG 3.13Å |
| 64 | W | 95.9 | Very high | 94 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.7 | -46.6 | 171 | -73.5 | 100 | 0 | 0 | 0 | 112 | V54 P58 A60 G61 I66 Y67 I68 L83 R86 C87 I91 L96 | V54-W64 HydrophobicContact CB-CD2 4.11Å; V54-W64 HydrophobicContact CB-CE3 4.44Å; V54-W64 HydrophobicContact CB-CH2 4.05Å; V54-W64 HydrophobicContact CB-CZ2 3.68Å; V54-W64 HydrophobicContact CB-CZ3 4.41Å; V54-W64 HydrophobicContact CG1-CD2 3.84Å; V54-W64 HydrophobicContact CG1-CE3 4.16Å; V54-W64 HydrophobicContact CG1-CG 4.18Å; V54-W64 HydrophobicContact CG1-CZ2 4.35Å; V54-W64 HydrophobicContact CG2-CH2 3.86Å; V54-W64 HydrophobicContact CG2-CZ2 3.99Å; V54-W64 HydrophobicContact CG2-CZ3 4.2Å; P58-W64 PolarHBondContact O-NE1 3.09Å; A60-W64 PolarHBondContact O-N 2.92Å; G61-W64 PolarHBondContact O-N 2.9Å; W64-I66 VanDerWaalsContact C-N 3.35Å; W64-I66 PolarHBondContact O-N 2.98Å; W64-Y67 PolarHBondContact O-N 2.83Å; W64-I68 WeakPolarHBondContact O-CB 3.45Å; W64-I68 WeakPolarHBondContact O-CG1 3.38Å; W64-I68 PolarHBondContact O-N 2.96Å; W64-L83 HydrophobicContact CZ3-CD2 3.98Å; W64-R86 HydrophobicContact CH2-CB 4.12Å; W64-R86 HydrophobicContact CZ3-CB 4.33Å; W64-C87 HydrophobicContact CD2-CB 3.56Å; W64-C87 HydrophobicContact CE3-CB 3.65Å; W64-C87 HydrophobicContact CG-CB 4.11Å; W64-C87 HydrophobicContact CH2-CB 4.06Å; W64-C87 HydrophobicContact CZ2-CB 3.97Å; W64-C87 HydrophobicContact CZ3-CB 3.9Å; W64-I91 HydrophobicContact CD2-CD1 4.45Å; W64-I91 HydrophobicContact CG-CD1 3.97Å; W64-I91 VanDerWaalsContact NE1-CD1 3.29Å; W64-L96 HydrophobicContact CB-CD1 4.17Å |
| 65 | K | 94.5 | Very high | 93.9 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 19% | 0.187 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.3 | -45.7 | 173.1 | 151.9 | 165 | 176.5 | -143.1 | 0 | 112.9 | G61 Y63 N69 D95 I99 | G61-K65 VanDerWaalsContact O-CB 3.27Å; G61-K65 WeakPolarHBondContact O-CB 3.45Å; G61-K65 PolarHBondContact O-N 2.89Å; Y63-K65 VanDerWaalsContact C-N 3.34Å; Y63-K65 PolarHBondContact O-N 2.72Å; K65-N69 WeakPolarHBondContact O-CB 3.34Å; K65-N69 PolarHBondContact O-N 3.06Å; K65-D95 HydrophobicContact CD-CB 3.52Å; K65-D95 IonicContact NZ-OD2 3.76Å; K65-D95 PolarHBondContact NZ-OD2 2.55Å; K65-I99 HydrophobicContact CB-CD1 3.98Å; K65-I99 HydrophobicContact CD-CD1 3.82Å; K65-I99 HydrophobicContact CG-CD1 3.49Å; K65-I99 VanDerWaalsContact CG-CD1 3.49Å |
| 66 | I | 94.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 37.5 Ų | 37.5 | 10% | 0.103 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -46.1 | 178.5 | -71.7 | 165 | 0 | 0 | 0 | 110.5 | L35 Q39 F50 Q62 Y63 W64 Q70 | L35-I66 HydrophobicContact CD1-CD1 4.31Å; L35-I66 HydrophobicContact CD1-CG2 4.06Å; L35-I66 HydrophobicContact CD2-CD1 3.91Å; L35-I66 HydrophobicContact CG-CD1 4.41Å; Q39-I66 HydrophobicContact CG-CG2 3.7Å; Q39-I66 VanDerWaalsContact NE2-CG2 3.3Å; F50-I66 HydrophobicContact CE1-CG2 3.8Å; F50-I66 HydrophobicContact CZ-CG2 4.27Å; Q62-I66 HydrophobicContact CG-CD1 4.41Å; Q62-I66 VanDerWaalsContact O-CG1 3.32Å; Q62-I66 WeakPolarHBondContact O-CG1 3.33Å; Q62-I66 PolarHBondContact O-N 2.76Å; Q62-I66 VanDerWaalsContact O-N 3.15Å; Y63-I66 PolarHBondContact O-N 3.21Å; W64-I66 VanDerWaalsContact C-N 3.35Å; W64-I66 PolarHBondContact O-N 2.98Å; I66-Q70 VanDerWaalsContact O-CG 3.29Å; I66-Q70 WeakPolarHBondContact O-CG 3.18Å; I66-Q70 PolarHBondContact O-N 3.07Å |
| 67 | Y | 95.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 2% | 0.02 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -51.5 | -179.4 | -178.9 | -163 | 0 | 0 | 0 | 111.7 | I43 R47 F50 E51 V54 Y63 W64 N69 Q70 E71 L83 | I43-Y67 HydrophobicContact CD1-CD2 4.5Å; I43-Y67 HydrophobicContact CD1-CE2 4.36Å; R47-Y67 HydrophobicContact CG-CE2 4.35Å; R47-Y67 WeakPolarHBondContact CG-OH 3.47Å; F50-Y67 HydrophobicContact CB-CD1 3.85Å; F50-Y67 HydrophobicContact CB-CD2 3.59Å; F50-Y67 HydrophobicContact CB-CE1 4.13Å; F50-Y67 HydrophobicContact CB-CE2 3.93Å; F50-Y67 HydrophobicContact CB-CG 3.59Å; F50-Y67 HydrophobicContact CD1-CG 4.39Å; F50-Y67 AromaticContact CD2-CD2 3.69Å; F50-Y67 HydrophobicContact CD2-CD2 3.69Å; F50-Y67 HydrophobicContact CD2-CE2 4.19Å; F50-Y67 HydrophobicContact CD2-CG 4.34Å; F50-Y67 AromaticContact CG-CD2 3.69Å; F50-Y67 HydrophobicContact CG-CD2 3.69Å; F50-Y67 HydrophobicContact CG-CE2 4.35Å; F50-Y67 AromaticContact CG-CG 3.89Å; F50-Y67 HydrophobicContact CG-CG 3.89Å; E51-Y67 HydrophobicContact CG-CE1 4.34Å; E51-Y67 PolarHBondContact OE1-OH 2.91Å; E51-Y67 VanDerWaalsContact OE1-OH 3.09Å; V54-Y67 HydrophobicContact CG1-CD1 4.32Å; Y63-Y67 PolarHBondContact O-N 3.19Å; W64-Y67 PolarHBondContact O-N 2.83Å; Y67-N69 VanDerWaalsContact C-N 3.34Å; Y67-N69 PolarHBondContact O-N 3.26Å; Y67-Q70 PolarHBondContact O-N 3.36Å; Y67-Q70 VanDerWaalsContact O-N 3.08Å; Y67-E71 HydrophobicContact CD2-CG 4.14Å; Y67-E71 HydrophobicContact CE2-CG 3.74Å; Y67-E71 PolarHBondContact O-N 2.89Å; Y67-E71 VanDerWaalsContact O-N 3.09Å; Y67-L83 HydrophobicContact CD1-CD1 4.13Å; Y67-L83 HydrophobicContact CD1-CD2 3.94Å; Y67-L83 HydrophobicContact CD2-CD1 4.36Å; Y67-L83 HydrophobicContact CE1-CD1 3.92Å; Y67-L83 HydrophobicContact CE1-CD2 3.39Å; Y67-L83 HydrophobicContact CE1-CG 4.32Å; Y67-L83 HydrophobicContact CE2-CD1 4.12Å; Y67-L83 HydrophobicContact CG-CD1 4.33Å |
| 68 | I | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 179.3 | -71.1 | 164.3 | 0 | 0 | 0 | 111.3 | W64 Q70 E71 M72 V80 L83 F84 L96 I99 | W64-I68 WeakPolarHBondContact O-CB 3.45Å; W64-I68 WeakPolarHBondContact O-CG1 3.38Å; W64-I68 PolarHBondContact O-N 2.96Å; I68-Q70 VanDerWaalsContact C-N 3.29Å; I68-Q70 PolarHBondContact O-N 3.08Å; I68-E71 PolarHBondContact O-N 3.3Å; I68-M72 HydrophobicContact CG2-CG 4.33Å; I68-M72 HydrophobicContact CG2-SD 4.2Å; I68-M72 WeakPolarHBondContact O-CB 3.38Å; I68-M72 WeakPolarHBondContact O-CG 3.4Å; I68-M72 PolarHBondContact O-N 3.25Å; I68-V80 HydrophobicContact CG2-CG1 4.08Å; I68-L83 HydrophobicContact CD1-CB 4.17Å; I68-L83 HydrophobicContact CG1-CB 3.8Å; I68-L83 HydrophobicContact CG1-CD1 3.89Å; I68-L83 HydrophobicContact CG1-CG 4.46Å; I68-F84 HydrophobicContact CD1-CD1 4.12Å; I68-F84 HydrophobicContact CD1-CE1 3.96Å; I68-F84 HydrophobicContact CD1-CZ 4.47Å; I68-F84 HydrophobicContact CG2-CE1 4.29Å; I68-F84 HydrophobicContact CG2-CE2 4.16Å; I68-F84 HydrophobicContact CG2-CZ 3.76Å; I68-L96 HydrophobicContact CD1-CD1 3.66Å; I68-I99 HydrophobicContact CG2-CG2 3.89Å |
| 69 | N | 94.5 | Very high | 93.8 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 34% | 0.342 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.2 | -33.9 | 177.8 | -169.9 | -5.1 | 0 | 0 | 0 | 112.1 | K65 Y67 K73 | K65-N69 WeakPolarHBondContact O-CB 3.34Å; K65-N69 PolarHBondContact O-N 3.06Å; Y67-N69 VanDerWaalsContact C-N 3.34Å; Y67-N69 PolarHBondContact O-N 3.26Å; N69-K73 VanDerWaalsContact O-CG 3.27Å; N69-K73 WeakPolarHBondContact O-CG 3.29Å; N69-K73 PolarHBondContact O-N 3.25Å; N69-K73 VanDerWaalsContact OD1-CE 3.28Å; N69-K73 WeakPolarHBondContact OD1-CE 3.23Å |
| 70 | Q | 93.5 | Very high | 93.9 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72 | -38.3 | 175.3 | -63.3 | -75.7 | 94.4 | 0 | 0 | 112.4 | Q39 I43 F50 I66 Y67 I68 A74 | Q39-Q70 PolarHBondContact O-NE2 2.87Å; I43-Q70 HydrophobicContact CD1-CB 3.91Å; F50-Q70 HydrophobicContact CE2-CB 4.39Å; F50-Q70 HydrophobicContact CE2-CG 4.33Å; F50-Q70 HydrophobicContact CZ-CG 4.09Å; I66-Q70 VanDerWaalsContact O-CG 3.29Å; I66-Q70 WeakPolarHBondContact O-CG 3.18Å; I66-Q70 PolarHBondContact O-N 3.07Å; Y67-Q70 PolarHBondContact O-N 3.36Å; Y67-Q70 VanDerWaalsContact O-N 3.08Å; I68-Q70 VanDerWaalsContact C-N 3.29Å; I68-Q70 PolarHBondContact O-N 3.08Å; Q70-A74 PolarHBondContact O-N 2.84Å; Q70-A74 VanDerWaalsContact O-N 3.14Å |
| 71 | E | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68 | -35.9 | 172.1 | -69.4 | -74 | -171.2 | 0 | 0 | 112.1 | I43 R47 Y67 I68 A74 K75 N76 V80 L83 | I43-E71 HydrophobicContact CD1-CG 3.98Å; I43-E71 HydrophobicContact CG1-CG 4.03Å; I43-E71 WeakPolarHBondContact CG1-OE1 3.44Å; I43-E71 WeakPolarHBondContact CG1-OE2 3.16Å; R47-E71 IonicContact CZ-OE1 3.6Å; R47-E71 IonicContact NE-OE1 2.82Å; R47-E71 PolarHBondContact NE-OE1 3.07Å; R47-E71 IonicContact NH2-OE1 3.51Å; R47-E71 PolarHBondContact NH2-OE1 3.29Å; R47-E71 VanDerWaalsContact NH2-OE1 3.09Å; R47-E71 IonicContact NH2-OE2 3.23Å; R47-E71 PolarHBondContact NH2-OE2 2.95Å; Y67-E71 HydrophobicContact CD2-CG 4.14Å; Y67-E71 HydrophobicContact CE2-CG 3.74Å; Y67-E71 PolarHBondContact O-N 2.89Å; Y67-E71 VanDerWaalsContact O-N 3.09Å; I68-E71 PolarHBondContact O-N 3.3Å; E71-A74 CarbonylContact O-C 3.59Å; E71-A74 PolarHBondContact O-N 3.44Å; E71-K75 PolarHBondContact O-N 3.36Å; E71-K75 VanDerWaalsContact O-N 3.12Å; E71-N76 PolarHBondContact O-N 3.44Å; E71-N76 VanDerWaalsContact OE2-CB 3.26Å; E71-N76 WeakPolarHBondContact OE2-CB 3.26Å; E71-N76 PolarHBondContact OE2-ND2 3.27Å; E71-V80 HydrophobicContact CB-CG2 3.73Å; E71-L83 HydrophobicContact CG-CD1 4.09Å |
| 72 | M | 93.4 | Very high | 94.2 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 172.5 | -77 | -174.8 | 68.4 | 0 | 0 | 112.1 | I68 A74 K75 V80 I99 Q102 E106 | I68-M72 HydrophobicContact CG2-CG 4.33Å; I68-M72 HydrophobicContact CG2-SD 4.2Å; I68-M72 WeakPolarHBondContact O-CB 3.38Å; I68-M72 WeakPolarHBondContact O-CG 3.4Å; I68-M72 PolarHBondContact O-N 3.25Å; M72-A74 PolarHBondContact O-N 3.32Å; M72-K75 WeakPolarHBondContact O-CA 3.13Å; M72-K75 PolarHBondContact O-N 3.2Å; M72-V80 HydrophobicContact CG-CB 4.49Å; M72-V80 HydrophobicContact CG-CG1 3.98Å; M72-V80 HydrophobicContact CG-CG2 3.71Å; M72-I99 HydrophobicContact SD-CG2 3.61Å; M72-Q102 HydrophobicContact CE-CG 4.37Å; M72-E106 VanDerWaalsContact CE-OE2 3.32Å; M72-E106 WeakPolarHBondContact CE-OE2 3.44Å |
| 73 | K | 92.8 | Very high | 94.3 | Very high | 137 Ų | 137 | 53.5 Ų | 53.5 | 60% | 0.596 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -59.3 | -34.1 | 173.9 | -73.4 | 170.6 | -166.5 | 170.2 | 0 | 112.7 | N69 K75 | N69-K73 VanDerWaalsContact O-CG 3.27Å; N69-K73 WeakPolarHBondContact O-CG 3.29Å; N69-K73 PolarHBondContact O-N 3.25Å; N69-K73 VanDerWaalsContact OD1-CE 3.28Å; N69-K73 WeakPolarHBondContact OD1-CE 3.23Å; K73-K75 PolarHBondContact O-N 3.23Å |
| 74 | A | 93.4 | Very high | 94.4 | Very high | 43 Ų | 43 | 53.2 Ų | 53.2 | 36% | 0.355 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -5.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I43 Q70 E71 M72 N76 | I43-A74 HydrophobicContact CB-CB 4.3Å; I43-A74 HydrophobicContact CG2-CB 3.68Å; Q70-A74 PolarHBondContact O-N 2.84Å; Q70-A74 VanDerWaalsContact O-N 3.14Å; E71-A74 CarbonylContact O-C 3.59Å; E71-A74 PolarHBondContact O-N 3.44Å; M72-A74 PolarHBondContact O-N 3.32Å; A74-N76 PolarHBondContact O-N 3.41Å |
| 75 | K | 92.8 | Very high | 94.4 | Very high | 147 Ų | 147 | 58.5 Ų | 58.5 | 64% | 0.639 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 25.7 | -176.1 | -55.9 | -178.4 | -179.5 | 177.8 | 0 | 114.4 | E71 M72 K73 Y77 | E71-K75 PolarHBondContact O-N 3.36Å; E71-K75 VanDerWaalsContact O-N 3.12Å; M72-K75 WeakPolarHBondContact O-CA 3.13Å; M72-K75 PolarHBondContact O-N 3.2Å; K73-K75 PolarHBondContact O-N 3.23Å; K75-Y77 HydrophobicContact CB-CE2 3.89Å; K75-Y77 HydrophobicContact CG-CE2 4.43Å; K75-Y77 VanDerWaalsContact O-CD2 3.3Å; K75-Y77 WeakPolarHBondContact O-CD2 3.33Å; K75-Y77 PolarHBondContact O-N 3.32Å |
| 76 | N | 93.4 | Very high | 94.3 | Very high | 47 Ų | 47 | 61.3 Ų | 61.3 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | trans | -82.1 | 58.7 | 178.7 | -70.8 | -25.4 | 0 | 0 | 0 | 111.3 | E71 A74 E78 R79 V80 | E71-N76 PolarHBondContact O-N 3.44Å; E71-N76 VanDerWaalsContact OE2-CB 3.26Å; E71-N76 WeakPolarHBondContact OE2-CB 3.26Å; E71-N76 PolarHBondContact OE2-ND2 3.27Å; A74-N76 PolarHBondContact O-N 3.41Å; N76-E78 VanDerWaalsContact C-N 3.27Å; N76-E78 PolarHBondContact O-N 2.87Å; N76-E78 VanDerWaalsContact O-N 3.16Å; N76-R79 HydrophobicContact CB-CB 4.31Å; N76-R79 WeakPolarHBondContact O-CB 3.44Å; N76-R79 PolarHBondContact O-N 2.93Å; N76-V80 PolarHBondContact O-N 3.48Å; N76-V80 VanDerWaalsContact O-N 3.11Å | ||
| 77 | Y | 92.9 | Very high | 94.3 | Very high | 74 Ų | 74 | 60.4 Ų | 60.4 | 29% | 0.29 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.7 | -32.2 | -169 | -60 | -64.6 | 0 | 0 | 0 | 114.5 | K75 R79 V80 E81 Y103 | K75-Y77 HydrophobicContact CB-CE2 3.89Å; K75-Y77 HydrophobicContact CG-CE2 4.43Å; K75-Y77 VanDerWaalsContact O-CD2 3.3Å; K75-Y77 WeakPolarHBondContact O-CD2 3.33Å; K75-Y77 PolarHBondContact O-N 3.32Å; Y77-R79 VanDerWaalsContact C-N 3.33Å; Y77-R79 PolarHBondContact O-N 3.24Å; Y77-V80 WeakPolarHBondContact O-CB 3.49Å; Y77-V80 PolarHBondContact O-N 3.39Å; Y77-E81 PolarHBondContact O-N 3.17Å; Y77-Y103 HydrophobicContact CD1-CD2 4.17Å; Y77-Y103 HydrophobicContact CD1-CE2 4.08Å |
| 78 | E | 93.7 | Very high | 94.2 | Very high | 153 Ų | 153 | 60.6 Ų | 60.6 | 72% | 0.715 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.9 | -35.2 | 174.1 | -62.9 | 177.6 | -170.4 | 0 | 0 | 113 | N76 K82 | N76-E78 VanDerWaalsContact C-N 3.27Å; N76-E78 PolarHBondContact O-N 2.87Å; N76-E78 VanDerWaalsContact O-N 3.16Å; E78-K82 WeakPolarHBondContact O-CG 3.45Å; E78-K82 PolarHBondContact O-N 3.19Å |
| 79 | R | 93.8 | Very high | 93.9 | Very high | 108 Ų | 108 | 64.2 Ų | 64.2 | 41% | 0.408 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73.5 | -40.4 | 173.8 | -71.8 | -171.5 | 171.3 | 118.7 | -0.4 | 110.7 | R47 N76 Y77 E81 K82 L83 | R47-R79 VanDerWaalsContact NH2-NH1 3.14Å; N76-R79 HydrophobicContact CB-CB 4.31Å; N76-R79 WeakPolarHBondContact O-CB 3.44Å; N76-R79 PolarHBondContact O-N 2.93Å; Y77-R79 VanDerWaalsContact C-N 3.33Å; Y77-R79 PolarHBondContact O-N 3.24Å; R79-E81 VanDerWaalsContact C-N 3.31Å; R79-E81 PolarHBondContact O-N 3.19Å; R79-K82 PolarHBondContact O-N 3.17Å; R79-L83 VanDerWaalsContact O-CG 3.31Å; R79-L83 WeakPolarHBondContact O-CG 3.44Å; R79-L83 PolarHBondContact O-N 3.39Å |
| 80 | V | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58 | -43.6 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | I68 E71 M72 N76 Y77 L83 F84 Y103 | I68-V80 HydrophobicContact CG2-CG1 4.08Å; E71-V80 HydrophobicContact CB-CG2 3.73Å; M72-V80 HydrophobicContact CG-CB 4.49Å; M72-V80 HydrophobicContact CG-CG1 3.98Å; M72-V80 HydrophobicContact CG-CG2 3.71Å; N76-V80 PolarHBondContact O-N 3.48Å; N76-V80 VanDerWaalsContact O-N 3.11Å; Y77-V80 WeakPolarHBondContact O-CB 3.49Å; Y77-V80 PolarHBondContact O-N 3.39Å; V80-L83 PolarHBondContact O-N 2.82Å; V80-F84 HydrophobicContact CG1-CD2 3.74Å; V80-F84 HydrophobicContact CG1-CE2 3.37Å; V80-F84 HydrophobicContact CG1-CZ 4.36Å; V80-F84 VanDerWaalsContact O-CD2 3.26Å; V80-F84 WeakPolarHBondContact O-CD2 3.11Å; V80-F84 PolarHBondContact O-N 3.36Å; V80-Y103 HydrophobicContact CB-CD2 4.26Å; V80-Y103 HydrophobicContact CB-CE2 4.17Å; V80-Y103 HydrophobicContact CG1-CD2 3.43Å; V80-Y103 VanDerWaalsContact CG1-CD2 3.43Å; V80-Y103 HydrophobicContact CG1-CE2 3.73Å; V80-Y103 HydrophobicContact CG1-CG 3.91Å |
| 81 | E | 94.5 | Very high | 93.7 | Very high | 71 Ų | 71 | 66.7 Ų | 66.7 | 33% | 0.332 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.1 | -47.9 | 175.8 | -167.2 | 159 | -162.8 | 0 | 0 | 112 | Y77 R79 L83 F84 Q85 Y103 | Y77-E81 PolarHBondContact O-N 3.17Å; R79-E81 VanDerWaalsContact C-N 3.31Å; R79-E81 PolarHBondContact O-N 3.19Å; E81-L83 VanDerWaalsContact C-N 3.31Å; E81-L83 PolarHBondContact O-N 3.21Å; E81-F84 PolarHBondContact O-N 3.02Å; E81-Q85 WeakPolarHBondContact O-CG 3.44Å; E81-Q85 PolarHBondContact O-N 2.98Å; E81-Y103 PolarHBondContact OE2-OH 3.23Å |
| 82 | K | 95.7 | Very high | 93.7 | Very high | 131 Ų | 131 | 67.5 Ų | 67.5 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.1 | -32.6 | 175.1 | -69.3 | 175.3 | -177.9 | 178.4 | 0 | 113.2 | E78 R79 R86 | E78-K82 WeakPolarHBondContact O-CG 3.45Å; E78-K82 PolarHBondContact O-N 3.19Å; R79-K82 PolarHBondContact O-N 3.17Å; K82-R86 WeakPolarHBondContact O-CG 3.45Å; K82-R86 PolarHBondContact O-N 3.35Å |
| 83 | L | 95.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70 | -42.6 | 174.6 | -70.2 | 172.6 | 0 | 0 | 0 | 111.4 | W64 Y67 I68 E71 R79 V80 E81 R86 C87 | W64-L83 HydrophobicContact CZ3-CD2 3.98Å; Y67-L83 HydrophobicContact CD1-CD1 4.13Å; Y67-L83 HydrophobicContact CD1-CD2 3.94Å; Y67-L83 HydrophobicContact CD2-CD1 4.36Å; Y67-L83 HydrophobicContact CE1-CD1 3.92Å; Y67-L83 HydrophobicContact CE1-CD2 3.39Å; Y67-L83 HydrophobicContact CE1-CG 4.32Å; Y67-L83 HydrophobicContact CE2-CD1 4.12Å; Y67-L83 HydrophobicContact CG-CD1 4.33Å; I68-L83 HydrophobicContact CD1-CB 4.17Å; I68-L83 HydrophobicContact CG1-CB 3.8Å; I68-L83 HydrophobicContact CG1-CD1 3.89Å; I68-L83 HydrophobicContact CG1-CG 4.46Å; E71-L83 HydrophobicContact CG-CD1 4.09Å; R79-L83 VanDerWaalsContact O-CG 3.31Å; R79-L83 WeakPolarHBondContact O-CG 3.44Å; R79-L83 PolarHBondContact O-N 3.39Å; V80-L83 PolarHBondContact O-N 2.82Å; E81-L83 VanDerWaalsContact C-N 3.31Å; E81-L83 PolarHBondContact O-N 3.21Å; L83-R86 PolarHBondContact O-N 3.35Å; L83-C87 PolarHBondContact O-N 3.49Å; L83-C87 PolarHBondContact O-SG 3.34Å |
| 84 | F | 95.8 | Very high | 93.8 | Very high | 11 Ų | 11 | 61.8 Ų | 61.8 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 174.4 | -75.6 | -56.7 | 0 | 0 | 0 | 112.2 | I68 V80 E81 R86 C87 L88 L96 I99 Y100 Y103 | I68-F84 HydrophobicContact CD1-CD1 4.12Å; I68-F84 HydrophobicContact CD1-CE1 3.96Å; I68-F84 HydrophobicContact CD1-CZ 4.47Å; I68-F84 HydrophobicContact CG2-CE1 4.29Å; I68-F84 HydrophobicContact CG2-CE2 4.16Å; I68-F84 HydrophobicContact CG2-CZ 3.76Å; V80-F84 HydrophobicContact CG1-CD2 3.74Å; V80-F84 HydrophobicContact CG1-CE2 3.37Å; V80-F84 HydrophobicContact CG1-CZ 4.36Å; V80-F84 VanDerWaalsContact O-CD2 3.26Å; V80-F84 WeakPolarHBondContact O-CD2 3.11Å; V80-F84 PolarHBondContact O-N 3.36Å; E81-F84 PolarHBondContact O-N 3.02Å; F84-R86 PolarHBondContact O-N 3.18Å; F84-C87 PolarHBondContact O-N 3.02Å; F84-L88 HydrophobicContact CB-CB 4.46Å; F84-L88 HydrophobicContact CD1-CB 4.34Å; F84-L88 HydrophobicContact CD1-CD1 4.19Å; F84-L88 HydrophobicContact CD1-CD2 4.43Å; F84-L88 VanDerWaalsContact O-CB 3.26Å; F84-L88 WeakPolarHBondContact O-CB 3.21Å; F84-L88 PolarHBondContact O-N 3.26Å; F84-L96 HydrophobicContact CE1-CD1 4.27Å; F84-I99 HydrophobicContact CZ-CG2 4.21Å; F84-Y100 HydrophobicContact CD1-CD2 4.18Å; F84-Y100 HydrophobicContact CD2-CD2 4.22Å; F84-Y100 HydrophobicContact CE1-CD2 4.35Å; F84-Y100 HydrophobicContact CE2-CD2 4.38Å; F84-Y100 HydrophobicContact CG-CD2 4.12Å; F84-Y100 VanDerWaalsContact CZ-CA 3.42Å; F84-Y100 HydrophobicContact CZ-CD2 4.45Å; F84-Y103 AromaticContact CD2-CD1 3.99Å; F84-Y103 HydrophobicContact CD2-CD1 3.99Å; F84-Y103 HydrophobicContact CD2-CE1 4.34Å; F84-Y103 HydrophobicContact CD2-CG 4.35Å; F84-Y103 AromaticContact CE2-CD1 3.69Å; F84-Y103 HydrophobicContact CE2-CD1 3.69Å; F84-Y103 HydrophobicContact CE2-CD2 4.41Å; F84-Y103 HydrophobicContact CE2-CE1 4.44Å; F84-Y103 AromaticContact CE2-CG 3.68Å; F84-Y103 HydrophobicContact CE2-CG 3.68Å |
| 85 | Q | 94.5 | Very high | 93.8 | Very high | 125 Ų | 125 | 62.4 Ų | 62.4 | 58% | 0.584 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -56.3 | -33.3 | 174.3 | -72.5 | 171.9 | -17.2 | 0 | 0 | 112.9 | E81 | E81-Q85 WeakPolarHBondContact O-CG 3.44Å; E81-Q85 PolarHBondContact O-N 2.98Å |
| 86 | R | 94 | Very high | 93.9 | Very high | 101 Ų | 101 | 55.4 Ų | 55.4 | 38% | 0.381 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -75 | -33.4 | 178.3 | -74.5 | 167.4 | 64.6 | -167.8 | 1.7 | 114 | E51 W64 K82 L83 F84 | E51-R86 VanDerWaalsContact CD-NH1 3.34Å; E51-R86 IonicContact OE1-CZ 2.82Å; E51-R86 IonicContact OE1-NH1 3.74Å; E51-R86 PolarHBondContact OE1-NH1 3.39Å; E51-R86 IonicContact OE1-NH2 3.21Å; E51-R86 IonicContact OE2-CZ 2.72Å; E51-R86 IonicContact OE2-NH1 3.5Å; E51-R86 PolarHBondContact OE2-NH1 3.23Å; E51-R86 VanDerWaalsContact OE2-NH1 3.13Å; E51-R86 IonicContact OE2-NH2 3.86Å; E51-R86 PolarHBondContact OE2-NH2 3.03Å; W64-R86 HydrophobicContact CH2-CB 4.12Å; W64-R86 HydrophobicContact CZ3-CB 4.33Å; K82-R86 WeakPolarHBondContact O-CG 3.45Å; K82-R86 PolarHBondContact O-N 3.35Å; L83-R86 PolarHBondContact O-N 3.35Å; F84-R86 PolarHBondContact O-N 3.18Å |
| 87 | C | 93.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -124.9 | -30.3 | -163.9 | 71.2 | 0 | 0 | 0 | 0 | 116.6 | W64 L83 F84 V89 K90 I91 | W64-C87 HydrophobicContact CD2-CB 3.56Å; W64-C87 HydrophobicContact CE3-CB 3.65Å; W64-C87 HydrophobicContact CG-CB 4.11Å; W64-C87 HydrophobicContact CH2-CB 4.06Å; W64-C87 HydrophobicContact CZ2-CB 3.97Å; W64-C87 HydrophobicContact CZ3-CB 3.9Å; L83-C87 PolarHBondContact O-N 3.49Å; L83-C87 PolarHBondContact O-SG 3.34Å; F84-C87 PolarHBondContact O-N 3.02Å; C87-V89 PolarHBondContact O-N 3.03Å; C87-K90 PolarHBondContact O-N 3.15Å; C87-K90 VanDerWaalsContact O-N 3.1Å; C87-I91 HydrophobicContact CB-CD1 3.85Å; C87-I91 WeakPolarHBondContact O-CG1 3.45Å; C87-I91 PolarHBondContact O-N 3.09Å; C87-I91 VanDerWaalsContact O-N 3.11Å |
| 88 | L | 92.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -49.1 | -161.8 | -174.9 | 65.8 | 0 | 0 | 0 | 113.5 | F84 K90 I91 L96 W97 Y100 F124 | F84-L88 HydrophobicContact CB-CB 4.46Å; F84-L88 HydrophobicContact CD1-CB 4.34Å; F84-L88 HydrophobicContact CD1-CD1 4.19Å; F84-L88 HydrophobicContact CD1-CD2 4.43Å; F84-L88 VanDerWaalsContact O-CB 3.26Å; F84-L88 WeakPolarHBondContact O-CB 3.21Å; F84-L88 PolarHBondContact O-N 3.26Å; L88-K90 VanDerWaalsContact C-N 3.28Å; L88-K90 PolarHBondContact O-N 3.26Å; L88-I91 PolarHBondContact O-N 3.43Å; L88-L96 HydrophobicContact CD1-CG 4.31Å; L88-W97 HydrophobicContact CD1-CD2 3.62Å; L88-W97 HydrophobicContact CD1-CE3 3.99Å; L88-W97 HydrophobicContact CD1-CG 3.97Å; L88-W97 HydrophobicContact CD1-CH2 4.45Å; L88-W97 HydrophobicContact CD1-CZ2 4.08Å; L88-W97 HydrophobicContact CD1-CZ3 4.4Å; L88-W97 HydrophobicContact CD2-CE3 4.45Å; L88-W97 HydrophobicContact CD2-CH2 4.33Å; L88-W97 HydrophobicContact CD2-CZ3 4.21Å; L88-W97 HydrophobicContact CG-CD2 4.23Å; L88-W97 HydrophobicContact CG-CE3 4.31Å; L88-W97 HydrophobicContact CG-CH2 4Å; L88-W97 HydrophobicContact CG-CZ2 3.85Å; L88-W97 HydrophobicContact CG-CZ3 4.21Å; L88-W97 WeakPolarHBondContact O-CZ2 3.49Å; L88-W97 PolarHBondContact O-NE1 3.48Å; L88-Y100 HydrophobicContact CD1-CG 4.31Å; L88-Y100 HydrophobicContact CD2-CD1 4.02Å; L88-Y100 HydrophobicContact CD2-CD2 3.46Å; L88-Y100 VanDerWaalsContact CD2-CD2 3.46Å; L88-Y100 HydrophobicContact CD2-CE1 4.15Å; L88-Y100 HydrophobicContact CD2-CE2 3.59Å; L88-Y100 HydrophobicContact CD2-CG 3.66Å; L88-F124 HydrophobicContact CD2-CE1 4.35Å |
| 89 | V | 90.8 | Very high | 94.3 | Very high | 77 Ų | 77 | 46.3 Ų | 46.3 | 47% | 0.467 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -25.9 | -179.7 | -176.3 | 0 | 0 | 0 | 0 | 112 | C87 F124 A776 | C87-V89 PolarHBondContact O-N 3.03Å; V89-F124 HydrophobicContact CG2-CZ 4.3Å; V89-A776 HydrophobicContact CG2-CB 4.48Å |
| 90 | K | 89.8 | Confident | 94.4 | Very high | 144 Ų | 144 | 42.8 Ų | 42.8 | 63% | 0.626 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -11.5 | -177.3 | -62.7 | 178.3 | -177.8 | 173.1 | 0 | 113.6 | C87 L88 | C87-K90 PolarHBondContact O-N 3.15Å; C87-K90 VanDerWaalsContact O-N 3.1Å; L88-K90 VanDerWaalsContact C-N 3.28Å; L88-K90 PolarHBondContact O-N 3.26Å |
| 91 | I | 93.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | trans | -134.4 | 98.1 | -171.5 | -54.1 | 179.3 | 0 | 0 | 0 | 109.3 | P58 W64 C87 L88 N93 L96 W97 L281 | P58-I91 WeakPolarHBondContact O-CD1 3.32Å; W64-I91 HydrophobicContact CD2-CD1 4.45Å; W64-I91 HydrophobicContact CG-CD1 3.97Å; W64-I91 VanDerWaalsContact NE1-CD1 3.29Å; C87-I91 HydrophobicContact CB-CD1 3.85Å; C87-I91 WeakPolarHBondContact O-CG1 3.45Å; C87-I91 PolarHBondContact O-N 3.09Å; C87-I91 VanDerWaalsContact O-N 3.11Å; L88-I91 PolarHBondContact O-N 3.43Å; I91-N93 HydrophobicContact CG2-CB 3.86Å; I91-N93 PolarHBondContact O-N 3.12Å; I91-L96 HydrophobicContact CB-CD2 3.98Å; I91-L96 HydrophobicContact CG2-CD2 4.04Å; I91-W97 PolarHBondContact O-NE1 2.96Å; I91-L281 HydrophobicContact CG2-CD1 4.44Å; I91-L281 HydrophobicContact CG2-CD2 4.03Å | ||
| 92 | L | 94.4 | Very high | 94.4 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 9% | 0.089 | 20% | 0.203 | C | C | . | . | trans | -77.7 | 54.3 | 177.2 | -61.2 | -167.1 | 0 | 0 | 0 | 112.2 | W97 K128 M129 F274 E277 Q278 | L92-W97 HydrophobicContact CD2-CZ2 4.26Å; L92-K128 HydrophobicContact CD2-CB 4.12Å; L92-M129 WeakPolarHBondContact CA-SD 3.5Å; L92-M129 HydrophobicContact CB-CE 4.47Å; L92-M129 HydrophobicContact CB-SD 3.58Å; L92-M129 VanDerWaalsContact CB-SD 3.58Å; L92-M129 HydrophobicContact CD2-SD 4.01Å; L92-M129 HydrophobicContact CG-SD 4.3Å; L92-M129 WeakPolarHBondContact O-CE 3.47Å; L92-F274 HydrophobicContact CD1-CD2 4.11Å; L92-F274 HydrophobicContact CD1-CE2 4.22Å; L92-E277 HydrophobicContact CD1-CB 3.8Å; L92-E277 HydrophobicContact CD1-CG 3.98Å; L92-E277 HydrophobicContact CG-CB 4.48Å; L92-Q278 PolarHBondContact O-NE2 2.92Å; L92-Q278 PolarHBondContact O-OE1 3.42Å | ||
| 93 | N | 94.2 | Very high | 94.3 | Very high | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | trans | -96.9 | 118.2 | 178.3 | -178.7 | -90.4 | 0 | 0 | 0 | 111.6 | I91 D95 L96 W97 L281 | I91-N93 HydrophobicContact CG2-CB 3.86Å; I91-N93 PolarHBondContact O-N 3.12Å; N93-D95 PolarHBondContact O-N 3.03Å; N93-D95 PolarHBondContact OD1-N 2.97Å; N93-L96 HydrophobicContact CB-CB 4.1Å; N93-L96 WeakPolarHBondContact O-CB 3.48Å; N93-L96 PolarHBondContact O-N 3.47Å; N93-L96 PolarHBondContact OD1-N 2.86Å; N93-W97 PolarHBondContact O-N 2.68Å; N93-L281 HydrophobicContact CB-CD1 4.28Å | ||
| 94 | I | 94.3 | Very high | 94.2 | Very high | 16 Ų | 16 | 38.5 Ų | 38.5 | 8% | 0.082 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.7 | -34.1 | -173.3 | -170.9 | 59.4 | 0 | 0 | 0 | 114.9 | K98 M129 D132 I138 | I94-K98 WeakPolarHBondContact O-CG 3.5Å; I94-K98 PolarHBondContact O-N 3.35Å; I94-M129 HydrophobicContact CB-CE 4.1Å; I94-M129 HydrophobicContact CD1-CB 4.37Å; I94-M129 HydrophobicContact CD1-CE 4.22Å; I94-D132 HydrophobicContact CD1-CB 4.24Å; I94-I138 HydrophobicContact CD1-CD1 3.57Å |
| 95 | D | 94.6 | Very high | 94.1 | Very high | 56 Ų | 56 | 43.3 Ų | 43.3 | 30% | 0.299 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -79.8 | -30.8 | 179.3 | -68.2 | -22.8 | 0 | 0 | 0 | 113 | K65 N93 W97 K98 I99 | K65-D95 HydrophobicContact CD-CB 3.52Å; K65-D95 IonicContact NZ-OD2 3.76Å; K65-D95 PolarHBondContact NZ-OD2 2.55Å; N93-D95 PolarHBondContact O-N 3.03Å; N93-D95 PolarHBondContact OD1-N 2.97Å; D95-W97 VanDerWaalsContact C-N 3.33Å; D95-K98 PolarHBondContact O-N 2.9Å; D95-I99 WeakPolarHBondContact O-CG1 3.2Å; D95-I99 PolarHBondContact O-N 2.87Å; D95-I99 VanDerWaalsContact O-N 3.11Å |
| 96 | L | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 174.2 | -178.3 | 63.7 | 0 | 0 | 0 | 110.5 | W64 I68 F84 L88 I91 N93 I99 Y100 | W64-L96 HydrophobicContact CB-CD1 4.17Å; I68-L96 HydrophobicContact CD1-CD1 3.66Å; F84-L96 HydrophobicContact CE1-CD1 4.27Å; L88-L96 HydrophobicContact CD1-CG 4.31Å; I91-L96 HydrophobicContact CB-CD2 3.98Å; I91-L96 HydrophobicContact CG2-CD2 4.04Å; N93-L96 HydrophobicContact CB-CB 4.1Å; N93-L96 WeakPolarHBondContact O-CB 3.48Å; N93-L96 PolarHBondContact O-N 3.47Å; N93-L96 PolarHBondContact OD1-N 2.86Å; L96-I99 PolarHBondContact O-N 3.05Å; L96-Y100 PolarHBondContact O-N 3.2Å |
| 97 | W | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.9 | -34 | 177.2 | -75.4 | 84.9 | 0 | 0 | 0 | 113.1 | L88 I91 L92 N93 D95 I99 Y100 L101 F124 T125 K128 M129 | L88-W97 HydrophobicContact CD1-CD2 3.62Å; L88-W97 HydrophobicContact CD1-CE3 3.99Å; L88-W97 HydrophobicContact CD1-CG 3.97Å; L88-W97 HydrophobicContact CD1-CH2 4.45Å; L88-W97 HydrophobicContact CD1-CZ2 4.08Å; L88-W97 HydrophobicContact CD1-CZ3 4.4Å; L88-W97 HydrophobicContact CD2-CE3 4.45Å; L88-W97 HydrophobicContact CD2-CH2 4.33Å; L88-W97 HydrophobicContact CD2-CZ3 4.21Å; L88-W97 HydrophobicContact CG-CD2 4.23Å; L88-W97 HydrophobicContact CG-CE3 4.31Å; L88-W97 HydrophobicContact CG-CH2 4Å; L88-W97 HydrophobicContact CG-CZ2 3.85Å; L88-W97 HydrophobicContact CG-CZ3 4.21Å; L88-W97 WeakPolarHBondContact O-CZ2 3.49Å; L88-W97 PolarHBondContact O-NE1 3.48Å; I91-W97 PolarHBondContact O-NE1 2.96Å; L92-W97 HydrophobicContact CD2-CZ2 4.26Å; N93-W97 PolarHBondContact O-N 2.68Å; D95-W97 VanDerWaalsContact C-N 3.33Å; W97-I99 VanDerWaalsContact C-N 3.32Å; W97-I99 PolarHBondContact O-N 3.25Å; W97-Y100 HydrophobicContact CE3-CD1 4.29Å; W97-Y100 WeakPolarHBondContact O-CB 3.34Å; W97-Y100 PolarHBondContact O-N 2.71Å; W97-L101 PolarHBondContact O-N 2.97Å; W97-L101 VanDerWaalsContact O-N 3.1Å; W97-F124 HydrophobicContact CH2-CD1 4.08Å; W97-F124 AromaticContact CH2-CE1 3.52Å; W97-F124 HydrophobicContact CH2-CE1 3.52Å; W97-F124 AromaticContact CH2-CZ 3.81Å; W97-F124 HydrophobicContact CH2-CZ 3.81Å; W97-F124 AromaticContact CZ3-CD1 3.66Å; W97-F124 HydrophobicContact CZ3-CD1 3.66Å; W97-F124 AromaticContact CZ3-CE1 3.51Å; W97-F124 HydrophobicContact CZ3-CE1 3.51Å; W97-F124 HydrophobicContact CZ3-CG 4.48Å; W97-F124 HydrophobicContact CZ3-CZ 4.25Å; W97-T125 HydrophobicContact CB-CG2 4.03Å; W97-T125 HydrophobicContact CD2-CG2 4.34Å; W97-T125 HydrophobicContact CE3-CG2 3.71Å; W97-K128 HydrophobicContact CH2-CB 3.76Å; W97-K128 HydrophobicContact CH2-CG 3.83Å; W97-K128 HydrophobicContact CZ2-CB 3.8Å; W97-K128 HydrophobicContact CZ2-CG 4.16Å; W97-K128 HydrophobicContact CZ3-CB 4.43Å; W97-M129 HydrophobicContact CB-CG 3.95Å; W97-M129 VanDerWaalsContact CD1-CG 3.45Å; W97-M129 HydrophobicContact CD2-CG 3.71Å; W97-M129 HydrophobicContact CE3-CG 4.49Å; W97-M129 HydrophobicContact CG-CG 3.42Å; W97-M129 VanDerWaalsContact CG-CG 3.42Å; W97-M129 HydrophobicContact CG-SD 4.32Å |
| 98 | K | 95.9 | Very high | 93.5 | Very high | 59 Ų | 59 | 42 Ų | 42 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.2 | -37.3 | 170.3 | -73 | 171.4 | -172.1 | -179.1 | 0 | 112.2 | I94 D95 L101 Q102 N134 S137 I138 | I94-K98 WeakPolarHBondContact O-CG 3.5Å; I94-K98 PolarHBondContact O-N 3.35Å; D95-K98 PolarHBondContact O-N 2.9Å; K98-L101 PolarHBondContact O-N 3.45Å; K98-Q102 PolarHBondContact O-N 2.99Å; K98-Q102 VanDerWaalsContact O-N 3.08Å; K98-N134 PolarHBondContact NZ-O 2.8Å; K98-S137 WeakPolarHBondContact CE-OG 3.5Å; K98-S137 PolarHBondContact NZ-OG 2.86Å; K98-S137 VanDerWaalsContact NZ-OG 3.07Å; K98-I138 HydrophobicContact CG-CD1 4.09Å; K98-I138 HydrophobicContact CG-CG1 4.08Å |
| 99 | I | 95.4 | Very high | 93.3 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.3 | -34.7 | 176.1 | -65.5 | 167.8 | 0 | 0 | 0 | 111.4 | K65 I68 M72 F84 D95 L96 W97 Q102 Y103 | K65-I99 HydrophobicContact CB-CD1 3.98Å; K65-I99 HydrophobicContact CD-CD1 3.82Å; K65-I99 HydrophobicContact CG-CD1 3.49Å; K65-I99 VanDerWaalsContact CG-CD1 3.49Å; I68-I99 HydrophobicContact CG2-CG2 3.89Å; M72-I99 HydrophobicContact SD-CG2 3.61Å; F84-I99 HydrophobicContact CZ-CG2 4.21Å; D95-I99 WeakPolarHBondContact O-CG1 3.2Å; D95-I99 PolarHBondContact O-N 2.87Å; D95-I99 VanDerWaalsContact O-N 3.11Å; L96-I99 PolarHBondContact O-N 3.05Å; W97-I99 VanDerWaalsContact C-N 3.32Å; W97-I99 PolarHBondContact O-N 3.25Å; I99-Q102 PolarHBondContact O-N 2.77Å; I99-Y103 WeakPolarHBondContact O-CB 3.49Å; I99-Y103 PolarHBondContact O-N 3.29Å |
| 100 | Y | 95.9 | Very high | 93 | Very high | 34 Ų | 34 | 50 Ų | 50 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 171.2 | 169.2 | -106.3 | 0 | 0 | 0 | 112.5 | F84 L88 L96 W97 Q102 Y103 I104 A121 F124 | F84-Y100 HydrophobicContact CD1-CD2 4.18Å; F84-Y100 HydrophobicContact CD2-CD2 4.22Å; F84-Y100 HydrophobicContact CE1-CD2 4.35Å; F84-Y100 HydrophobicContact CE2-CD2 4.38Å; F84-Y100 HydrophobicContact CG-CD2 4.12Å; F84-Y100 VanDerWaalsContact CZ-CA 3.42Å; F84-Y100 HydrophobicContact CZ-CD2 4.45Å; L88-Y100 HydrophobicContact CD1-CG 4.31Å; L88-Y100 HydrophobicContact CD2-CD1 4.02Å; L88-Y100 HydrophobicContact CD2-CD2 3.46Å; L88-Y100 VanDerWaalsContact CD2-CD2 3.46Å; L88-Y100 HydrophobicContact CD2-CE1 4.15Å; L88-Y100 HydrophobicContact CD2-CE2 3.59Å; L88-Y100 HydrophobicContact CD2-CG 3.66Å; L96-Y100 PolarHBondContact O-N 3.2Å; W97-Y100 HydrophobicContact CE3-CD1 4.29Å; W97-Y100 WeakPolarHBondContact O-CB 3.34Å; W97-Y100 PolarHBondContact O-N 2.71Å; Y100-Q102 VanDerWaalsContact C-N 3.34Å; Y100-Q102 PolarHBondContact O-N 2.98Å; Y100-Y103 WeakPolarHBondContact O-CB 3.24Å; Y100-Y103 PolarHBondContact O-N 3.38Å; Y100-I104 HydrophobicContact CD1-CD1 4.38Å; Y100-I104 HydrophobicContact CD2-CD1 4.28Å; Y100-I104 HydrophobicContact CE1-CD1 3.75Å; Y100-I104 HydrophobicContact CE2-CD1 3.64Å; Y100-I104 HydrophobicContact CE2-CG1 4.33Å; Y100-I104 PolarHBondContact O-N 3.39Å; Y100-I104 WeakPolarHBondContact OH-CD1 3.32Å; Y100-A121 HydrophobicContact CE1-CB 4.33Å; Y100-F124 HydrophobicContact CE1-CD1 4.23Å |
| 101 | L | 95.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 175.4 | -69.7 | 171.6 | 0 | 0 | 0 | 112.1 | W97 K98 I104 K105 M118 A121 Y122 T125 I138 | W97-L101 PolarHBondContact O-N 2.97Å; W97-L101 VanDerWaalsContact O-N 3.1Å; K98-L101 PolarHBondContact O-N 3.45Å; L101-I104 PolarHBondContact O-N 3.03Å; L101-K105 WeakPolarHBondContact O-CB 3.29Å; L101-K105 PolarHBondContact O-N 3.36Å; L101-M118 HydrophobicContact CB-CE 4.38Å; L101-M118 HydrophobicContact CD2-CE 4.15Å; L101-A121 HydrophobicContact CD2-CB 4.06Å; L101-Y122 HydrophobicContact CD1-CD1 3.92Å; L101-Y122 HydrophobicContact CD1-CE1 3.89Å; L101-Y122 HydrophobicContact CD2-CD1 3.87Å; L101-Y122 HydrophobicContact CD2-CE1 4.15Å; L101-Y122 HydrophobicContact CD2-CG 4.3Å; L101-T125 HydrophobicContact CD1-CG2 3.95Å; L101-T125 HydrophobicContact CG-CG2 4.47Å; L101-I138 HydrophobicContact CD1-CG1 4.45Å; L101-I138 HydrophobicContact CD1-CG2 3.75Å |
| 102 | Q | 94.7 | Very high | 92.4 | Very high | 82 Ų | 82 | 56.3 Ų | 56.3 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 174.6 | -177.2 | 62.5 | 17.4 | 0 | 0 | 112.2 | M72 K98 I99 Y100 I104 K105 E106 | M72-Q102 HydrophobicContact CE-CG 4.37Å; K98-Q102 PolarHBondContact O-N 2.99Å; K98-Q102 VanDerWaalsContact O-N 3.08Å; I99-Q102 PolarHBondContact O-N 2.77Å; Y100-Q102 VanDerWaalsContact C-N 3.34Å; Y100-Q102 PolarHBondContact O-N 2.98Å; Q102-I104 PolarHBondContact O-N 2.87Å; Q102-K105 WeakPolarHBondContact O-CB 3.09Å; Q102-K105 PolarHBondContact O-N 2.95Å; Q102-E106 PolarHBondContact NE2-OE1 3.06Å; Q102-E106 WeakPolarHBondContact O-CG 3.39Å; Q102-E106 PolarHBondContact O-N 3.05Å |
| 103 | Y | 94.6 | Very high | 92.2 | Very high | 9 Ų | 9 | 57 Ų | 57 | 4% | 0.035 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 175.8 | 158.4 | -100.1 | 0 | 0 | 0 | 112.2 | Y77 V80 E81 F84 I99 Y100 E106 T107 | Y77-Y103 HydrophobicContact CD1-CD2 4.17Å; Y77-Y103 HydrophobicContact CD1-CE2 4.08Å; V80-Y103 HydrophobicContact CB-CD2 4.26Å; V80-Y103 HydrophobicContact CB-CE2 4.17Å; V80-Y103 HydrophobicContact CG1-CD2 3.43Å; V80-Y103 VanDerWaalsContact CG1-CD2 3.43Å; V80-Y103 HydrophobicContact CG1-CE2 3.73Å; V80-Y103 HydrophobicContact CG1-CG 3.91Å; E81-Y103 PolarHBondContact OE2-OH 3.23Å; F84-Y103 AromaticContact CD2-CD1 3.99Å; F84-Y103 HydrophobicContact CD2-CD1 3.99Å; F84-Y103 HydrophobicContact CD2-CE1 4.34Å; F84-Y103 HydrophobicContact CD2-CG 4.35Å; F84-Y103 AromaticContact CE2-CD1 3.69Å; F84-Y103 HydrophobicContact CE2-CD1 3.69Å; F84-Y103 HydrophobicContact CE2-CD2 4.41Å; F84-Y103 HydrophobicContact CE2-CE1 4.44Å; F84-Y103 AromaticContact CE2-CG 3.68Å; F84-Y103 HydrophobicContact CE2-CG 3.68Å; I99-Y103 WeakPolarHBondContact O-CB 3.49Å; I99-Y103 PolarHBondContact O-N 3.29Å; Y100-Y103 WeakPolarHBondContact O-CB 3.24Å; Y100-Y103 PolarHBondContact O-N 3.38Å; Y103-E106 PolarHBondContact O-N 3.5Å; Y103-T107 WeakPolarHBondContact CD2-OG1 3.47Å; Y103-T107 HydrophobicContact CE2-CG2 4.26Å; Y103-T107 WeakPolarHBondContact CE2-OG1 3.44Å; Y103-T107 WeakPolarHBondContact O-CB 3.46Å; Y103-T107 PolarHBondContact O-N 2.9Å; Y103-T107 PolarHBondContact O-OG1 2.89Å |
| 104 | I | 93.9 | Very high | 92 | Very high | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 176.6 | -69.5 | -179.9 | 0 | 0 | 0 | 110.7 | Y100 L101 Q102 E106 T107 K108 M118 A121 | Y100-I104 HydrophobicContact CD1-CD1 4.38Å; Y100-I104 HydrophobicContact CD2-CD1 4.28Å; Y100-I104 HydrophobicContact CE1-CD1 3.75Å; Y100-I104 HydrophobicContact CE2-CD1 3.64Å; Y100-I104 HydrophobicContact CE2-CG1 4.33Å; Y100-I104 PolarHBondContact O-N 3.39Å; Y100-I104 WeakPolarHBondContact OH-CD1 3.32Å; L101-I104 PolarHBondContact O-N 3.03Å; Q102-I104 PolarHBondContact O-N 2.87Å; I104-E106 PolarHBondContact O-N 3Å; I104-T107 PolarHBondContact O-N 3.32Å; I104-K108 HydrophobicContact CG2-CB 4.4Å; I104-K108 HydrophobicContact CG2-CG 4.25Å; I104-K108 WeakPolarHBondContact O-CA 3.31Å; I104-K108 WeakPolarHBondContact O-CB 3.45Å; I104-K108 PolarHBondContact O-N 3.2Å; I104-M118 HydrophobicContact CB-SD 4.36Å; I104-M118 HydrophobicContact CG2-SD 3.72Å; I104-A121 HydrophobicContact CD1-CB 3.54Å; I104-A121 HydrophobicContact CG2-CB 4.42Å |
| 105 | K | 92.7 | Very high | 91.8 | Very high | 111 Ų | 111 | 62.2 Ų | 62.2 | 48% | 0.483 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 176.6 | -171.6 | 175.9 | -178.4 | 176.2 | 0 | 112.5 | L101 Q102 G109 M118 | L101-K105 WeakPolarHBondContact O-CB 3.29Å; L101-K105 PolarHBondContact O-N 3.36Å; Q102-K105 WeakPolarHBondContact O-CB 3.09Å; Q102-K105 PolarHBondContact O-N 2.95Å; K105-G109 WeakPolarHBondContact O-CA 3.31Å; K105-G109 PolarHBondContact O-N 3.09Å; K105-M118 HydrophobicContact CB-CE 4.34Å; K105-M118 HydrophobicContact CB-SD 4.33Å |
| 106 | E | 91.3 | Very high | 91.6 | Very high | 92 Ų | 92 | 65.3 Ų | 65.3 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.2 | -44 | 177.1 | -73.3 | 178.1 | -172.2 | 0 | 0 | 112.9 | M72 Q102 Y103 I104 | M72-E106 VanDerWaalsContact CE-OE2 3.32Å; M72-E106 WeakPolarHBondContact CE-OE2 3.44Å; Q102-E106 PolarHBondContact NE2-OE1 3.06Å; Q102-E106 WeakPolarHBondContact O-CG 3.39Å; Q102-E106 PolarHBondContact O-N 3.05Å; Y103-E106 PolarHBondContact O-N 3.5Å; I104-E106 PolarHBondContact O-N 3Å |
| 107 | T | 90.7 | Very high | 91.4 | Very high | 44 Ų | 44 | 69.4 Ų | 69.4 | 27% | 0.27 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -83.9 | -40.2 | -170.1 | -52.3 | 0 | 0 | 0 | 0 | 112.7 | Y103 I104 | Y103-T107 WeakPolarHBondContact CD2-OG1 3.47Å; Y103-T107 HydrophobicContact CE2-CG2 4.26Å; Y103-T107 WeakPolarHBondContact CE2-OG1 3.44Å; Y103-T107 WeakPolarHBondContact O-CB 3.46Å; Y103-T107 PolarHBondContact O-N 2.9Å; Y103-T107 PolarHBondContact O-OG1 2.89Å; I104-T107 PolarHBondContact O-N 3.32Å |
| 108 | K | 88.7 | Confident | 91.3 | Very high | 64 Ų | 64 | 69.5 Ų | 69.5 | 28% | 0.278 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -101.7 | -6.9 | -176 | -48.7 | -59.2 | -177.9 | -172.3 | 0 | 112.9 | I104 K110 H111 F114 | I104-K108 HydrophobicContact CG2-CB 4.4Å; I104-K108 HydrophobicContact CG2-CG 4.25Å; I104-K108 WeakPolarHBondContact O-CA 3.31Å; I104-K108 WeakPolarHBondContact O-CB 3.45Å; I104-K108 PolarHBondContact O-N 3.2Å; K108-K110 PolarHBondContact O-N 2.85Å; K108-H111 VanDerWaalsContact O-CB 3.25Å; K108-H111 WeakPolarHBondContact O-CB 3.43Å; K108-H111 PolarHBondContact O-N 3.01Å; K108-F114 HydrophobicContact CB-CD2 4.23Å; K108-F114 WeakPolarHBondContact O-CB 3.26Å; K108-F114 WeakPolarHBondContact O-CD2 3.48Å |
| 109 | G | 86.8 | Confident | 91.2 | Very high | 35 Ų | 35 | 67.8 Ų | 67.8 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -17.9 | -176 | 0 | 0 | 0 | 0 | 0 | 117.1 | K105 | K105-G109 WeakPolarHBondContact O-CA 3.31Å; K105-G109 PolarHBondContact O-N 3.09Å |
| 110 | K | 86.5 | Confident | 91.2 | Very high | 219 Ų | 219 | 71.2 Ų | 71.2 | 95% | 0.952 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -4.3 | 175.8 | -63 | -177.6 | 179.5 | -178.9 | 0 | 114.2 | K108 | K108-K110 PolarHBondContact O-N 2.85Š|
| 111 | H | 84.8 | Confident | 91.2 | Very high | 94 Ų | 94 | 69.7 Ų | 69.7 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -82.4 | 145 | -174.6 | -162.8 | -95.5 | 0 | 0 | 0 | 111.2 | K108 T113 F114 | K108-H111 VanDerWaalsContact O-CB 3.25Å; K108-H111 WeakPolarHBondContact O-CB 3.43Å; K108-H111 PolarHBondContact O-N 3.01Å; H111-T113 VanDerWaalsContact C-N 3.27Å; H111-T113 PolarHBondContact CE1-OG1 2.89Å; H111-T113 VanDerWaalsContact CE1-OG1 3.25Å; H111-T113 PolarHBondContact ND1-N 2.97Å; H111-T113 PolarHBondContact ND1-OG1 3.27Å; H111-T113 PolarHBondContact O-N 2.94Å; H111-F114 WeakPolarHBondContact O-CB 3.3Å; H111-F114 PolarHBondContact O-N 2.93Å |
| 112 | Q | 85.5 | Confident | 91.3 | Very high | 184 Ų | 184 | 69.7 Ų | 69.7 | 86% | 0.86 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -39.8 | -179.5 | 71.8 | -170.3 | 21.6 | 0 | 0 | 112.7 | F114 | Q112-F114 PolarHBondContact O-N 2.83Š|
| 113 | T | 89.2 | Confident | 91.4 | Very high | 31 Ų | 31 | 68.8 Ų | 68.8 | 19% | 0.19 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 18.3 | 176.2 | 68.4 | 0 | 0 | 0 | 0 | 113.8 | H111 K115 E116 K117 | H111-T113 VanDerWaalsContact C-N 3.27Å; H111-T113 PolarHBondContact CE1-OG1 2.89Å; H111-T113 VanDerWaalsContact CE1-OG1 3.25Å; H111-T113 PolarHBondContact ND1-N 2.97Å; H111-T113 PolarHBondContact ND1-OG1 3.27Å; H111-T113 PolarHBondContact O-N 2.94Å; T113-K115 VanDerWaalsContact C-N 3.25Å; T113-K115 PolarHBondContact O-N 2.88Å; T113-E116 WeakPolarHBondContact CB-OE2 3.48Å; T113-E116 PolarHBondContact O-N 2.85Å; T113-K117 PolarHBondContact O-N 2.76Å; T113-K117 WeakPolarHBondContact OG1-CE 3.16Å |
| 114 | F | 90.9 | Very high | 91.4 | Very high | 40 Ų | 40 | 70.8 Ų | 70.8 | 18% | 0.175 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.4 | -42 | 179.5 | 172.3 | -119.2 | 0 | 0 | 0 | 112.1 | K108 H111 Q112 E116 K117 M118 F145 | K108-F114 HydrophobicContact CB-CD2 4.23Å; K108-F114 WeakPolarHBondContact O-CB 3.26Å; K108-F114 WeakPolarHBondContact O-CD2 3.48Å; H111-F114 WeakPolarHBondContact O-CB 3.3Å; H111-F114 PolarHBondContact O-N 2.93Å; Q112-F114 PolarHBondContact O-N 2.83Å; F114-E116 PolarHBondContact O-N 2.89Å; F114-K117 PolarHBondContact O-N 3.02Å; F114-M118 HydrophobicContact CD2-CB 4.19Å; F114-M118 HydrophobicContact CE2-CB 3.77Å; F114-M118 HydrophobicContact CE2-CG 3.96Å; F114-M118 HydrophobicContact CE2-SD 3.75Å; F114-M118 HydrophobicContact CZ-CB 4.02Å; F114-M118 HydrophobicContact CZ-CG 3.91Å; F114-M118 HydrophobicContact CZ-SD 4.01Å; F114-M118 WeakPolarHBondContact O-CB 3.24Å; F114-M118 PolarHBondContact O-N 2.7Å; F114-F145 HydrophobicContact CE1-CE2 4.14Å; F114-F145 HydrophobicContact CZ-CE2 4.45Å |
| 115 | K | 89.2 | Confident | 91.6 | Very high | 104 Ų | 104 | 70 Ų | 70 | 45% | 0.452 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.6 | -49.9 | -178.1 | -70.4 | 179.5 | 176.8 | 178.6 | 0 | 112 | T113 A119 F145 T149 Q150 | T113-K115 VanDerWaalsContact C-N 3.25Å; T113-K115 PolarHBondContact O-N 2.88Å; K115-A119 WeakPolarHBondContact O-CB 3.37Å; K115-A119 PolarHBondContact O-N 2.78Å; K115-A119 VanDerWaalsContact O-N 3.07Å; K115-F145 WeakPolarHBondContact O-CZ 3.44Å; K115-T149 HydrophobicContact CD-CG2 3.92Å; K115-Q150 PolarHBondContact NZ-O 3.04Å |
| 116 | E | 90.1 | Very high | 91.8 | Very high | 120 Ų | 120 | 65 Ų | 65 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.4 | -50.5 | 180 | -65.1 | 157.1 | 178.7 | 0 | 0 | 111.2 | T113 F114 M118 A119 Q120 | T113-E116 WeakPolarHBondContact CB-OE2 3.48Å; T113-E116 PolarHBondContact O-N 2.85Å; F114-E116 PolarHBondContact O-N 2.89Å; E116-M118 VanDerWaalsContact C-N 3.3Å; E116-M118 PolarHBondContact O-N 2.72Å; E116-A119 PolarHBondContact O-N 2.88Å; E116-Q120 WeakPolarHBondContact O-CG 3.18Å; E116-Q120 PolarHBondContact O-N 3.15Å |
| 117 | K | 91.7 | Very high | 92 | Very high | 87 Ų | 87 | 65.2 Ų | 65.2 | 38% | 0.378 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.4 | -33.7 | -178.6 | -70.2 | -174.8 | 173.8 | -177.2 | 0 | 112.8 | T113 F114 A121 | T113-K117 PolarHBondContact O-N 2.76Å; T113-K117 WeakPolarHBondContact OG1-CE 3.16Å; F114-K117 PolarHBondContact O-N 3.02Å; K117-A121 WeakPolarHBondContact O-CB 3.46Å; K117-A121 PolarHBondContact O-N 3.44Å |
| 118 | M | 94.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -74.7 | -38.7 | 176.7 | -167 | 75.1 | -158.7 | 0 | 0 | 111.7 | L101 I104 K105 F114 E116 A121 Y122 F145 | L101-M118 HydrophobicContact CB-CE 4.38Å; L101-M118 HydrophobicContact CD2-CE 4.15Å; I104-M118 HydrophobicContact CB-SD 4.36Å; I104-M118 HydrophobicContact CG2-SD 3.72Å; K105-M118 HydrophobicContact CB-CE 4.34Å; K105-M118 HydrophobicContact CB-SD 4.33Å; F114-M118 HydrophobicContact CD2-CB 4.19Å; F114-M118 HydrophobicContact CE2-CB 3.77Å; F114-M118 HydrophobicContact CE2-CG 3.96Å; F114-M118 HydrophobicContact CE2-SD 3.75Å; F114-M118 HydrophobicContact CZ-CB 4.02Å; F114-M118 HydrophobicContact CZ-CG 3.91Å; F114-M118 HydrophobicContact CZ-SD 4.01Å; F114-M118 WeakPolarHBondContact O-CB 3.24Å; F114-M118 PolarHBondContact O-N 2.7Å; E116-M118 VanDerWaalsContact C-N 3.3Å; E116-M118 PolarHBondContact O-N 2.72Å; M118-A121 PolarHBondContact O-N 3.16Å; M118-Y122 HydrophobicContact CE-CD2 4.08Å; M118-Y122 HydrophobicContact CE-CE1 4.2Å; M118-Y122 HydrophobicContact CE-CE2 3.39Å; M118-Y122 VanDerWaalsContact CE-CZ 3.45Å; M118-Y122 HydrophobicContact CG-CD2 3.99Å; M118-Y122 HydrophobicContact CG-CE2 3.66Å; M118-Y122 WeakPolarHBondContact O-CD2 3.4Å; M118-Y122 PolarHBondContact O-N 3.35Å; M118-Y122 HydrophobicContact SD-CE2 4.39Å; M118-F145 HydrophobicContact CB-CE1 4.26Å; M118-F145 HydrophobicContact CB-CE2 3.91Å; M118-F145 HydrophobicContact CB-CZ 3.62Å; M118-F145 HydrophobicContact CG-CD2 4.2Å; M118-F145 HydrophobicContact CG-CE1 4.36Å; M118-F145 HydrophobicContact CG-CE2 3.79Å; M118-F145 HydrophobicContact CG-CZ 3.89Å |
| 119 | A | 93.6 | Very high | 92.4 | Very high | 22 Ų | 22 | 64.7 Ų | 64.7 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K115 E116 A121 Y122 D123 Y142 F145 | K115-A119 WeakPolarHBondContact O-CB 3.37Å; K115-A119 PolarHBondContact O-N 2.78Å; K115-A119 VanDerWaalsContact O-N 3.07Å; E116-A119 PolarHBondContact O-N 2.88Å; A119-A121 VanDerWaalsContact C-N 3.29Å; A119-A121 PolarHBondContact O-N 3.22Å; A119-Y122 PolarHBondContact O-N 3.08Å; A119-Y122 VanDerWaalsContact O-N 3.08Å; A119-D123 PolarHBondContact O-N 3.5Å; A119-Y142 HydrophobicContact CB-CE2 4.32Å; A119-F145 HydrophobicContact CB-CE1 4.2Å |
| 120 | Q | 95 | Very high | 92.8 | Very high | 95 Ų | 95 | 63.1 Ų | 63.1 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -54.9 | -42.5 | 174.3 | -71.8 | 169.3 | -9.6 | 0 | 0 | 112.3 | E116 D123 F124 | E116-Q120 WeakPolarHBondContact O-CG 3.18Å; E116-Q120 PolarHBondContact O-N 3.15Å; Q120-D123 PolarHBondContact O-N 3.1Å; Q120-F124 VanDerWaalsContact O-CB 3.24Å; Q120-F124 WeakPolarHBondContact O-CB 3.46Å; Q120-F124 PolarHBondContact O-N 3.41Å |
| 121 | A | 95.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 55 Ų | 55 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y100 L101 I104 K117 M118 A119 T125 | Y100-A121 HydrophobicContact CE1-CB 4.33Å; L101-A121 HydrophobicContact CD2-CB 4.06Å; I104-A121 HydrophobicContact CD1-CB 3.54Å; I104-A121 HydrophobicContact CG2-CB 4.42Å; K117-A121 WeakPolarHBondContact O-CB 3.46Å; K117-A121 PolarHBondContact O-N 3.44Å; M118-A121 PolarHBondContact O-N 3.16Å; A119-A121 VanDerWaalsContact C-N 3.29Å; A119-A121 PolarHBondContact O-N 3.22Å; A121-T125 VanDerWaalsContact O-CB 3.3Å; A121-T125 WeakPolarHBondContact O-CB 3.34Å; A121-T125 PolarHBondContact O-N 3.45Å; A121-T125 PolarHBondContact O-OG1 3.08Å |
| 122 | Y | 97.5 | Very high | 93.7 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.3 | -47.6 | 173.7 | -80.2 | -62.9 | 0 | 0 | 0 | 112 | L101 M118 A119 T125 L126 I138 D141 Y142 F145 | L101-Y122 HydrophobicContact CD1-CD1 3.92Å; L101-Y122 HydrophobicContact CD1-CE1 3.89Å; L101-Y122 HydrophobicContact CD2-CD1 3.87Å; L101-Y122 HydrophobicContact CD2-CE1 4.15Å; L101-Y122 HydrophobicContact CD2-CG 4.3Å; M118-Y122 HydrophobicContact CE-CD2 4.08Å; M118-Y122 HydrophobicContact CE-CE1 4.2Å; M118-Y122 HydrophobicContact CE-CE2 3.39Å; M118-Y122 VanDerWaalsContact CE-CZ 3.45Å; M118-Y122 HydrophobicContact CG-CD2 3.99Å; M118-Y122 HydrophobicContact CG-CE2 3.66Å; M118-Y122 WeakPolarHBondContact O-CD2 3.4Å; M118-Y122 PolarHBondContact O-N 3.35Å; M118-Y122 HydrophobicContact SD-CE2 4.39Å; A119-Y122 PolarHBondContact O-N 3.08Å; A119-Y122 VanDerWaalsContact O-N 3.08Å; Y122-T125 PolarHBondContact O-N 2.86Å; Y122-L126 WeakPolarHBondContact O-CB 3.38Å; Y122-L126 VanDerWaalsContact O-CG 3.31Å; Y122-L126 WeakPolarHBondContact O-CG 3.36Å; Y122-L126 PolarHBondContact O-N 3.31Å; Y122-I138 HydrophobicContact CD1-CG2 4.26Å; Y122-D141 HydrophobicContact CE1-CB 4.03Å; Y122-Y142 VanDerWaalsContact CB-CD2 3.44Å; Y122-Y142 VanDerWaalsContact CB-CG 3.48Å; Y122-Y142 HydrophobicContact CD1-CD2 4.35Å; Y122-Y142 HydrophobicContact CD1-CG 4.11Å; Y122-Y142 AromaticContact CD2-CD2 3.38Å; Y122-Y142 HydrophobicContact CD2-CD2 3.38Å; Y122-Y142 HydrophobicContact CD2-CE2 4.01Å; Y122-Y142 AromaticContact CD2-CG 3.98Å; Y122-Y142 HydrophobicContact CD2-CG 3.98Å; Y122-Y142 HydrophobicContact CE2-CD2 4.17Å; Y122-Y142 HydrophobicContact CG-CD1 4.39Å; Y122-Y142 AromaticContact CG-CD2 3.5Å; Y122-Y142 HydrophobicContact CG-CD2 3.5Å; Y122-Y142 VanDerWaalsContact CG-CD2 3.5Å; Y122-Y142 HydrophobicContact CG-CE2 4.17Å; Y122-Y142 AromaticContact CG-CG 3.63Å; Y122-Y142 HydrophobicContact CG-CG 3.63Å; Y122-F145 HydrophobicContact CD2-CD1 4.06Å; Y122-F145 HydrophobicContact CD2-CG 4.39Å; Y122-F145 HydrophobicContact CE2-CB 3.89Å; Y122-F145 AromaticContact CE2-CD1 3.96Å; Y122-F145 HydrophobicContact CE2-CD1 3.96Å; Y122-F145 HydrophobicContact CE2-CD2 4.4Å; Y122-F145 AromaticContact CE2-CG 3.82Å; Y122-F145 HydrophobicContact CE2-CG 3.82Å |
| 123 | D | 96.5 | Very high | 94.2 | Very high | 62 Ų | 62 | 42.1 Ų | 42.1 | 33% | 0.332 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.7 | -51.9 | 177.2 | -70.9 | -34.9 | 0 | 0 | 0 | 110.5 | A119 Q120 T125 L126 D127 Y142 | A119-D123 PolarHBondContact O-N 3.5Å; Q120-D123 PolarHBondContact O-N 3.1Å; D123-T125 VanDerWaalsContact C-N 3.3Å; D123-T125 PolarHBondContact O-N 2.88Å; D123-L126 PolarHBondContact O-N 3.45Å; D123-D127 VanDerWaalsContact O-CG 3.24Å; D123-D127 PolarHBondContact O-N 3.38Å; D123-Y142 WeakPolarHBondContact OD1-CE1 3.39Å; D123-Y142 VanDerWaalsContact OD1-CZ 3.3Å; D123-Y142 PolarHBondContact OD1-OH 2.82Å; D123-Y142 PolarHBondContact OD2-OH 3.14Å; D123-Y142 VanDerWaalsContact OD2-OH 3.06Å |
| 124 | F | 95.8 | Very high | 94.5 | Very high | 51 Ų | 51 | 43.7 Ų | 43.7 | 22% | 0.224 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.6 | -40.6 | 176.1 | 177.3 | -117.3 | 0 | 0 | 0 | 113 | L88 V89 W97 Y100 Q120 K128 | L88-F124 HydrophobicContact CD2-CE1 4.35Å; V89-F124 HydrophobicContact CG2-CZ 4.3Å; W97-F124 HydrophobicContact CH2-CD1 4.08Å; W97-F124 AromaticContact CH2-CE1 3.52Å; W97-F124 HydrophobicContact CH2-CE1 3.52Å; W97-F124 AromaticContact CH2-CZ 3.81Å; W97-F124 HydrophobicContact CH2-CZ 3.81Å; W97-F124 AromaticContact CZ3-CD1 3.66Å; W97-F124 HydrophobicContact CZ3-CD1 3.66Å; W97-F124 AromaticContact CZ3-CE1 3.51Å; W97-F124 HydrophobicContact CZ3-CE1 3.51Å; W97-F124 HydrophobicContact CZ3-CG 4.48Å; W97-F124 HydrophobicContact CZ3-CZ 4.25Å; Y100-F124 HydrophobicContact CE1-CD1 4.23Å; Q120-F124 VanDerWaalsContact O-CB 3.24Å; Q120-F124 WeakPolarHBondContact O-CB 3.46Å; Q120-F124 PolarHBondContact O-N 3.41Å; F124-K128 PolarHBondContact O-N 3.42Å |
| 125 | T | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.7 | -39.4 | 176.4 | -59 | 0 | 0 | 0 | 0 | 111.8 | W97 L101 A121 Y122 D123 K128 M129 I138 | W97-T125 HydrophobicContact CB-CG2 4.03Å; W97-T125 HydrophobicContact CD2-CG2 4.34Å; W97-T125 HydrophobicContact CE3-CG2 3.71Å; L101-T125 HydrophobicContact CD1-CG2 3.95Å; L101-T125 HydrophobicContact CG-CG2 4.47Å; A121-T125 VanDerWaalsContact O-CB 3.3Å; A121-T125 WeakPolarHBondContact O-CB 3.34Å; A121-T125 PolarHBondContact O-N 3.45Å; A121-T125 PolarHBondContact O-OG1 3.08Å; Y122-T125 PolarHBondContact O-N 2.86Å; D123-T125 VanDerWaalsContact C-N 3.3Å; D123-T125 PolarHBondContact O-N 2.88Å; T125-K128 PolarHBondContact O-N 2.94Å; T125-M129 HydrophobicContact CG2-CB 4.45Å; T125-M129 WeakPolarHBondContact O-CA 3.35Å; T125-M129 WeakPolarHBondContact O-CB 3.25Å; T125-M129 PolarHBondContact O-N 3.27Å; T125-I138 HydrophobicContact CG2-CD1 3.85Å; T125-I138 HydrophobicContact CG2-CG2 4.06Å |
| 126 | L | 96.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -75.7 | -24.8 | -179.9 | -69.4 | 172.8 | 0 | 0 | 0 | 112.8 | Y122 D123 G130 I138 W139 Y142 R170 | Y122-L126 WeakPolarHBondContact O-CB 3.38Å; Y122-L126 VanDerWaalsContact O-CG 3.31Å; Y122-L126 WeakPolarHBondContact O-CG 3.36Å; Y122-L126 PolarHBondContact O-N 3.31Å; D123-L126 PolarHBondContact O-N 3.45Å; L126-G130 WeakPolarHBondContact O-CA 3.15Å; L126-G130 PolarHBondContact O-N 3.3Å; L126-I138 HydrophobicContact CD2-CB 4.14Å; L126-I138 HydrophobicContact CD2-CG2 3.65Å; L126-I138 HydrophobicContact CG-CG2 4.06Å; L126-W139 HydrophobicContact CB-CH2 4.38Å; L126-W139 HydrophobicContact CD1-CD2 4.14Å; L126-W139 HydrophobicContact CD1-CE3 3.68Å; L126-W139 HydrophobicContact CD1-CH2 4.26Å; L126-W139 HydrophobicContact CD1-CZ3 3.76Å; L126-W139 HydrophobicContact CD2-CD2 3.64Å; L126-W139 HydrophobicContact CD2-CE3 4.07Å; L126-W139 HydrophobicContact CD2-CG 4.03Å; L126-W139 HydrophobicContact CD2-CH2 4.31Å; L126-W139 HydrophobicContact CD2-CZ2 3.94Å; L126-W139 HydrophobicContact CD2-CZ3 4.39Å; L126-W139 HydrophobicContact CG-CE3 4.46Å; L126-Y142 HydrophobicContact CD1-CD1 3.54Å; L126-Y142 HydrophobicContact CD1-CE1 4.18Å; L126-Y142 HydrophobicContact CD1-CG 4.46Å; L126-R170 PolarHBondContact O-NH2 3.36Å |
| 127 | D | 95.3 | Very high | 95.4 | Very high | 96 Ų | 96 | 36.5 Ų | 36.5 | 51% | 0.513 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.9 | -34.6 | 171.4 | -67.9 | -16.3 | 0 | 0 | 0 | 112.7 | D123 R170 | D123-D127 VanDerWaalsContact O-CG 3.24Å; D123-D127 PolarHBondContact O-N 3.38Å; D127-R170 IonicContact OD1-CZ 3.44Å; D127-R170 IonicContact OD1-NH1 3.31Å; D127-R170 PolarHBondContact OD1-NH1 3.3Å; D127-R170 IonicContact OD1-NH2 2.71Å; D127-R170 PolarHBondContact OD1-NH2 2.95Å |
| 128 | K | 94.5 | Very high | 95.7 | Very high | 97 Ų | 97 | 32.4 Ų | 32.4 | 42% | 0.422 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -95.8 | -33.1 | 179.2 | -63.3 | -63.5 | -174.2 | 179.7 | 0 | 114.4 | L92 W97 F124 T125 | L92-K128 HydrophobicContact CD2-CB 4.12Å; W97-K128 HydrophobicContact CH2-CB 3.76Å; W97-K128 HydrophobicContact CH2-CG 3.83Å; W97-K128 HydrophobicContact CZ2-CB 3.8Å; W97-K128 HydrophobicContact CZ2-CG 4.16Å; W97-K128 HydrophobicContact CZ3-CB 4.43Å; F124-K128 PolarHBondContact O-N 3.42Å; T125-K128 PolarHBondContact O-N 2.94Å |
| 129 | M | 95.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -120.5 | -2.2 | -173.8 | -65.2 | -55.5 | -46.1 | 0 | 0 | 115.1 | L92 I94 W97 T125 L131 D132 F274 | L92-M129 WeakPolarHBondContact CA-SD 3.5Å; L92-M129 HydrophobicContact CB-CE 4.47Å; L92-M129 HydrophobicContact CB-SD 3.58Å; L92-M129 VanDerWaalsContact CB-SD 3.58Å; L92-M129 HydrophobicContact CD2-SD 4.01Å; L92-M129 HydrophobicContact CG-SD 4.3Å; L92-M129 WeakPolarHBondContact O-CE 3.47Å; I94-M129 HydrophobicContact CB-CE 4.1Å; I94-M129 HydrophobicContact CD1-CB 4.37Å; I94-M129 HydrophobicContact CD1-CE 4.22Å; W97-M129 HydrophobicContact CB-CG 3.95Å; W97-M129 VanDerWaalsContact CD1-CG 3.45Å; W97-M129 HydrophobicContact CD2-CG 3.71Å; W97-M129 HydrophobicContact CE3-CG 4.49Å; W97-M129 HydrophobicContact CG-CG 3.42Å; W97-M129 VanDerWaalsContact CG-CG 3.42Å; W97-M129 HydrophobicContact CG-SD 4.32Å; T125-M129 HydrophobicContact CG2-CB 4.45Å; T125-M129 WeakPolarHBondContact O-CA 3.35Å; T125-M129 WeakPolarHBondContact O-CB 3.25Å; T125-M129 PolarHBondContact O-N 3.27Å; M129-L131 PolarHBondContact O-N 3.1Å; M129-L131 VanDerWaalsContact O-N 3.16Å; M129-D132 HydrophobicContact CE-CB 3.95Å; M129-D132 WeakPolarHBondContact O-CB 3.48Å; M129-D132 PolarHBondContact O-N 3.46Å; M129-D132 VanDerWaalsContact O-N 3.08Å; M129-F274 HydrophobicContact CE-CE2 4.14Å; M129-F274 HydrophobicContact CE-CZ 4.07Å; M129-F274 HydrophobicContact SD-CE2 4.39Å |
| 130 | G | 94.3 | Very high | 96 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L126 D132 S135 W139 T174 | L126-G130 WeakPolarHBondContact O-CA 3.15Å; L126-G130 PolarHBondContact O-N 3.3Å; G130-D132 VanDerWaalsContact C-N 3.35Å; G130-S135 PolarHBondContact O-OG 2.96Å; G130-W139 PolarHBondContact O-NE1 3.26Å; G130-T174 VanDerWaalsContact O-CG2 3.28Å; G130-T174 WeakPolarHBondContact O-CG2 3.15Å |
| 131 | L | 95.2 | Very high | 96.1 | Very high | 50 Ų | 50 | 32.4 Ų | 32.4 | 26% | 0.262 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -8.3 | 176.5 | -61.2 | 179.4 | 0 | 0 | 0 | 114.2 | M129 T174 R271 F274 | M129-L131 PolarHBondContact O-N 3.1Å; M129-L131 VanDerWaalsContact O-N 3.16Å; L131-T174 HydrophobicContact CD2-CG2 4.17Å; L131-R271 HydrophobicContact CD1-CG 4.39Å; L131-F274 HydrophobicContact CB-CD1 3.94Å; L131-F274 HydrophobicContact CB-CD2 4.26Å; L131-F274 HydrophobicContact CB-CE1 4.21Å; L131-F274 HydrophobicContact CB-CG 3.98Å; L131-F274 HydrophobicContact CB-CZ 4.5Å; L131-F274 HydrophobicContact CD1-CB 4.02Å; L131-F274 HydrophobicContact CD1-CG 4.27Å |
| 132 | D | 95.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -67.5 | 139.3 | 178.1 | -174.9 | -107.7 | 0 | 0 | 0 | 111.5 | I94 M129 G130 N134 S135 R228 F274 | I94-D132 HydrophobicContact CD1-CB 4.24Å; M129-D132 HydrophobicContact CE-CB 3.95Å; M129-D132 WeakPolarHBondContact O-CB 3.48Å; M129-D132 PolarHBondContact O-N 3.46Å; M129-D132 VanDerWaalsContact O-N 3.08Å; G130-D132 VanDerWaalsContact C-N 3.35Å; D132-N134 PolarHBondContact O-N 2.82Å; D132-N134 VanDerWaalsContact O-N 3.11Å; D132-N134 VanDerWaalsContact OD1-CA 3.28Å; D132-N134 WeakPolarHBondContact OD1-CA 3.47Å; D132-N134 VanDerWaalsContact OD1-CB 3.24Å; D132-N134 WeakPolarHBondContact OD1-CB 3.49Å; D132-N134 PolarHBondContact OD1-N 3.26Å; D132-S135 WeakPolarHBondContact O-CB 3.36Å; D132-S135 PolarHBondContact O-N 3.27Å; D132-S135 PolarHBondContact O-OG 3.14Å; D132-R228 IonicContact OD2-NH1 2.71Å; D132-F274 HydrophobicContact CB-CE1 4.32Å; D132-F274 HydrophobicContact CB-CZ 3.83Å |
| 133 | L | 94.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -31.4 | 177.7 | -176.6 | 68 | 0 | 0 | 0 | 112.6 | L177 Y219 R228 | L133-L177 HydrophobicContact CD1-CD2 4.33Å; L133-L177 HydrophobicContact CD1-CG 3.86Å; L133-L177 HydrophobicContact CD2-CD1 4.2Å; L133-L177 HydrophobicContact CD2-CG 4.31Å; L133-L177 HydrophobicContact CG-CD1 4Å; L133-L177 HydrophobicContact CG-CG 3.78Å; L133-L177 PolarHBondContact O-N 3.49Å; L133-Y219 HydrophobicContact CB-CD1 4.15Å; L133-Y219 HydrophobicContact CB-CE1 3.69Å; L133-Y219 HydrophobicContact CD1-CD1 3.52Å; L133-Y219 HydrophobicContact CD1-CE1 3.98Å; L133-Y219 HydrophobicContact CD1-CG 3.92Å; L133-Y219 HydrophobicContact CG-CD1 4.37Å; L133-Y219 HydrophobicContact CG-CE1 4.41Å; L133-R228 VanDerWaalsContact CD2-NH2 3.28Å |
| 134 | N | 94.9 | Very high | 96.1 | Very high | 64 Ų | 64 | 33.1 Ų | 33.1 | 34% | 0.342 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 18.1 | -177 | -51.9 | -23.8 | 0 | 0 | 0 | 112.7 | K98 D132 Y136 | K98-N134 PolarHBondContact NZ-O 2.8Å; D132-N134 PolarHBondContact O-N 2.82Å; D132-N134 VanDerWaalsContact O-N 3.11Å; D132-N134 VanDerWaalsContact OD1-CA 3.28Å; D132-N134 WeakPolarHBondContact OD1-CA 3.47Å; D132-N134 VanDerWaalsContact OD1-CB 3.24Å; D132-N134 WeakPolarHBondContact OD1-CB 3.49Å; D132-N134 PolarHBondContact OD1-N 3.26Å; N134-Y136 VanDerWaalsContact C-N 3.31Å; N134-Y136 PolarHBondContact O-N 3.25Å |
| 135 | S | 96.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -18.1 | -179.5 | 62.8 | 0 | 0 | 0 | 0 | 114.7 | G130 D132 S137 I138 W139 | G130-S135 PolarHBondContact O-OG 2.96Å; D132-S135 WeakPolarHBondContact O-CB 3.36Å; D132-S135 PolarHBondContact O-N 3.27Å; D132-S135 PolarHBondContact O-OG 3.14Å; S135-S137 VanDerWaalsContact C-N 3.26Å; S135-S137 PolarHBondContact O-N 3.14Å; S135-I138 WeakPolarHBondContact O-CB 3.45Å; S135-I138 PolarHBondContact O-N 2.74Å; S135-W139 PolarHBondContact O-N 2.9Å; S135-W139 PolarHBondContact OG-NE1 3.31Å |
| 136 | Y | 97.1 | Very high | 96 | Very high | 73 Ų | 73 | 33 Ų | 33 | 29% | 0.286 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -42.5 | -43.4 | -175.2 | 165.9 | -92.1 | 0 | 0 | 0 | 115.7 | N134 I138 W139 A140 L177 G178 T181 I182 | N134-Y136 VanDerWaalsContact C-N 3.31Å; N134-Y136 PolarHBondContact O-N 3.25Å; Y136-I138 VanDerWaalsContact C-N 3.25Å; Y136-I138 PolarHBondContact O-N 3.15Å; Y136-W139 PolarHBondContact O-N 3.31Å; Y136-A140 HydrophobicContact CE1-CB 4.38Å; Y136-A140 WeakPolarHBondContact O-CB 3.2Å; Y136-A140 PolarHBondContact O-N 3.47Å; Y136-L177 WeakPolarHBondContact CB-O 3.24Å; Y136-G178 WeakPolarHBondContact CE2-O 3.28Å; Y136-T181 HydrophobicContact CE2-CG2 4.31Å; Y136-T181 WeakPolarHBondContact OH-CG2 3.48Å; Y136-I182 HydrophobicContact CD2-CD1 3.81Å; Y136-I182 HydrophobicContact CD2-CG1 3.73Å; Y136-I182 HydrophobicContact CE2-CD1 4.24Å; Y136-I182 HydrophobicContact CE2-CG1 3.66Å |
| 137 | S | 96.5 | Very high | 95.8 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.7 | -31.6 | -178.3 | 70.9 | 0 | 0 | 0 | 0 | 112.3 | K98 S135 D141 | K98-S137 WeakPolarHBondContact CE-OG 3.5Å; K98-S137 PolarHBondContact NZ-OG 2.86Å; K98-S137 VanDerWaalsContact NZ-OG 3.07Å; S135-S137 VanDerWaalsContact C-N 3.26Å; S135-S137 PolarHBondContact O-N 3.14Å; S137-D141 VanDerWaalsContact O-CB 3.25Å; S137-D141 WeakPolarHBondContact O-CB 3.5Å; S137-D141 PolarHBondContact O-N 3.03Å |
| 138 | I | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.1 | -43.9 | 177.3 | -54.5 | -179 | 0 | 0 | 0 | 110.1 | I94 K98 L101 Y122 T125 L126 S135 Y136 D141 Y142 | I94-I138 HydrophobicContact CD1-CD1 3.57Å; K98-I138 HydrophobicContact CG-CD1 4.09Å; K98-I138 HydrophobicContact CG-CG1 4.08Å; L101-I138 HydrophobicContact CD1-CG1 4.45Å; L101-I138 HydrophobicContact CD1-CG2 3.75Å; Y122-I138 HydrophobicContact CD1-CG2 4.26Å; T125-I138 HydrophobicContact CG2-CD1 3.85Å; T125-I138 HydrophobicContact CG2-CG2 4.06Å; L126-I138 HydrophobicContact CD2-CB 4.14Å; L126-I138 HydrophobicContact CD2-CG2 3.65Å; L126-I138 HydrophobicContact CG-CG2 4.06Å; S135-I138 WeakPolarHBondContact O-CB 3.45Å; S135-I138 PolarHBondContact O-N 2.74Å; Y136-I138 VanDerWaalsContact C-N 3.25Å; Y136-I138 PolarHBondContact O-N 3.15Å; I138-D141 PolarHBondContact O-N 3.44Å; I138-Y142 WeakPolarHBondContact O-CB 3.36Å; I138-Y142 PolarHBondContact O-N 3.01Å |
| 139 | W | 97.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.9 | -49.5 | 173.2 | -67.8 | 105.1 | 0 | 0 | 0 | 111.6 | L126 G130 S135 Y136 Y142 I143 V167 R170 A171 M176 I182 | L126-W139 HydrophobicContact CB-CH2 4.38Å; L126-W139 HydrophobicContact CD1-CD2 4.14Å; L126-W139 HydrophobicContact CD1-CE3 3.68Å; L126-W139 HydrophobicContact CD1-CH2 4.26Å; L126-W139 HydrophobicContact CD1-CZ3 3.76Å; L126-W139 HydrophobicContact CD2-CD2 3.64Å; L126-W139 HydrophobicContact CD2-CE3 4.07Å; L126-W139 HydrophobicContact CD2-CG 4.03Å; L126-W139 HydrophobicContact CD2-CH2 4.31Å; L126-W139 HydrophobicContact CD2-CZ2 3.94Å; L126-W139 HydrophobicContact CD2-CZ3 4.39Å; L126-W139 HydrophobicContact CG-CE3 4.46Å; G130-W139 PolarHBondContact O-NE1 3.26Å; S135-W139 PolarHBondContact O-N 2.9Å; S135-W139 PolarHBondContact OG-NE1 3.31Å; Y136-W139 PolarHBondContact O-N 3.31Å; W139-Y142 PolarHBondContact O-N 2.74Å; W139-I143 WeakPolarHBondContact O-CB 3.36Å; W139-I143 WeakPolarHBondContact O-CD1 3.34Å; W139-I143 VanDerWaalsContact O-CG1 3.23Å; W139-I143 WeakPolarHBondContact O-CG1 3.48Å; W139-I143 PolarHBondContact O-N 3.02Å; W139-V167 HydrophobicContact CE3-CG1 3.94Å; W139-V167 HydrophobicContact CZ3-CG1 4.13Å; W139-R170 HydrophobicContact CH2-CB 4.17Å; W139-R170 HydrophobicContact CH2-CG 3.72Å; W139-R170 HydrophobicContact CZ3-CB 4.17Å; W139-R170 HydrophobicContact CZ3-CG 4.19Å; W139-A171 HydrophobicContact CD2-CB 3.79Å; W139-A171 HydrophobicContact CE3-CB 3.53Å; W139-A171 HydrophobicContact CG-CB 4.29Å; W139-A171 HydrophobicContact CZ3-CB 3.93Å; W139-M176 HydrophobicContact CD2-CE 4.28Å; W139-M176 HydrophobicContact CG-CE 4.04Å; W139-M176 HydrophobicContact CG-SD 4.22Å; W139-I182 HydrophobicContact CB-CD1 3.89Å; W139-I182 HydrophobicContact CG-CD1 4.36Å |
| 140 | A | 97 | Very high | 95.2 | Very high | 32 Ų | 32 | 42.1 Ų | 42.1 | 26% | 0.264 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y136 S144 | Y136-A140 HydrophobicContact CE1-CB 4.38Å; Y136-A140 WeakPolarHBondContact O-CB 3.2Å; Y136-A140 PolarHBondContact O-N 3.47Å; A140-S144 VanDerWaalsContact O-CB 3.26Å; A140-S144 WeakPolarHBondContact O-CB 3.45Å; A140-S144 PolarHBondContact O-N 2.97Å |
| 141 | D | 96.4 | Very high | 94.9 | Very high | 86 Ų | 86 | 44.5 Ų | 44.5 | 46% | 0.46 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 176.5 | -77.3 | -22.7 | 0 | 0 | 0 | 111.7 | Y122 S137 I138 S144 F145 | Y122-D141 HydrophobicContact CE1-CB 4.03Å; S137-D141 VanDerWaalsContact O-CB 3.25Å; S137-D141 WeakPolarHBondContact O-CB 3.5Å; S137-D141 PolarHBondContact O-N 3.03Å; I138-D141 PolarHBondContact O-N 3.44Å; D141-S144 PolarHBondContact O-N 3.43Å; D141-F145 VanDerWaalsContact O-CB 3.31Å; D141-F145 WeakPolarHBondContact O-CB 3.36Å; D141-F145 PolarHBondContact O-N 3.25Å |
| 142 | Y | 97.4 | Very high | 94.6 | Very high | 10 Ų | 10 | 51 Ų | 51 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 178.2 | -173.7 | -157.6 | 0 | 0 | 0 | 112.2 | A119 Y122 D123 L126 I138 W139 S144 F145 L146 V167 | A119-Y142 HydrophobicContact CB-CE2 4.32Å; Y122-Y142 VanDerWaalsContact CB-CD2 3.44Å; Y122-Y142 VanDerWaalsContact CB-CG 3.48Å; Y122-Y142 HydrophobicContact CD1-CD2 4.35Å; Y122-Y142 HydrophobicContact CD1-CG 4.11Å; Y122-Y142 AromaticContact CD2-CD2 3.38Å; Y122-Y142 HydrophobicContact CD2-CD2 3.38Å; Y122-Y142 HydrophobicContact CD2-CE2 4.01Å; Y122-Y142 AromaticContact CD2-CG 3.98Å; Y122-Y142 HydrophobicContact CD2-CG 3.98Å; Y122-Y142 HydrophobicContact CE2-CD2 4.17Å; Y122-Y142 HydrophobicContact CG-CD1 4.39Å; Y122-Y142 AromaticContact CG-CD2 3.5Å; Y122-Y142 HydrophobicContact CG-CD2 3.5Å; Y122-Y142 VanDerWaalsContact CG-CD2 3.5Å; Y122-Y142 HydrophobicContact CG-CE2 4.17Å; Y122-Y142 AromaticContact CG-CG 3.63Å; Y122-Y142 HydrophobicContact CG-CG 3.63Å; D123-Y142 WeakPolarHBondContact OD1-CE1 3.39Å; D123-Y142 VanDerWaalsContact OD1-CZ 3.3Å; D123-Y142 PolarHBondContact OD1-OH 2.82Å; D123-Y142 PolarHBondContact OD2-OH 3.14Å; D123-Y142 VanDerWaalsContact OD2-OH 3.06Å; L126-Y142 HydrophobicContact CD1-CD1 3.54Å; L126-Y142 HydrophobicContact CD1-CE1 4.18Å; L126-Y142 HydrophobicContact CD1-CG 4.46Å; I138-Y142 WeakPolarHBondContact O-CB 3.36Å; I138-Y142 PolarHBondContact O-N 3.01Å; W139-Y142 PolarHBondContact O-N 2.74Å; Y142-S144 VanDerWaalsContact C-N 3.3Å; Y142-S144 PolarHBondContact O-N 2.85Å; Y142-F145 HydrophobicContact CD2-CD1 4.05Å; Y142-F145 HydrophobicContact CE2-CD1 4.24Å; Y142-F145 WeakPolarHBondContact O-CB 3.24Å; Y142-F145 PolarHBondContact O-N 3.38Å; Y142-L146 HydrophobicContact CD2-CD1 4.15Å; Y142-L146 HydrophobicContact CD2-CD2 4.48Å; Y142-L146 HydrophobicContact CD2-CG 3.91Å; Y142-L146 HydrophobicContact CE1-CD1 4.44Å; Y142-L146 HydrophobicContact CE2-CD1 3.78Å; Y142-L146 HydrophobicContact CE2-CD2 3.8Å; Y142-L146 HydrophobicContact CE2-CG 3.65Å; Y142-L146 PolarHBondContact O-N 2.87Å; Y142-V167 HydrophobicContact CD1-CB 4.39Å; Y142-V167 HydrophobicContact CD1-CG1 3.65Å; Y142-V167 HydrophobicContact CD1-CG2 3.76Å; Y142-V167 HydrophobicContact CE1-CB 4.46Å; Y142-V167 HydrophobicContact CE1-CG1 4.16Å; Y142-V167 HydrophobicContact CE1-CG2 3.4Å; Y142-V167 HydrophobicContact CG-CG1 4.41Å |
| 143 | I | 96.9 | Very high | 94.4 | Very high | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 174.9 | -71.7 | 163.8 | 0 | 0 | 0 | 110.4 | W139 L146 R147 V167 Y168 I182 | W139-I143 WeakPolarHBondContact O-CB 3.36Å; W139-I143 WeakPolarHBondContact O-CD1 3.34Å; W139-I143 VanDerWaalsContact O-CG1 3.23Å; W139-I143 WeakPolarHBondContact O-CG1 3.48Å; W139-I143 PolarHBondContact O-N 3.02Å; I143-L146 PolarHBondContact O-N 3.16Å; I143-R147 WeakPolarHBondContact O-CB 3.32Å; I143-R147 VanDerWaalsContact O-CG 3.26Å; I143-R147 WeakPolarHBondContact O-CG 3.49Å; I143-R147 PolarHBondContact O-N 3.01Å; I143-V167 HydrophobicContact CD1-CG1 4.27Å; I143-V167 HydrophobicContact CG1-CB 4.38Å; I143-V167 HydrophobicContact CG1-CG1 3.68Å; I143-Y168 HydrophobicContact CD1-CD1 3.75Å; I143-Y168 HydrophobicContact CD1-CE1 3.82Å; I143-Y168 HydrophobicContact CD1-CG 4.26Å; I143-Y168 HydrophobicContact CG2-CD2 4.47Å; I143-Y168 HydrophobicContact CG2-CE1 3.92Å; I143-Y168 HydrophobicContact CG2-CE2 3.71Å; I143-Y168 WeakPolarHBondContact CG2-OH 3.22Å; I143-I182 HydrophobicContact CD1-CG2 4.45Å |
| 144 | S | 96.2 | Very high | 94.3 | Very high | 71 Ų | 71 | 58.6 Ų | 58.6 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 175.9 | -173.6 | 0 | 0 | 0 | 0 | 112 | A140 D141 Y142 R147 S148 | A140-S144 VanDerWaalsContact O-CB 3.26Å; A140-S144 WeakPolarHBondContact O-CB 3.45Å; A140-S144 PolarHBondContact O-N 2.97Å; D141-S144 PolarHBondContact O-N 3.43Å; Y142-S144 VanDerWaalsContact C-N 3.3Å; Y142-S144 PolarHBondContact O-N 2.85Å; S144-R147 PolarHBondContact O-N 2.86Å; S144-S148 VanDerWaalsContact O-CB 3.29Å; S144-S148 WeakPolarHBondContact O-CB 3.28Å; S144-S148 PolarHBondContact O-N 3.02Å; S144-S148 PolarHBondContact O-OG 3.26Å |
| 145 | F | 95.2 | Very high | 94.3 | Very high | 29 Ų | 29 | 64 Ų | 64 | 13% | 0.127 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63 | -45.7 | 175.8 | 170.2 | -97.6 | 0 | 0 | 0 | 112.8 | F114 K115 M118 A119 Y122 D141 Y142 S148 T149 | F114-F145 HydrophobicContact CE1-CE2 4.14Å; F114-F145 HydrophobicContact CZ-CE2 4.45Å; K115-F145 WeakPolarHBondContact O-CZ 3.44Å; M118-F145 HydrophobicContact CB-CE1 4.26Å; M118-F145 HydrophobicContact CB-CE2 3.91Å; M118-F145 HydrophobicContact CB-CZ 3.62Å; M118-F145 HydrophobicContact CG-CD2 4.2Å; M118-F145 HydrophobicContact CG-CE1 4.36Å; M118-F145 HydrophobicContact CG-CE2 3.79Å; M118-F145 HydrophobicContact CG-CZ 3.89Å; A119-F145 HydrophobicContact CB-CE1 4.2Å; Y122-F145 HydrophobicContact CD2-CD1 4.06Å; Y122-F145 HydrophobicContact CD2-CG 4.39Å; Y122-F145 HydrophobicContact CE2-CB 3.89Å; Y122-F145 AromaticContact CE2-CD1 3.96Å; Y122-F145 HydrophobicContact CE2-CD1 3.96Å; Y122-F145 HydrophobicContact CE2-CD2 4.4Å; Y122-F145 AromaticContact CE2-CG 3.82Å; Y122-F145 HydrophobicContact CE2-CG 3.82Å; D141-F145 VanDerWaalsContact O-CB 3.31Å; D141-F145 WeakPolarHBondContact O-CB 3.36Å; D141-F145 PolarHBondContact O-N 3.25Å; Y142-F145 HydrophobicContact CD2-CD1 4.05Å; Y142-F145 HydrophobicContact CE2-CD1 4.24Å; Y142-F145 WeakPolarHBondContact O-CB 3.24Å; Y142-F145 PolarHBondContact O-N 3.38Å; F145-S148 PolarHBondContact O-OG 3.03Å; F145-T149 PolarHBondContact O-N 3.44Å; F145-T149 VanDerWaalsContact O-N 3.12Å; F145-T149 PolarHBondContact O-OG1 3.36Å |
| 146 | L | 94.9 | Very high | 94.1 | Very high | 20 Ų | 20 | 65.2 Ų | 65.2 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.6 | -43 | 175.6 | -69 | 178.5 | 0 | 0 | 0 | 111.8 | Y142 I143 T149 K160 V167 | Y142-L146 HydrophobicContact CD2-CD1 4.15Å; Y142-L146 HydrophobicContact CD2-CD2 4.48Å; Y142-L146 HydrophobicContact CD2-CG 3.91Å; Y142-L146 HydrophobicContact CE1-CD1 4.44Å; Y142-L146 HydrophobicContact CE2-CD1 3.78Å; Y142-L146 HydrophobicContact CE2-CD2 3.8Å; Y142-L146 HydrophobicContact CE2-CG 3.65Å; Y142-L146 PolarHBondContact O-N 2.87Å; I143-L146 PolarHBondContact O-N 3.16Å; L146-T149 WeakPolarHBondContact O-CB 3.41Å; L146-T149 PolarHBondContact O-N 2.75Å; L146-K160 WeakPolarHBondContact O-CE 3.27Å; L146-V167 HydrophobicContact CD1-CB 4.35Å; L146-V167 HydrophobicContact CD1-CG2 3.63Å |
| 147 | R | 94 | Very high | 93.9 | Very high | 118 Ų | 118 | 65 Ų | 65 | 45% | 0.445 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 178.9 | -72.8 | 177 | 64.4 | -169.1 | -2.7 | 113.3 | I143 S144 T149 K160 T164 Y168 Y189 | I143-R147 WeakPolarHBondContact O-CB 3.32Å; I143-R147 VanDerWaalsContact O-CG 3.26Å; I143-R147 WeakPolarHBondContact O-CG 3.49Å; I143-R147 PolarHBondContact O-N 3.01Å; S144-R147 PolarHBondContact O-N 2.86Å; R147-T149 VanDerWaalsContact C-N 3.3Å; R147-K160 VanDerWaalsContact O-CE 3.29Å; R147-K160 WeakPolarHBondContact O-CE 3.47Å; R147-K160 PolarHBondContact O-NZ 2.99Å; R147-T164 HydrophobicContact CG-CG2 3.71Å; R147-Y168 PolarHBondContact NH1-OH 3.44Å; R147-Y189 HydrophobicContact CG-CE2 4.23Å |
| 148 | S | 92.8 | Very high | 93.7 | Very high | 83 Ų | 83 | 66.3 Ų | 66.3 | 58% | 0.58 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -78.1 | -11.8 | 178.1 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | S144 F145 Q150 | S144-S148 VanDerWaalsContact O-CB 3.29Å; S144-S148 WeakPolarHBondContact O-CB 3.28Å; S144-S148 PolarHBondContact O-N 3.02Å; S144-S148 PolarHBondContact O-OG 3.26Å; F145-S148 PolarHBondContact O-OG 3.03Å; S148-Q150 PolarHBondContact O-N 2.8Å; S148-Q150 VanDerWaalsContact O-N 3.13Å |
| 149 | T | 90.6 | Very high | 93.6 | Very high | 25 Ų | 25 | 71.1 Ų | 71.1 | 15% | 0.153 | 39% | 0.391 | C | S | . | . | trans | -65.1 | 114.6 | 176.6 | -69.4 | 0 | 0 | 0 | 0 | 110.9 | K115 F145 L146 R147 V151 K160 | K115-T149 HydrophobicContact CD-CG2 3.92Å; F145-T149 PolarHBondContact O-N 3.44Å; F145-T149 VanDerWaalsContact O-N 3.12Å; F145-T149 PolarHBondContact O-OG1 3.36Å; L146-T149 WeakPolarHBondContact O-CB 3.41Å; L146-T149 PolarHBondContact O-N 2.75Å; R147-T149 VanDerWaalsContact C-N 3.3Å; T149-V151 HydrophobicContact CG2-CG1 4.18Å; T149-K160 WeakPolarHBondContact O-CD 3.5Å; T149-K160 VanDerWaalsContact O-CE 3.3Å; T149-K160 WeakPolarHBondContact O-CE 3.47Å; T149-K160 PolarHBondContact O-NZ 3.43Å | ||
| 150 | Q | 87.6 | Confident | 93.4 | Very high | 162 Ų | 162 | 72.9 Ų | 72.9 | 76% | 0.757 | 40% | 0.398 | S | S | * | . | trans | -72 | 131.7 | 171.6 | -65.7 | 179.7 | -4.8 | 0 | 0 | 110.5 | K115 S148 | K115-Q150 PolarHBondContact NZ-O 3.04Å; S148-Q150 PolarHBondContact O-N 2.8Å; S148-Q150 VanDerWaalsContact O-N 3.13Å | ||
| 151 | V | 89.1 | Confident | 93.3 | Very high | 52 Ų | 52 | 72.9 Ų | 72.9 | 32% | 0.315 | 39% | 0.393 | S | S | . | . | trans | -135.6 | 160.2 | 175.6 | -65.1 | 0 | 0 | 0 | 0 | 109 | T149 A156 E157 K160 | T149-V151 HydrophobicContact CG2-CG1 4.18Å; V151-A156 HydrophobicContact CB-CB 3.81Å; V151-A156 HydrophobicContact CG1-CB 4.45Å; V151-A156 HydrophobicContact CG2-CB 4.24Å; V151-E157 HydrophobicContact CG2-CB 4.23Å; V151-E157 WeakPolarHBondContact CG2-OE2 3.43Å; V151-K160 HydrophobicContact CG1-CD 4.45Å; V151-K160 HydrophobicContact CG2-CB 4.36Å; V151-K160 HydrophobicContact CG2-CD 3.82Å | ||
| 152 | Q | 88 | Confident | 93.2 | Very high | 187 Ų | 187 | 72.1 Ų | 72.1 | 87% | 0.874 | 39% | 0.392 | S | S | * | . | trans | -125.2 | 137.9 | -178.2 | -69.5 | -177.4 | -12.1 | 0 | 0 | 110.7 | A156 | Q152-A156 WeakPolarHBondContact O-CB 3.3Š| ||
| 153 | G | 92.3 | Very high | 93.1 | Very high | 59 Ų | 59 | 73.4 Ų | 73.4 | 61% | 0.608 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 84.7 | 152.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y155 A156 E157 | G153-Y155 VanDerWaalsContact C-N 3.33Å; G153-Y155 PolarHBondContact O-N 2.76Å; G153-A156 PolarHBondContact O-N 3.19Å; G153-E157 PolarHBondContact O-N 3.22Å |
| 154 | S | 92.9 | Very high | 93.1 | Very high | 108 Ų | 108 | 72.9 Ų | 72.9 | 76% | 0.755 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.5 | -38.4 | -174.9 | 177.3 | 0 | 0 | 0 | 0 | 113.2 | A156 E157 S158 | S154-A156 PolarHBondContact O-N 2.69Å; S154-E157 PolarHBondContact O-N 3.14Å; S154-S158 WeakPolarHBondContact O-CB 3.44Å; S154-S158 PolarHBondContact O-N 3.03Å |
| 155 | Y | 93.1 | Very high | 93.1 | Very high | 178 Ų | 178 | 71.4 Ų | 71.4 | 70% | 0.698 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.5 | -44.5 | 177.9 | -179.4 | -109.4 | 0 | 0 | 0 | 112.4 | G153 S158 Q159 | G153-Y155 VanDerWaalsContact C-N 3.33Å; G153-Y155 PolarHBondContact O-N 2.76Å; Y155-S158 WeakPolarHBondContact O-CB 3.37Å; Y155-S158 PolarHBondContact O-N 3.44Å; Y155-Q159 HydrophobicContact CE1-CG 4.28Å; Y155-Q159 VanDerWaalsContact CZ-NE2 3.33Å; Y155-Q159 PolarHBondContact O-N 3.47Å; Y155-Q159 PolarHBondContact OH-NE2 3.02Å; Y155-Q159 VanDerWaalsContact OH-NE2 3.13Å |
| 156 | A | 92.1 | Very high | 93.2 | Very high | 24 Ų | 24 | 78.8 Ų | 78.8 | 20% | 0.198 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -71.4 | -34.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | V151 Q152 G153 S154 S158 Q159 K160 | V151-A156 HydrophobicContact CB-CB 3.81Å; V151-A156 HydrophobicContact CG1-CB 4.45Å; V151-A156 HydrophobicContact CG2-CB 4.24Å; Q152-A156 WeakPolarHBondContact O-CB 3.3Å; G153-A156 PolarHBondContact O-N 3.19Å; S154-A156 PolarHBondContact O-N 2.69Å; A156-S158 VanDerWaalsContact C-N 3.34Å; A156-Q159 PolarHBondContact O-N 2.92Å; A156-K160 WeakPolarHBondContact O-CB 3.25Å; A156-K160 PolarHBondContact O-N 3.41Å |
| 157 | E | 92.7 | Very high | 93.3 | Very high | 70 Ų | 70 | 78.3 Ų | 78.3 | 33% | 0.327 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.5 | -36.5 | 171.3 | -165.9 | 65 | -148.2 | 0 | 0 | 111.2 | V151 G153 S154 K160 I161 | V151-E157 HydrophobicContact CG2-CB 4.23Å; V151-E157 WeakPolarHBondContact CG2-OE2 3.43Å; G153-E157 PolarHBondContact O-N 3.22Å; S154-E157 PolarHBondContact O-N 3.14Å; E157-K160 PolarHBondContact O-N 3.41Å; E157-K160 WeakPolarHBondContact OE1-CE 3.21Å; E157-K160 IonicContact OE1-NZ 3.75Å; E157-K160 PolarHBondContact OE1-NZ 3.49Å; E157-K160 IonicContact OE2-NZ 2.76Å; E157-K160 PolarHBondContact OE2-NZ 3.23Å; E157-I161 HydrophobicContact CG-CD1 4.26Å; E157-I161 WeakPolarHBondContact O-CB 3.49Å; E157-I161 VanDerWaalsContact O-CG1 3.3Å; E157-I161 WeakPolarHBondContact O-CG1 3.34Å; E157-I161 PolarHBondContact O-N 3.46Å |
| 158 | S | 94.1 | Very high | 93.4 | Very high | 66 Ų | 66 | 72.8 Ų | 72.8 | 46% | 0.462 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 173.5 | -168 | 0 | 0 | 0 | 0 | 112.9 | S154 Y155 A156 I161 T162 | S154-S158 WeakPolarHBondContact O-CB 3.44Å; S154-S158 PolarHBondContact O-N 3.03Å; Y155-S158 WeakPolarHBondContact O-CB 3.37Å; Y155-S158 PolarHBondContact O-N 3.44Å; A156-S158 VanDerWaalsContact C-N 3.34Å; S158-I161 PolarHBondContact O-N 3.28Å; S158-T162 WeakPolarHBondContact O-CB 3.3Å; S158-T162 PolarHBondContact O-N 2.89Å; S158-T162 PolarHBondContact O-OG1 3.5Å |
| 159 | Q | 93.8 | Very high | 93.6 | Very high | 102 Ų | 102 | 70.6 Ų | 70.6 | 48% | 0.477 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 172.3 | -73.1 | -173.4 | -26.8 | 0 | 0 | 111.9 | Y155 A156 I161 T162 A163 | Y155-Q159 HydrophobicContact CE1-CG 4.28Å; Y155-Q159 VanDerWaalsContact CZ-NE2 3.33Å; Y155-Q159 PolarHBondContact O-N 3.47Å; Y155-Q159 PolarHBondContact OH-NE2 3.02Å; Y155-Q159 VanDerWaalsContact OH-NE2 3.13Å; A156-Q159 PolarHBondContact O-N 2.92Å; Q159-I161 PolarHBondContact O-N 3.33Å; Q159-T162 WeakPolarHBondContact O-CB 3.48Å; Q159-T162 PolarHBondContact O-N 3.48Å; Q159-T162 VanDerWaalsContact O-N 3.16Å; Q159-A163 PolarHBondContact O-N 3.08Å |
| 160 | K | 93.9 | Very high | 93.9 | Very high | 38 Ų | 38 | 73.9 Ų | 73.9 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 176 | 173.3 | -176.4 | 162.8 | -153.3 | 0 | 112.4 | L146 R147 T149 V151 A156 E157 T162 A163 T164 | L146-K160 WeakPolarHBondContact O-CE 3.27Å; R147-K160 VanDerWaalsContact O-CE 3.29Å; R147-K160 WeakPolarHBondContact O-CE 3.47Å; R147-K160 PolarHBondContact O-NZ 2.99Å; T149-K160 WeakPolarHBondContact O-CD 3.5Å; T149-K160 VanDerWaalsContact O-CE 3.3Å; T149-K160 WeakPolarHBondContact O-CE 3.47Å; T149-K160 PolarHBondContact O-NZ 3.43Å; V151-K160 HydrophobicContact CG1-CD 4.45Å; V151-K160 HydrophobicContact CG2-CB 4.36Å; V151-K160 HydrophobicContact CG2-CD 3.82Å; A156-K160 WeakPolarHBondContact O-CB 3.25Å; A156-K160 PolarHBondContact O-N 3.41Å; E157-K160 PolarHBondContact O-N 3.41Å; E157-K160 WeakPolarHBondContact OE1-CE 3.21Å; E157-K160 IonicContact OE1-NZ 3.75Å; E157-K160 PolarHBondContact OE1-NZ 3.49Å; E157-K160 IonicContact OE2-NZ 2.76Å; E157-K160 PolarHBondContact OE2-NZ 3.23Å; K160-T162 VanDerWaalsContact C-N 3.33Å; K160-A163 PolarHBondContact O-N 3.36Å; K160-T164 WeakPolarHBondContact O-CB 3.46Å; K160-T164 PolarHBondContact O-N 3.49Å; K160-T164 PolarHBondContact O-OG1 3.16Å |
| 161 | I | 95 | Very high | 94.3 | Very high | 32 Ų | 32 | 66.2 Ų | 66.2 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 173.1 | -75.2 | 163.6 | 0 | 0 | 0 | 110.5 | E157 S158 Q159 T164 R165 I193 | E157-I161 HydrophobicContact CG-CD1 4.26Å; E157-I161 WeakPolarHBondContact O-CB 3.49Å; E157-I161 VanDerWaalsContact O-CG1 3.3Å; E157-I161 WeakPolarHBondContact O-CG1 3.34Å; E157-I161 PolarHBondContact O-N 3.46Å; S158-I161 PolarHBondContact O-N 3.28Å; Q159-I161 PolarHBondContact O-N 3.33Å; I161-T164 PolarHBondContact O-N 2.77Å; I161-R165 VanDerWaalsContact O-CB 3.23Å; I161-R165 WeakPolarHBondContact O-CB 3.39Å; I161-R165 PolarHBondContact O-N 3.41Å; I161-I193 HydrophobicContact CD1-CG1 4.44Å; I161-I193 HydrophobicContact CD1-CG2 4.05Å; I161-I193 HydrophobicContact CG1-CD1 4.21Å; I161-I193 HydrophobicContact CG1-CG1 4.37Å; I161-I193 HydrophobicContact CG2-CD1 3.78Å |
| 162 | T | 95.5 | Very high | 94.7 | Very high | 71 Ų | 71 | 63.7 Ų | 63.7 | 44% | 0.436 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | -179.5 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | S158 Q159 K160 R166 | S158-T162 WeakPolarHBondContact O-CB 3.3Å; S158-T162 PolarHBondContact O-N 2.89Å; S158-T162 PolarHBondContact O-OG1 3.5Å; Q159-T162 WeakPolarHBondContact O-CB 3.48Å; Q159-T162 PolarHBondContact O-N 3.48Å; Q159-T162 VanDerWaalsContact O-N 3.16Å; K160-T162 VanDerWaalsContact C-N 3.33Å; T162-R166 WeakPolarHBondContact O-CB 3.08Å; T162-R166 PolarHBondContact O-N 3.26Å |
| 163 | A | 95.1 | Very high | 95 | Very high | 36 Ų | 36 | 57.3 Ų | 57.3 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q159 K160 R165 R166 V167 | Q159-A163 PolarHBondContact O-N 3.08Å; K160-A163 PolarHBondContact O-N 3.36Å; A163-R165 PolarHBondContact O-N 2.99Å; A163-R166 WeakPolarHBondContact O-CB 3.47Å; A163-R166 PolarHBondContact O-N 3.34Å; A163-V167 PolarHBondContact O-N 3.34Å; A163-V167 VanDerWaalsContact O-N 3.17Å |
| 164 | T | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 178.9 | -51.1 | 0 | 0 | 0 | 0 | 111.2 | R147 K160 I161 R166 V167 Y168 Y189 | R147-T164 HydrophobicContact CG-CG2 3.71Å; K160-T164 WeakPolarHBondContact O-CB 3.46Å; K160-T164 PolarHBondContact O-N 3.49Å; K160-T164 PolarHBondContact O-OG1 3.16Å; I161-T164 PolarHBondContact O-N 2.77Å; T164-R166 PolarHBondContact O-N 3.26Å; T164-V167 PolarHBondContact O-N 3.1Å; T164-Y168 HydrophobicContact CG2-CD2 3.88Å; T164-Y168 HydrophobicContact CG2-CE2 3.74Å; T164-Y168 WeakPolarHBondContact O-CD2 3.49Å; T164-Y168 PolarHBondContact O-N 3.32Å; T164-Y189 WeakPolarHBondContact CB-OH 3.37Å; T164-Y189 HydrophobicContact CG2-CD1 4.39Å; T164-Y189 HydrophobicContact CG2-CE1 3.65Å; T164-Y189 HydrophobicContact CG2-CE2 4.23Å |
| 165 | R | 96.4 | Very high | 95.4 | Very high | 39 Ų | 39 | 50.1 Ų | 50.1 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 175 | -179.4 | 178.3 | -67 | 121 | 1.8 | 111.9 | I161 A163 V167 Y168 Q169 Y186 E190 | I161-R165 VanDerWaalsContact O-CB 3.23Å; I161-R165 WeakPolarHBondContact O-CB 3.39Å; I161-R165 PolarHBondContact O-N 3.41Å; A163-R165 PolarHBondContact O-N 2.99Å; R165-V167 VanDerWaalsContact C-N 3.35Å; R165-V167 PolarHBondContact O-N 3.1Å; R165-Y168 PolarHBondContact O-N 3.08Å; R165-Q169 HydrophobicContact CG-CG 4.25Å; R165-Q169 WeakPolarHBondContact O-CB 3.48Å; R165-Q169 WeakPolarHBondContact O-CG 3.35Å; R165-Q169 PolarHBondContact O-N 2.82Å; R165-Y186 HydrophobicContact CG-CE2 4.45Å; R165-E190 WeakPolarHBondContact CD-OE1 3.46Å; R165-E190 IonicContact CZ-OE1 3.49Å; R165-E190 IonicContact CZ-OE2 3.76Å; R165-E190 IonicContact NE-OE1 3.95Å; R165-E190 PolarHBondContact NE-OE1 3.41Å; R165-E190 IonicContact NE-OE2 3.81Å; R165-E190 PolarHBondContact NE-OE2 3.1Å; R165-E190 IonicContact NH2-OE1 2.98Å; R165-E190 IonicContact NH2-OE2 3.54Å; R165-E190 PolarHBondContact NH2-OE2 3.47Å |
| 166 | R | 96.4 | Very high | 95.6 | Very high | 184 Ų | 184 | 41.7 Ų | 41.7 | 69% | 0.694 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -57.5 | -46.4 | 176.6 | -173.9 | -171.1 | -65.7 | 176.7 | -3.3 | 111.5 | T162 A163 T164 Q169 R170 | T162-R166 WeakPolarHBondContact O-CB 3.08Å; T162-R166 PolarHBondContact O-N 3.26Å; A163-R166 WeakPolarHBondContact O-CB 3.47Å; A163-R166 PolarHBondContact O-N 3.34Å; T164-R166 PolarHBondContact O-N 3.26Å; R166-Q169 PolarHBondContact O-N 2.87Å; R166-R170 WeakPolarHBondContact O-CB 3.27Å; R166-R170 PolarHBondContact O-N 2.84Å |
| 167 | V | 97.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -45.7 | 179.1 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | W139 Y142 I143 L146 A163 T164 R165 Q169 R170 A171 | W139-V167 HydrophobicContact CE3-CG1 3.94Å; W139-V167 HydrophobicContact CZ3-CG1 4.13Å; Y142-V167 HydrophobicContact CD1-CB 4.39Å; Y142-V167 HydrophobicContact CD1-CG1 3.65Å; Y142-V167 HydrophobicContact CD1-CG2 3.76Å; Y142-V167 HydrophobicContact CE1-CB 4.46Å; Y142-V167 HydrophobicContact CE1-CG1 4.16Å; Y142-V167 HydrophobicContact CE1-CG2 3.4Å; Y142-V167 HydrophobicContact CG-CG1 4.41Å; I143-V167 HydrophobicContact CD1-CG1 4.27Å; I143-V167 HydrophobicContact CG1-CB 4.38Å; I143-V167 HydrophobicContact CG1-CG1 3.68Å; L146-V167 HydrophobicContact CD1-CB 4.35Å; L146-V167 HydrophobicContact CD1-CG2 3.63Å; A163-V167 PolarHBondContact O-N 3.34Å; A163-V167 VanDerWaalsContact O-N 3.17Å; T164-V167 PolarHBondContact O-N 3.1Å; R165-V167 VanDerWaalsContact C-N 3.35Å; R165-V167 PolarHBondContact O-N 3.1Å; V167-Q169 PolarHBondContact O-N 3Å; V167-R170 PolarHBondContact O-N 2.68Å; V167-A171 WeakPolarHBondContact O-CB 3.17Å; V167-A171 PolarHBondContact O-N 3.09Å |
| 168 | Y | 97.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.5 | -49.8 | 173.8 | -87 | -65.1 | 0 | 0 | 0 | 111.9 | I143 R147 T164 R165 R170 A171 I172 I182 D185 Y186 Y189 | I143-Y168 HydrophobicContact CD1-CD1 3.75Å; I143-Y168 HydrophobicContact CD1-CE1 3.82Å; I143-Y168 HydrophobicContact CD1-CG 4.26Å; I143-Y168 HydrophobicContact CG2-CD2 4.47Å; I143-Y168 HydrophobicContact CG2-CE1 3.92Å; I143-Y168 HydrophobicContact CG2-CE2 3.71Å; I143-Y168 WeakPolarHBondContact CG2-OH 3.22Å; R147-Y168 PolarHBondContact NH1-OH 3.44Å; T164-Y168 HydrophobicContact CG2-CD2 3.88Å; T164-Y168 HydrophobicContact CG2-CE2 3.74Å; T164-Y168 WeakPolarHBondContact O-CD2 3.49Å; T164-Y168 PolarHBondContact O-N 3.32Å; R165-Y168 PolarHBondContact O-N 3.08Å; Y168-R170 VanDerWaalsContact C-N 3.32Å; Y168-R170 PolarHBondContact O-N 3.09Å; Y168-A171 PolarHBondContact O-N 3.08Å; Y168-A171 VanDerWaalsContact O-N 3.14Å; Y168-I172 WeakPolarHBondContact O-CG1 3.44Å; Y168-I172 WeakPolarHBondContact O-CG2 3.33Å; Y168-I172 PolarHBondContact O-N 3.18Å; Y168-I182 HydrophobicContact CD1-CG2 4.01Å; Y168-I182 HydrophobicContact CE1-CG2 4.43Å; Y168-D185 HydrophobicContact CE1-CB 4.05Å; Y168-Y186 HydrophobicContact CD1-CD2 4.02Å; Y168-Y186 HydrophobicContact CD1-CG 4.24Å; Y168-Y186 AromaticContact CD2-CD2 3.93Å; Y168-Y186 HydrophobicContact CD2-CD2 3.93Å; Y168-Y186 AromaticContact CG-CD2 3.55Å; Y168-Y186 HydrophobicContact CG-CD2 3.55Å; Y168-Y186 HydrophobicContact CG-CE2 4.4Å; Y168-Y186 HydrophobicContact CG-CG 4.21Å; Y168-Y189 AromaticContact CD2-CD1 3.69Å; Y168-Y189 HydrophobicContact CD2-CD1 3.69Å; Y168-Y189 HydrophobicContact CD2-CE1 4.14Å; Y168-Y189 HydrophobicContact CD2-CG 4.33Å; Y168-Y189 AromaticContact CE2-CD1 3.45Å; Y168-Y189 HydrophobicContact CE2-CD1 3.45Å; Y168-Y189 VanDerWaalsContact CE2-CD1 3.45Å; Y168-Y189 HydrophobicContact CE2-CD2 4.37Å; Y168-Y189 HydrophobicContact CE2-CE1 4.05Å; Y168-Y189 AromaticContact CE2-CG 3.63Å; Y168-Y189 HydrophobicContact CE2-CG 3.63Å |
| 169 | Q | 96.5 | Very high | 96 | Very high | 37 Ų | 37 | 38.9 Ų | 38.9 | 17% | 0.173 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -33.7 | -177.7 | -72.4 | -171.1 | 5.7 | 0 | 0 | 112.9 | R165 R166 V167 I172 Y186 R205 | R165-Q169 HydrophobicContact CG-CG 4.25Å; R165-Q169 WeakPolarHBondContact O-CB 3.48Å; R165-Q169 WeakPolarHBondContact O-CG 3.35Å; R165-Q169 PolarHBondContact O-N 2.82Å; R166-Q169 PolarHBondContact O-N 2.87Å; V167-Q169 PolarHBondContact O-N 3Å; Q169-I172 VanDerWaalsContact O-CG1 3.32Å; Q169-I172 WeakPolarHBondContact O-CG1 3.4Å; Q169-Y186 HydrophobicContact CG-CE2 4.46Å; Q169-Y186 PolarHBondContact NE2-OH 3.1Å; Q169-R205 HydrophobicContact CG-CG 4.46Å; Q169-R205 VanDerWaalsContact OE1-NH2 3.12Å |
| 170 | R | 96.3 | Very high | 96.1 | Very high | 95 Ų | 95 | 37.4 Ų | 37.4 | 36% | 0.358 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -71 | -36.9 | 172.6 | -169.5 | -174.5 | 164.5 | 176.3 | -2.2 | 112.4 | L126 D127 W139 R166 V167 Y168 V173 T174 | L126-R170 PolarHBondContact O-NH2 3.36Å; D127-R170 IonicContact OD1-CZ 3.44Å; D127-R170 IonicContact OD1-NH1 3.31Å; D127-R170 PolarHBondContact OD1-NH1 3.3Å; D127-R170 IonicContact OD1-NH2 2.71Å; D127-R170 PolarHBondContact OD1-NH2 2.95Å; W139-R170 HydrophobicContact CH2-CB 4.17Å; W139-R170 HydrophobicContact CH2-CG 3.72Å; W139-R170 HydrophobicContact CZ3-CB 4.17Å; W139-R170 HydrophobicContact CZ3-CG 4.19Å; R166-R170 WeakPolarHBondContact O-CB 3.27Å; R166-R170 PolarHBondContact O-N 2.84Å; V167-R170 PolarHBondContact O-N 2.68Å; Y168-R170 VanDerWaalsContact C-N 3.32Å; Y168-R170 PolarHBondContact O-N 3.09Å; R170-V173 WeakPolarHBondContact O-CG2 3.35Å; R170-T174 PolarHBondContact O-OG1 2.97Å |
| 171 | A | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.8 | -45 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W139 V167 Y168 V173 T174 M176 I182 | W139-A171 HydrophobicContact CD2-CB 3.79Å; W139-A171 HydrophobicContact CE3-CB 3.53Å; W139-A171 HydrophobicContact CG-CB 4.29Å; W139-A171 HydrophobicContact CZ3-CB 3.93Å; V167-A171 WeakPolarHBondContact O-CB 3.17Å; V167-A171 PolarHBondContact O-N 3.09Å; Y168-A171 PolarHBondContact O-N 3.08Å; Y168-A171 VanDerWaalsContact O-N 3.14Å; A171-V173 PolarHBondContact O-N 2.95Å; A171-T174 PolarHBondContact O-N 3.4Å; A171-M176 HydrophobicContact CB-CE 4.11Å; A171-M176 WeakPolarHBondContact O-CE 3.38Å; A171-I182 HydrophobicContact CB-CD1 4.04Å; A171-I182 HydrophobicContact CB-CG2 3.81Å |
| 172 | I | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.9 | -15.7 | -175.2 | 61 | 171.1 | 0 | 0 | 0 | 114.5 | Y168 Q169 I182 W183 Y186 R205 | Y168-I172 WeakPolarHBondContact O-CG1 3.44Å; Y168-I172 WeakPolarHBondContact O-CG2 3.33Å; Y168-I172 PolarHBondContact O-N 3.18Å; Q169-I172 VanDerWaalsContact O-CG1 3.32Å; Q169-I172 WeakPolarHBondContact O-CG1 3.4Å; I172-I182 HydrophobicContact CG2-CG2 3.94Å; I172-W183 HydrophobicContact CB-CE3 4.2Å; I172-W183 HydrophobicContact CD1-CE3 4.02Å; I172-W183 HydrophobicContact CD1-CZ3 3.72Å; I172-W183 HydrophobicContact CG2-CE3 3.96Å; I172-Y186 HydrophobicContact CD1-CD1 4.17Å; I172-Y186 HydrophobicContact CD1-CE1 4.2Å; I172-R205 HydrophobicContact CD1-CB 3.71Å; I172-R205 HydrophobicContact CD1-CG 4.19Å |
| 173 | V | 95.8 | Very high | 96.5 | Very high | 53 Ų | 53 | 34.7 Ų | 34.7 | 32% | 0.321 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -2.8 | 174 | -58.6 | 0 | 0 | 0 | 0 | 113.1 | R170 A171 P175 D208 | R170-V173 WeakPolarHBondContact O-CG2 3.35Å; A171-V173 PolarHBondContact O-N 2.95Å; V173-P175 WeakPolarHBondContact O-CD 3.39Å; V173-D208 HydrophobicContact CG1-CB 3.68Å |
| 174 | T | 96.1 | Very high | 96.6 | Very high | 14 Ų | 14 | 39 Ų | 39 | 9% | 0.086 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -100.5 | 114.8 | -178.2 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | G130 L131 R170 A171 M176 | G130-T174 VanDerWaalsContact O-CG2 3.28Å; G130-T174 WeakPolarHBondContact O-CG2 3.15Å; L131-T174 HydrophobicContact CD2-CG2 4.17Å; R170-T174 PolarHBondContact O-OG1 2.97Å; A171-T174 PolarHBondContact O-N 3.4Å; T174-M176 HydrophobicContact CG2-CE 4.42Å; T174-M176 WeakPolarHBondContact O-CE 3.47Å; T174-M176 PolarHBondContact O-N 3.22Å; T174-M176 VanDerWaalsContact O-N 3.14Å |
| 175 | P | 97.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | trans | -62.1 | 112.8 | 179.4 | -24.9 | 35.2 | 0 | 0 | 0 | 112.9 | V173 A212 V215 A216 L260 | V173-P175 WeakPolarHBondContact O-CD 3.39Å; P175-A212 HydrophobicContact CG-CB 4.37Å; P175-V215 HydrophobicContact CB-CB 4.28Å; P175-V215 HydrophobicContact CB-CG1 3.96Å; P175-V215 HydrophobicContact CG-CB 3.99Å; P175-V215 HydrophobicContact CG-CG1 3.72Å; P175-A216 HydrophobicContact CB-CB 4.13Å; P175-L260 HydrophobicContact CG-CD2 3.87Å; P175-L260 HydrophobicContact CG-CG 4.48Å | ||
| 176 | M | 96.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | trans | -150.7 | 160.9 | -180 | 68.3 | 179.3 | 103.7 | 0 | 0 | 111.4 | W139 A171 T174 I179 I182 | W139-M176 HydrophobicContact CD2-CE 4.28Å; W139-M176 HydrophobicContact CG-CE 4.04Å; W139-M176 HydrophobicContact CG-SD 4.22Å; A171-M176 HydrophobicContact CB-CE 4.11Å; A171-M176 WeakPolarHBondContact O-CE 3.38Å; T174-M176 HydrophobicContact CG2-CE 4.42Å; T174-M176 WeakPolarHBondContact O-CE 3.47Å; T174-M176 PolarHBondContact O-N 3.22Å; T174-M176 VanDerWaalsContact O-N 3.14Å; M176-I179 HydrophobicContact CG-CB 4.09Å; M176-I179 WeakPolarHBondContact O-CB 3.07Å; M176-I179 WeakPolarHBondContact O-CG2 3.5Å; M176-I179 PolarHBondContact O-N 3.2Å; M176-I182 HydrophobicContact CE-CD1 3.79Å; M176-I182 HydrophobicContact SD-CD1 3.62Å | ||
| 177 | L | 95.5 | Very high | 96.7 | Very high | 63 Ų | 63 | 32.5 Ų | 32.5 | 33% | 0.33 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 140.9 | 167.1 | -66.9 | 171.6 | 0 | 0 | 0 | 109.8 | L133 Y136 I179 E220 | L133-L177 HydrophobicContact CD1-CD2 4.33Å; L133-L177 HydrophobicContact CD1-CG 3.86Å; L133-L177 HydrophobicContact CD2-CD1 4.2Å; L133-L177 HydrophobicContact CD2-CG 4.31Å; L133-L177 HydrophobicContact CG-CD1 4Å; L133-L177 HydrophobicContact CG-CG 3.78Å; L133-L177 PolarHBondContact O-N 3.49Å; Y136-L177 WeakPolarHBondContact CB-O 3.24Å; L177-I179 VanDerWaalsContact C-N 3.3Å; L177-I179 PolarHBondContact O-N 3.04Å; L177-E220 HydrophobicContact CD2-CB 4.32Å; L177-E220 HydrophobicContact CD2-CG 4.1Å |
| 178 | G | 95 | Very high | 96.6 | Very high | 32 Ų | 32 | 38 Ų | 38 | 33% | 0.33 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 5.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y136 E180 T181 I182 | Y136-G178 WeakPolarHBondContact CE2-O 3.28Å; G178-E180 PolarHBondContact O-N 3.08Å; G178-E180 VanDerWaalsContact O-N 3.1Å; G178-T181 WeakPolarHBondContact O-CA 3.29Å; G178-T181 WeakPolarHBondContact O-CB 3.46Å; G178-T181 PolarHBondContact O-N 3.23Å; G178-I182 PolarHBondContact O-N 2.68Å |
| 179 | I | 96.9 | Very high | 96.6 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -51.3 | -32.9 | 172.7 | -166.1 | 177.5 | 0 | 0 | 0 | 112.9 | M176 L177 T181 I182 W183 Y209 A212 R213 A216 | M176-I179 HydrophobicContact CG-CB 4.09Å; M176-I179 WeakPolarHBondContact O-CB 3.07Å; M176-I179 WeakPolarHBondContact O-CG2 3.5Å; M176-I179 PolarHBondContact O-N 3.2Å; L177-I179 VanDerWaalsContact C-N 3.3Å; L177-I179 PolarHBondContact O-N 3.04Å; I179-T181 VanDerWaalsContact C-N 3.32Å; I179-T181 PolarHBondContact O-N 2.81Å; I179-I182 PolarHBondContact O-N 3.11Å; I179-W183 WeakPolarHBondContact O-CB 3.37Å; I179-W183 PolarHBondContact O-N 2.86Å; I179-Y209 HydrophobicContact CD1-CD2 4.45Å; I179-Y209 HydrophobicContact CG1-CD2 4.32Å; I179-Y209 HydrophobicContact CG1-CE2 4.2Å; I179-A212 HydrophobicContact CD1-CB 3.72Å; I179-R213 HydrophobicContact CG2-CG 4.47Å; I179-A216 HydrophobicContact CG2-CB 4.18Å |
| 180 | E | 96.8 | Very high | 96.6 | Very high | 70 Ų | 70 | 36.9 Ų | 36.9 | 33% | 0.327 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.3 | -30.6 | 176.1 | -56.2 | -179.1 | 151.5 | 0 | 0 | 113.2 | G178 R184 R213 | G178-E180 PolarHBondContact O-N 3.08Å; G178-E180 VanDerWaalsContact O-N 3.1Å; E180-R184 PolarHBondContact O-N 2.94Å; E180-R184 VanDerWaalsContact O-N 3.17Å; E180-R213 HydrophobicContact CG-CG 4.28Å; E180-R213 IonicContact OE1-CZ 2.87Å; E180-R213 IonicContact OE1-NE 3.69Å; E180-R213 PolarHBondContact OE1-NE 3.37Å; E180-R213 IonicContact OE1-NH2 3.65Å; E180-R213 PolarHBondContact OE1-NH2 3.34Å |
| 181 | T | 97.5 | Very high | 96.5 | Very high | 41 Ų | 41 | 36.1 Ų | 36.1 | 25% | 0.252 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -76.6 | -42.7 | 174.4 | -63.8 | 0 | 0 | 0 | 0 | 111 | Y136 G178 I179 W183 R184 D185 | Y136-T181 HydrophobicContact CE2-CG2 4.31Å; Y136-T181 WeakPolarHBondContact OH-CG2 3.48Å; G178-T181 WeakPolarHBondContact O-CA 3.29Å; G178-T181 WeakPolarHBondContact O-CB 3.46Å; G178-T181 PolarHBondContact O-N 3.23Å; I179-T181 VanDerWaalsContact C-N 3.32Å; I179-T181 PolarHBondContact O-N 2.81Å; T181-W183 VanDerWaalsContact C-N 3.28Å; T181-W183 PolarHBondContact O-N 3.04Å; T181-R184 PolarHBondContact O-N 3.22Å; T181-R184 PolarHBondContact OG1-NH1 2.86Å; T181-D185 WeakPolarHBondContact O-CB 3.32Å; T181-D185 VanDerWaalsContact O-CG 3.29Å; T181-D185 PolarHBondContact O-N 3.19Å |
| 182 | I | 97.2 | Very high | 96.4 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.3 | -42.6 | 174.1 | -57.9 | -173.5 | 0 | 0 | 0 | 110.8 | Y136 W139 I143 Y168 A171 I172 M176 G178 I179 D185 Y186 | Y136-I182 HydrophobicContact CD2-CD1 3.81Å; Y136-I182 HydrophobicContact CD2-CG1 3.73Å; Y136-I182 HydrophobicContact CE2-CD1 4.24Å; Y136-I182 HydrophobicContact CE2-CG1 3.66Å; W139-I182 HydrophobicContact CB-CD1 3.89Å; W139-I182 HydrophobicContact CG-CD1 4.36Å; I143-I182 HydrophobicContact CD1-CG2 4.45Å; Y168-I182 HydrophobicContact CD1-CG2 4.01Å; Y168-I182 HydrophobicContact CE1-CG2 4.43Å; A171-I182 HydrophobicContact CB-CD1 4.04Å; A171-I182 HydrophobicContact CB-CG2 3.81Å; I172-I182 HydrophobicContact CG2-CG2 3.94Å; M176-I182 HydrophobicContact CE-CD1 3.79Å; M176-I182 HydrophobicContact SD-CD1 3.62Å; G178-I182 PolarHBondContact O-N 2.68Å; I179-I182 PolarHBondContact O-N 3.11Å; I182-D185 PolarHBondContact O-N 3.07Å; I182-Y186 WeakPolarHBondContact O-CB 3.11Å; I182-Y186 PolarHBondContact O-N 2.76Å |
| 183 | W | 97.6 | Very high | 96.2 | Very high | 38 Ų | 38 | 42.9 Ų | 42.9 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 176.4 | 177.6 | -105.6 | 0 | 0 | 0 | 113.2 | I172 I179 T181 Y186 C187 T202 R205 Y209 | I172-W183 HydrophobicContact CB-CE3 4.2Å; I172-W183 HydrophobicContact CD1-CE3 4.02Å; I172-W183 HydrophobicContact CD1-CZ3 3.72Å; I172-W183 HydrophobicContact CG2-CE3 3.96Å; I179-W183 WeakPolarHBondContact O-CB 3.37Å; I179-W183 PolarHBondContact O-N 2.86Å; T181-W183 VanDerWaalsContact C-N 3.28Å; T181-W183 PolarHBondContact O-N 3.04Å; W183-Y186 HydrophobicContact CE3-CD1 4.21Å; W183-Y186 HydrophobicContact CZ3-CD1 4.03Å; W183-Y186 HydrophobicContact CZ3-CE1 4.43Å; W183-Y186 PolarHBondContact O-N 3.43Å; W183-C187 PolarHBondContact O-N 3.43Å; W183-C187 PolarHBondContact O-SG 3.32Å; W183-T202 WeakPolarHBondContact CH2-O 3.35Å; W183-R205 HydrophobicContact CZ3-CB 4.24Å; W183-Y209 HydrophobicContact CB-CD2 3.78Å; W183-Y209 HydrophobicContact CB-CE1 4.2Å; W183-Y209 HydrophobicContact CB-CE2 3.35Å; W183-Y209 HydrophobicContact CB-CG 4.36Å; W183-Y209 AromaticContact CD1-CD1 3.98Å; W183-Y209 AromaticContact CD1-CE1 3.42Å; W183-Y209 VanDerWaalsContact CD1-CE1 3.42Å; W183-Y209 AromaticContact CD1-CZ 3.53Å; W183-Y209 AromaticContact CD2-CD1 3.49Å; W183-Y209 HydrophobicContact CD2-CD1 3.49Å; W183-Y209 VanDerWaalsContact CD2-CD1 3.49Å; W183-Y209 AromaticContact CD2-CD2 3.9Å; W183-Y209 HydrophobicContact CD2-CD2 3.9Å; W183-Y209 AromaticContact CD2-CE1 3.75Å; W183-Y209 HydrophobicContact CD2-CE1 3.75Å; W183-Y209 HydrophobicContact CD2-CE2 4.15Å; W183-Y209 AromaticContact CD2-CG 3.55Å; W183-Y209 HydrophobicContact CD2-CG 3.55Å; W183-Y209 AromaticContact CE2-CD1 3.58Å; W183-Y209 AromaticContact CE2-CE1 3.82Å; W183-Y209 AromaticContact CE3-CD1 3.91Å; W183-Y209 HydrophobicContact CE3-CD1 3.91Å; W183-Y209 AromaticContact CE3-CD2 3.93Å; W183-Y209 HydrophobicContact CE3-CD2 3.93Å; W183-Y209 AromaticContact CE3-CG 3.54Å; W183-Y209 HydrophobicContact CE3-CG 3.54Å; W183-Y209 AromaticContact CG-CD1 3.77Å; W183-Y209 HydrophobicContact CG-CD1 3.77Å; W183-Y209 AromaticContact CG-CD2 3.85Å; W183-Y209 HydrophobicContact CG-CD2 3.85Å; W183-Y209 AromaticContact CG-CE1 3.52Å; W183-Y209 HydrophobicContact CG-CE1 3.52Å; W183-Y209 AromaticContact CG-CE2 3.6Å; W183-Y209 HydrophobicContact CG-CE2 3.6Å; W183-Y209 AromaticContact CG-CG 3.92Å; W183-Y209 HydrophobicContact CG-CG 3.92Å; W183-Y209 AromaticContact CG-CZ 3.41Å; W183-Y209 VanDerWaalsContact CG-CZ 3.41Å; W183-Y209 HydrophobicContact CH2-CD1 4.45Å; W183-Y209 HydrophobicContact CZ2-CD1 4.09Å; W183-Y209 HydrophobicContact CZ3-CD1 4.37Å; W183-Y209 HydrophobicContact CZ3-CG 4.08Å; W183-Y209 AromaticContact NE1-CD1 3.87Å; W183-Y209 AromaticContact NE1-CE1 3.6Å |
| 184 | R | 97.2 | Very high | 96.1 | Very high | 128 Ų | 128 | 42.9 Ų | 42.9 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 175.2 | -169.6 | -170.3 | -54.8 | 106.5 | 4.7 | 110.9 | E180 T181 Y186 C187 M188 | E180-R184 PolarHBondContact O-N 2.94Å; E180-R184 VanDerWaalsContact O-N 3.17Å; T181-R184 PolarHBondContact O-N 3.22Å; T181-R184 PolarHBondContact OG1-NH1 2.86Å; R184-Y186 VanDerWaalsContact C-N 3.33Å; R184-Y186 PolarHBondContact O-N 3.15Å; R184-C187 PolarHBondContact O-N 3.48Å; R184-M188 HydrophobicContact CG-SD 4.42Å; R184-M188 WeakPolarHBondContact O-CG 3.5Å; R184-M188 PolarHBondContact O-N 3.24Å |
| 185 | D | 96.8 | Very high | 96 | Very high | 57 Ų | 57 | 46.4 Ų | 46.4 | 31% | 0.305 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.2 | -36.1 | -179.9 | -68.3 | -3.7 | 0 | 0 | 0 | 111.7 | Y168 T181 I182 M188 Y189 | Y168-D185 HydrophobicContact CE1-CB 4.05Å; T181-D185 WeakPolarHBondContact O-CB 3.32Å; T181-D185 VanDerWaalsContact O-CG 3.29Å; T181-D185 PolarHBondContact O-N 3.19Å; I182-D185 PolarHBondContact O-N 3.07Å; D185-M188 PolarHBondContact O-N 2.82Å; D185-Y189 VanDerWaalsContact O-CB 3.23Å; D185-Y189 WeakPolarHBondContact O-CB 3.41Å; D185-Y189 PolarHBondContact O-N 3.39Å |
| 186 | Y | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 173.8 | 179.7 | -125.6 | 0 | 0 | 0 | 111.7 | R165 Y168 Q169 I172 I182 W183 R184 M188 Y189 E190 T202 | R165-Y186 HydrophobicContact CG-CE2 4.45Å; Y168-Y186 HydrophobicContact CD1-CD2 4.02Å; Y168-Y186 HydrophobicContact CD1-CG 4.24Å; Y168-Y186 AromaticContact CD2-CD2 3.93Å; Y168-Y186 HydrophobicContact CD2-CD2 3.93Å; Y168-Y186 AromaticContact CG-CD2 3.55Å; Y168-Y186 HydrophobicContact CG-CD2 3.55Å; Y168-Y186 HydrophobicContact CG-CE2 4.4Å; Y168-Y186 HydrophobicContact CG-CG 4.21Å; Q169-Y186 HydrophobicContact CG-CE2 4.46Å; Q169-Y186 PolarHBondContact NE2-OH 3.1Å; I172-Y186 HydrophobicContact CD1-CD1 4.17Å; I172-Y186 HydrophobicContact CD1-CE1 4.2Å; I182-Y186 WeakPolarHBondContact O-CB 3.11Å; I182-Y186 PolarHBondContact O-N 2.76Å; W183-Y186 HydrophobicContact CE3-CD1 4.21Å; W183-Y186 HydrophobicContact CZ3-CD1 4.03Å; W183-Y186 HydrophobicContact CZ3-CE1 4.43Å; W183-Y186 PolarHBondContact O-N 3.43Å; R184-Y186 VanDerWaalsContact C-N 3.33Å; R184-Y186 PolarHBondContact O-N 3.15Å; Y186-M188 VanDerWaalsContact C-N 3.32Å; Y186-M188 PolarHBondContact O-N 3.34Å; Y186-Y189 WeakPolarHBondContact O-CB 3.41Å; Y186-Y189 PolarHBondContact O-N 2.72Å; Y186-Y189 VanDerWaalsContact O-N 3.13Å; Y186-E190 HydrophobicContact CD2-CG 4.02Å; Y186-E190 HydrophobicContact CE1-CG 4.31Å; Y186-E190 HydrophobicContact CE2-CG 3.45Å; Y186-E190 VanDerWaalsContact CE2-CG 3.45Å; Y186-E190 WeakPolarHBondContact CE2-OE1 3.48Å; Y186-E190 PolarHBondContact O-N 3.2Å; Y186-E190 PolarHBondContact OH-OE1 3.3Å; Y186-T202 HydrophobicContact CE1-CG2 4.4Å |
| 187 | C | 96.3 | Very high | 95.6 | Very high | 29 Ų | 29 | 57 Ų | 57 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 176.8 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | W183 R184 N191 T202 | W183-C187 PolarHBondContact O-N 3.43Å; W183-C187 PolarHBondContact O-SG 3.32Å; R184-C187 PolarHBondContact O-N 3.48Å; C187-N191 WeakPolarHBondContact O-CB 3.46Å; C187-N191 PolarHBondContact O-N 3.21Å; C187-N191 PolarHBondContact O-ND2 2.91Å; C187-T202 HydrophobicContact CB-CG2 4.29Å |
| 188 | M | 96.2 | Very high | 95.5 | Very high | 124 Ų | 124 | 54 Ų | 54 | 61% | 0.611 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.7 | -39 | 174.1 | -70.5 | 177.5 | 65.8 | 0 | 0 | 112.1 | R184 D185 Y186 S192 | R184-M188 HydrophobicContact CG-SD 4.42Å; R184-M188 WeakPolarHBondContact O-CG 3.5Å; R184-M188 PolarHBondContact O-N 3.24Å; D185-M188 PolarHBondContact O-N 2.82Å; Y186-M188 VanDerWaalsContact C-N 3.32Å; Y186-M188 PolarHBondContact O-N 3.34Å; M188-S192 WeakPolarHBondContact O-CB 3.34Å; M188-S192 PolarHBondContact O-N 3.32Å |
| 189 | Y | 96.2 | Very high | 95.4 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 6% | 0.063 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.1 | -49.6 | 179.6 | -179.2 | -116 | 0 | 0 | 0 | 112.5 | R147 T164 Y168 D185 Y186 N191 S192 I193 | R147-Y189 HydrophobicContact CG-CE2 4.23Å; T164-Y189 WeakPolarHBondContact CB-OH 3.37Å; T164-Y189 HydrophobicContact CG2-CD1 4.39Å; T164-Y189 HydrophobicContact CG2-CE1 3.65Å; T164-Y189 HydrophobicContact CG2-CE2 4.23Å; Y168-Y189 AromaticContact CD2-CD1 3.69Å; Y168-Y189 HydrophobicContact CD2-CD1 3.69Å; Y168-Y189 HydrophobicContact CD2-CE1 4.14Å; Y168-Y189 HydrophobicContact CD2-CG 4.33Å; Y168-Y189 AromaticContact CE2-CD1 3.45Å; Y168-Y189 HydrophobicContact CE2-CD1 3.45Å; Y168-Y189 VanDerWaalsContact CE2-CD1 3.45Å; Y168-Y189 HydrophobicContact CE2-CD2 4.37Å; Y168-Y189 HydrophobicContact CE2-CE1 4.05Å; Y168-Y189 AromaticContact CE2-CG 3.63Å; Y168-Y189 HydrophobicContact CE2-CG 3.63Å; D185-Y189 VanDerWaalsContact O-CB 3.23Å; D185-Y189 WeakPolarHBondContact O-CB 3.41Å; D185-Y189 PolarHBondContact O-N 3.39Å; Y186-Y189 WeakPolarHBondContact O-CB 3.41Å; Y186-Y189 PolarHBondContact O-N 2.72Å; Y186-Y189 VanDerWaalsContact O-N 3.13Å; Y189-N191 VanDerWaalsContact C-N 3.35Å; Y189-N191 PolarHBondContact O-N 3.25Å; Y189-S192 PolarHBondContact O-N 3.33Å; Y189-S192 VanDerWaalsContact O-N 3.07Å; Y189-S192 PolarHBondContact O-OG 2.79Å; Y189-I193 HydrophobicContact CD1-CD1 3.94Å; Y189-I193 HydrophobicContact CD2-CD1 4.44Å; Y189-I193 HydrophobicContact CE1-CD1 3.51Å; Y189-I193 HydrophobicContact CE2-CD1 4.05Å; Y189-I193 HydrophobicContact CE2-CG1 4.36Å; Y189-I193 HydrophobicContact CG-CD1 4.39Å; Y189-I193 PolarHBondContact O-N 3.33Å; Y189-I193 VanDerWaalsContact O-N 3.13Å |
| 190 | E | 96 | Very high | 95.3 | Very high | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 177.9 | -66 | -71.4 | -168.7 | 0 | 0 | 111.7 | R165 Y186 S192 I193 N194 A198 | R165-E190 WeakPolarHBondContact CD-OE1 3.46Å; R165-E190 IonicContact CZ-OE1 3.49Å; R165-E190 IonicContact CZ-OE2 3.76Å; R165-E190 IonicContact NE-OE1 3.95Å; R165-E190 PolarHBondContact NE-OE1 3.41Å; R165-E190 IonicContact NE-OE2 3.81Å; R165-E190 PolarHBondContact NE-OE2 3.1Å; R165-E190 IonicContact NH2-OE1 2.98Å; R165-E190 IonicContact NH2-OE2 3.54Å; R165-E190 PolarHBondContact NH2-OE2 3.47Å; Y186-E190 HydrophobicContact CD2-CG 4.02Å; Y186-E190 HydrophobicContact CE1-CG 4.31Å; Y186-E190 HydrophobicContact CE2-CG 3.45Å; Y186-E190 VanDerWaalsContact CE2-CG 3.45Å; Y186-E190 WeakPolarHBondContact CE2-OE1 3.48Å; Y186-E190 PolarHBondContact O-N 3.2Å; Y186-E190 PolarHBondContact OH-OE1 3.3Å; E190-S192 VanDerWaalsContact C-N 3.27Å; E190-S192 PolarHBondContact O-N 3.48Å; E190-I193 PolarHBondContact O-N 3.22Å; E190-N194 PolarHBondContact O-N 3.07Å; E190-A198 HydrophobicContact CB-CB 3.87Å |
| 191 | N | 95.4 | Very high | 95.1 | Very high | 79 Ų | 79 | 64.8 Ų | 64.8 | 42% | 0.422 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -34.9 | 173.7 | -81.6 | -65.6 | 0 | 0 | 0 | 112.5 | C187 Y189 I193 P195 A198 | C187-N191 WeakPolarHBondContact O-CB 3.46Å; C187-N191 PolarHBondContact O-N 3.21Å; C187-N191 PolarHBondContact O-ND2 2.91Å; Y189-N191 VanDerWaalsContact C-N 3.35Å; Y189-N191 PolarHBondContact O-N 3.25Å; N191-I193 VanDerWaalsContact C-N 3.34Å; N191-P195 WeakPolarHBondContact O-CD 3.41Å; N191-P195 WeakPolarHBondContact O-CG 3.43Å; N191-A198 HydrophobicContact CB-CB 4.37Å |
| 192 | S | 94.9 | Very high | 95 | Very high | 86 Ų | 86 | 63.9 Ų | 63.9 | 60% | 0.601 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -72.3 | -23.6 | 177.1 | 75 | 0 | 0 | 0 | 0 | 114.1 | M188 Y189 E190 | M188-S192 WeakPolarHBondContact O-CB 3.34Å; M188-S192 PolarHBondContact O-N 3.32Å; Y189-S192 PolarHBondContact O-N 3.33Å; Y189-S192 VanDerWaalsContact O-N 3.07Å; Y189-S192 PolarHBondContact O-OG 2.79Å; E190-S192 VanDerWaalsContact C-N 3.27Å; E190-S192 PolarHBondContact O-N 3.48Å |
| 193 | I | 93.1 | Very high | 94.9 | Very high | 56 Ų | 56 | 69.7 Ų | 69.7 | 29% | 0.287 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -81.8 | -54.9 | 175.3 | -63.6 | 159.7 | 0 | 0 | 0 | 110.3 | I161 Y189 E190 N191 | I161-I193 HydrophobicContact CD1-CG1 4.44Å; I161-I193 HydrophobicContact CD1-CG2 4.05Å; I161-I193 HydrophobicContact CG1-CD1 4.21Å; I161-I193 HydrophobicContact CG1-CG1 4.37Å; I161-I193 HydrophobicContact CG2-CD1 3.78Å; Y189-I193 HydrophobicContact CD1-CD1 3.94Å; Y189-I193 HydrophobicContact CD2-CD1 4.44Å; Y189-I193 HydrophobicContact CE1-CD1 3.51Å; Y189-I193 HydrophobicContact CE2-CD1 4.05Å; Y189-I193 HydrophobicContact CE2-CG1 4.36Å; Y189-I193 HydrophobicContact CG-CD1 4.39Å; Y189-I193 PolarHBondContact O-N 3.33Å; Y189-I193 VanDerWaalsContact O-N 3.13Å; E190-I193 PolarHBondContact O-N 3.22Å; N191-I193 VanDerWaalsContact C-N 3.34Å |
| 194 | N | 92.8 | Very high | 94.8 | Very high | 52 Ų | 52 | 72.5 Ų | 72.5 | 28% | 0.278 | 36% | 0.364 | S | S | . | . | trans | -160.1 | 103 | -178.9 | -178.9 | -14.3 | 0 | 0 | 0 | 110.8 | E190 L196 I197 A198 | E190-N194 PolarHBondContact O-N 3.07Å; N194-L196 PolarHBondContact O-N 3.11Å; N194-L196 VanDerWaalsContact O-N 3.11Å; N194-L196 VanDerWaalsContact OD1-CB 3.32Å; N194-L196 WeakPolarHBondContact OD1-CB 3.37Å; N194-L196 PolarHBondContact OD1-N 3.45Å; N194-I197 HydrophobicContact CB-CD1 3.86Å; N194-I197 HydrophobicContact CB-CG1 3.79Å; N194-I197 PolarHBondContact O-N 2.91Å; N194-A198 WeakPolarHBondContact O-CB 3.4Å; N194-A198 PolarHBondContact O-N 2.88Å | ||
| 195 | P | 93.5 | Very high | 94.7 | Very high | 88 Ų | 88 | 70.6 Ų | 70.6 | 57% | 0.571 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -55.6 | -28.9 | 179.8 | -26.7 | 33.9 | 0 | 0 | 0 | 115 | N191 | N191-P195 WeakPolarHBondContact O-CD 3.41Å; N191-P195 WeakPolarHBondContact O-CG 3.43Å |
| 196 | L | 91.9 | Very high | 94.6 | Very high | 156 Ų | 156 | 70.2 Ų | 70.2 | 82% | 0.817 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.9 | -35.2 | -175.5 | -57.1 | 174.5 | 0 | 0 | 0 | 112.4 | N194 | N194-L196 PolarHBondContact O-N 3.11Å; N194-L196 VanDerWaalsContact O-N 3.11Å; N194-L196 VanDerWaalsContact OD1-CB 3.32Å; N194-L196 WeakPolarHBondContact OD1-CB 3.37Å; N194-L196 PolarHBondContact OD1-N 3.45Å |
| 197 | I | 93.1 | Very high | 94.5 | Very high | 69 Ų | 69 | 79.5 Ų | 79.5 | 35% | 0.354 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -101.8 | -17 | -179.2 | 67.6 | -171.4 | 0 | 0 | 0 | 112.8 | N194 K199 K200 F201 | N194-I197 HydrophobicContact CB-CD1 3.86Å; N194-I197 HydrophobicContact CB-CG1 3.79Å; N194-I197 PolarHBondContact O-N 2.91Å; I197-K199 VanDerWaalsContact C-N 3.27Å; I197-K199 PolarHBondContact O-N 3.05Å; I197-K200 WeakPolarHBondContact O-CB 3.43Å; I197-K200 PolarHBondContact O-N 3.49Å; I197-F201 HydrophobicContact CB-CD2 4.34Å; I197-F201 HydrophobicContact CB-CE2 4.19Å; I197-F201 HydrophobicContact CD1-CE2 3.94Å; I197-F201 HydrophobicContact CG1-CD2 4.17Å; I197-F201 HydrophobicContact CG1-CE2 3.98Å; I197-F201 WeakPolarHBondContact O-CD2 3.44Å; I197-F201 PolarHBondContact O-N 3.22Å |
| 198 | A | 94 | Very high | 94.5 | Very high | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -55.2 | -40.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E190 N191 N194 K200 F201 T202 | E190-A198 HydrophobicContact CB-CB 3.87Å; N191-A198 HydrophobicContact CB-CB 4.37Å; N194-A198 WeakPolarHBondContact O-CB 3.4Å; N194-A198 PolarHBondContact O-N 2.88Å; A198-K200 PolarHBondContact O-N 3.01Å; A198-F201 PolarHBondContact O-N 2.87Å; A198-T202 WeakPolarHBondContact O-CB 3.26Å; A198-T202 WeakPolarHBondContact O-CG2 3.42Å; A198-T202 PolarHBondContact O-N 3.44Å; A198-T202 PolarHBondContact O-OG1 2.94Å |
| 199 | K | 93.3 | Very high | 94.5 | Very high | 146 Ų | 146 | 75.6 Ų | 75.6 | 64% | 0.635 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.8 | -44.7 | 176.2 | -171.2 | -176.4 | 174.8 | -171 | 0 | 111.7 | I197 T202 E203 | I197-K199 VanDerWaalsContact C-N 3.27Å; I197-K199 PolarHBondContact O-N 3.05Å; K199-T202 PolarHBondContact O-N 3.42Å; K199-T202 PolarHBondContact O-OG1 3.1Å; K199-T202 VanDerWaalsContact O-OG1 3.1Å; K199-E203 WeakPolarHBondContact O-CB 3.26Å; K199-E203 PolarHBondContact O-N 3.38Å |
| 200 | K | 94.6 | Very high | 94.6 | Very high | 132 Ų | 132 | 79.7 Ų | 79.7 | 57% | 0.574 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.6 | -52.4 | 179.4 | 179.4 | 178 | 170.6 | 178.2 | 0 | 111.6 | I197 A198 T202 E203 E204 | I197-K200 WeakPolarHBondContact O-CB 3.43Å; I197-K200 PolarHBondContact O-N 3.49Å; A198-K200 PolarHBondContact O-N 3.01Å; K200-T202 VanDerWaalsContact C-N 3.32Å; K200-T202 PolarHBondContact O-N 3.23Å; K200-E203 PolarHBondContact O-N 2.85Å; K200-E204 WeakPolarHBondContact CE-OE1 2.9Å; K200-E204 HydrophobicContact CG-CG 4.45Å; K200-E204 IonicContact NZ-OE1 3.81Å; K200-E204 WeakPolarHBondContact O-CB 3.35Å; K200-E204 WeakPolarHBondContact O-CG 3.32Å; K200-E204 PolarHBondContact O-N 2.74Å |
| 201 | F | 93.6 | Very high | 94.6 | Very high | 58 Ų | 58 | 82 Ų | 82 | 25% | 0.254 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.9 | -35.3 | -178.7 | -74.3 | -62 | 0 | 0 | 0 | 113.5 | I197 A198 R205 | I197-F201 HydrophobicContact CB-CD2 4.34Å; I197-F201 HydrophobicContact CB-CE2 4.19Å; I197-F201 HydrophobicContact CD1-CE2 3.94Å; I197-F201 HydrophobicContact CG1-CD2 4.17Å; I197-F201 HydrophobicContact CG1-CE2 3.98Å; I197-F201 WeakPolarHBondContact O-CD2 3.44Å; I197-F201 PolarHBondContact O-N 3.22Å; A198-F201 PolarHBondContact O-N 2.87Å; F201-R205 PolarHBondContact O-N 2.9Å |
| 202 | T | 94.2 | Very high | 94.7 | Very high | 22 Ų | 22 | 78.3 Ų | 78.3 | 14% | 0.135 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -74.2 | -38.4 | 176.2 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | W183 Y186 C187 A198 K199 K200 R205 S206 | W183-T202 WeakPolarHBondContact CH2-O 3.35Å; Y186-T202 HydrophobicContact CE1-CG2 4.4Å; C187-T202 HydrophobicContact CB-CG2 4.29Å; A198-T202 WeakPolarHBondContact O-CB 3.26Å; A198-T202 WeakPolarHBondContact O-CG2 3.42Å; A198-T202 PolarHBondContact O-N 3.44Å; A198-T202 PolarHBondContact O-OG1 2.94Å; K199-T202 PolarHBondContact O-N 3.42Å; K199-T202 PolarHBondContact O-OG1 3.1Å; K199-T202 VanDerWaalsContact O-OG1 3.1Å; K200-T202 VanDerWaalsContact C-N 3.32Å; K200-T202 PolarHBondContact O-N 3.23Å; T202-R205 PolarHBondContact O-N 3.21Å; T202-S206 WeakPolarHBondContact O-CB 3.32Å; T202-S206 PolarHBondContact O-N 3.14Å |
| 203 | E | 94.6 | Very high | 94.8 | Very high | 127 Ų | 127 | 78 Ų | 78 | 59% | 0.593 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.5 | -44.2 | 176.1 | -170.6 | 163.8 | -176.6 | 0 | 0 | 111.8 | K199 K200 R205 S206 | K199-E203 WeakPolarHBondContact O-CB 3.26Å; K199-E203 PolarHBondContact O-N 3.38Å; K200-E203 PolarHBondContact O-N 2.85Å; E203-R205 VanDerWaalsContact C-N 3.28Å; E203-R205 PolarHBondContact O-N 3.4Å; E203-S206 WeakPolarHBondContact O-CB 3.26Å; E203-S206 PolarHBondContact O-N 2.74Å |
| 204 | E | 95.2 | Very high | 95 | Very high | 97 Ų | 97 | 79.8 Ų | 79.8 | 45% | 0.453 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.7 | -38.8 | 176.5 | -77.4 | 172.4 | 173.7 | 0 | 0 | 113.2 | K200 | K200-E204 WeakPolarHBondContact CE-OE1 2.9Å; K200-E204 HydrophobicContact CG-CG 4.45Å; K200-E204 IonicContact NZ-OE1 3.81Å; K200-E204 WeakPolarHBondContact O-CB 3.35Å; K200-E204 WeakPolarHBondContact O-CG 3.32Å; K200-E204 PolarHBondContact O-N 2.74Å |
| 205 | R | 95.3 | Very high | 95.3 | Very high | 88 Ų | 88 | 77.3 Ų | 77.3 | 33% | 0.332 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -95.5 | -5.7 | -178.4 | -63.1 | -56.6 | -167.6 | 178.2 | 1.6 | 114.9 | Q169 I172 W183 F201 T202 E203 R207 D208 Y209 | Q169-R205 HydrophobicContact CG-CG 4.46Å; Q169-R205 VanDerWaalsContact OE1-NH2 3.12Å; I172-R205 HydrophobicContact CD1-CB 3.71Å; I172-R205 HydrophobicContact CD1-CG 4.19Å; W183-R205 HydrophobicContact CZ3-CB 4.24Å; F201-R205 PolarHBondContact O-N 2.9Å; T202-R205 PolarHBondContact O-N 3.21Å; E203-R205 VanDerWaalsContact C-N 3.28Å; E203-R205 PolarHBondContact O-N 3.4Å; R205-R207 VanDerWaalsContact C-N 3.32Å; R205-R207 PolarHBondContact O-N 3.23Å; R205-D208 IonicContact NH1-OD2 3.33Å; R205-D208 PolarHBondContact NH1-OD2 3.37Å; R205-D208 PolarHBondContact O-N 3.37Å; R205-Y209 PolarHBondContact O-N 3.42Å; R205-Y209 VanDerWaalsContact O-N 3.11Å |
| 206 | S | 95.5 | Very high | 95.5 | Very high | 49 Ų | 49 | 73.5 Ų | 73.5 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.4 | -38.3 | -174.5 | -172.3 | 0 | 0 | 0 | 0 | 112.7 | T202 E203 M210 | T202-S206 WeakPolarHBondContact O-CB 3.32Å; T202-S206 PolarHBondContact O-N 3.14Å; E203-S206 WeakPolarHBondContact O-CB 3.26Å; E203-S206 PolarHBondContact O-N 2.74Å; S206-M210 WeakPolarHBondContact O-CB 3.42Å; S206-M210 VanDerWaalsContact O-CG 3.25Å; S206-M210 WeakPolarHBondContact O-CG 3.49Å; S206-M210 PolarHBondContact O-N 3.17Å |
| 207 | R | 95.5 | Very high | 95.7 | Very high | 195 Ų | 195 | 71.5 Ų | 71.5 | 74% | 0.736 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.7 | -49.3 | 179 | -170 | -174.1 | -61.5 | 110 | -0.3 | 111.8 | R205 M210 N211 | R205-R207 VanDerWaalsContact C-N 3.32Å; R205-R207 PolarHBondContact O-N 3.23Å; R207-M210 PolarHBondContact O-N 2.97Å; R207-N211 PolarHBondContact O-N 3.01Å |
| 208 | D | 95.2 | Very high | 95.9 | Very high | 58 Ų | 58 | 71.3 Ų | 71.3 | 31% | 0.31 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | -177.9 | -49.7 | -22 | 0 | 0 | 0 | 110.5 | V173 R205 M210 N211 A212 | V173-D208 HydrophobicContact CG1-CB 3.68Å; R205-D208 IonicContact NH1-OD2 3.33Å; R205-D208 PolarHBondContact NH1-OD2 3.37Å; R205-D208 PolarHBondContact O-N 3.37Å; D208-M210 PolarHBondContact O-N 3.25Å; D208-N211 WeakPolarHBondContact O-CB 3.43Å; D208-N211 PolarHBondContact O-N 3.27Å; D208-A212 PolarHBondContact O-N 3.5Å |
| 209 | Y | 97.1 | Very high | 96.1 | Very high | 13 Ų | 13 | 71.5 Ų | 71.5 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 173.6 | 161.6 | -107.8 | 0 | 0 | 0 | 112.5 | I179 W183 R205 N211 A212 R213 | I179-Y209 HydrophobicContact CD1-CD2 4.45Å; I179-Y209 HydrophobicContact CG1-CD2 4.32Å; I179-Y209 HydrophobicContact CG1-CE2 4.2Å; W183-Y209 HydrophobicContact CB-CD2 3.78Å; W183-Y209 HydrophobicContact CB-CE1 4.2Å; W183-Y209 HydrophobicContact CB-CE2 3.35Å; W183-Y209 HydrophobicContact CB-CG 4.36Å; W183-Y209 AromaticContact CD1-CD1 3.98Å; W183-Y209 AromaticContact CD1-CE1 3.42Å; W183-Y209 VanDerWaalsContact CD1-CE1 3.42Å; W183-Y209 AromaticContact CD1-CZ 3.53Å; W183-Y209 AromaticContact CD2-CD1 3.49Å; W183-Y209 HydrophobicContact CD2-CD1 3.49Å; W183-Y209 VanDerWaalsContact CD2-CD1 3.49Å; W183-Y209 AromaticContact CD2-CD2 3.9Å; W183-Y209 HydrophobicContact CD2-CD2 3.9Å; W183-Y209 AromaticContact CD2-CE1 3.75Å; W183-Y209 HydrophobicContact CD2-CE1 3.75Å; W183-Y209 HydrophobicContact CD2-CE2 4.15Å; W183-Y209 AromaticContact CD2-CG 3.55Å; W183-Y209 HydrophobicContact CD2-CG 3.55Å; W183-Y209 AromaticContact CE2-CD1 3.58Å; W183-Y209 AromaticContact CE2-CE1 3.82Å; W183-Y209 AromaticContact CE3-CD1 3.91Å; W183-Y209 HydrophobicContact CE3-CD1 3.91Å; W183-Y209 AromaticContact CE3-CD2 3.93Å; W183-Y209 HydrophobicContact CE3-CD2 3.93Å; W183-Y209 AromaticContact CE3-CG 3.54Å; W183-Y209 HydrophobicContact CE3-CG 3.54Å; W183-Y209 AromaticContact CG-CD1 3.77Å; W183-Y209 HydrophobicContact CG-CD1 3.77Å; W183-Y209 AromaticContact CG-CD2 3.85Å; W183-Y209 HydrophobicContact CG-CD2 3.85Å; W183-Y209 AromaticContact CG-CE1 3.52Å; W183-Y209 HydrophobicContact CG-CE1 3.52Å; W183-Y209 AromaticContact CG-CE2 3.6Å; W183-Y209 HydrophobicContact CG-CE2 3.6Å; W183-Y209 AromaticContact CG-CG 3.92Å; W183-Y209 HydrophobicContact CG-CG 3.92Å; W183-Y209 AromaticContact CG-CZ 3.41Å; W183-Y209 VanDerWaalsContact CG-CZ 3.41Å; W183-Y209 HydrophobicContact CH2-CD1 4.45Å; W183-Y209 HydrophobicContact CZ2-CD1 4.09Å; W183-Y209 HydrophobicContact CZ3-CD1 4.37Å; W183-Y209 HydrophobicContact CZ3-CG 4.08Å; W183-Y209 AromaticContact NE1-CD1 3.87Å; W183-Y209 AromaticContact NE1-CE1 3.6Å; R205-Y209 PolarHBondContact O-N 3.42Å; R205-Y209 VanDerWaalsContact O-N 3.11Å; Y209-N211 VanDerWaalsContact C-N 3.29Å; Y209-N211 PolarHBondContact O-N 3.46Å; Y209-A212 PolarHBondContact O-N 3.19Å; Y209-R213 HydrophobicContact CE2-CB 4.19Å; Y209-R213 WeakPolarHBondContact O-CB 3.3Å; Y209-R213 PolarHBondContact O-N 2.96Å; Y209-R213 WeakPolarHBondContact OH-CD 3.24Å |
| 210 | M | 97.1 | Very high | 96.2 | Very high | 102 Ų | 102 | 69.3 Ų | 69.3 | 50% | 0.502 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.5 | -34.1 | 178.9 | -73.6 | -70 | -76 | 0 | 0 | 112.1 | S206 R207 D208 R214 | S206-M210 WeakPolarHBondContact O-CB 3.42Å; S206-M210 VanDerWaalsContact O-CG 3.25Å; S206-M210 WeakPolarHBondContact O-CG 3.49Å; S206-M210 PolarHBondContact O-N 3.17Å; R207-M210 PolarHBondContact O-N 2.97Å; D208-M210 PolarHBondContact O-N 3.25Å; M210-R214 PolarHBondContact O-N 3.22Å |
| 211 | N | 97 | Very high | 96.3 | Very high | 50 Ų | 50 | 68.3 Ų | 68.3 | 27% | 0.267 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.6 | -52.6 | 172.2 | -167.7 | 38.5 | 0 | 0 | 0 | 111.3 | R207 D208 Y209 R213 R214 V215 L260 | R207-N211 PolarHBondContact O-N 3.01Å; D208-N211 WeakPolarHBondContact O-CB 3.43Å; D208-N211 PolarHBondContact O-N 3.27Å; Y209-N211 VanDerWaalsContact C-N 3.29Å; Y209-N211 PolarHBondContact O-N 3.46Å; N211-R213 VanDerWaalsContact C-N 3.3Å; N211-R213 PolarHBondContact O-N 2.96Å; N211-R214 WeakPolarHBondContact O-CB 3.41Å; N211-R214 PolarHBondContact O-N 2.99Å; N211-R214 VanDerWaalsContact O-N 3.16Å; N211-R214 VanDerWaalsContact OD1-CZ 3.26Å; N211-R214 PolarHBondContact OD1-NH1 2.94Å; N211-R214 PolarHBondContact OD1-NH2 3Å; N211-V215 PolarHBondContact O-N 3.08Å; N211-V215 VanDerWaalsContact O-N 3.15Å; N211-L260 PolarHBondContact ND2-O 3.12Å |
| 212 | A | 97.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P175 I179 D208 Y209 V215 A216 | P175-A212 HydrophobicContact CG-CB 4.37Å; I179-A212 HydrophobicContact CD1-CB 3.72Å; D208-A212 PolarHBondContact O-N 3.5Å; Y209-A212 PolarHBondContact O-N 3.19Å; A212-V215 PolarHBondContact O-N 2.77Å; A212-A216 WeakPolarHBondContact O-CB 3.37Å; A212-A216 PolarHBondContact O-N 3.49Å |
| 213 | R | 97.6 | Very high | 96.5 | Very high | 79 Ų | 79 | 66.3 Ų | 66.3 | 30% | 0.298 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 174.9 | -175.1 | -166.5 | -179.1 | -163 | 1.1 | 112.6 | I179 E180 Y209 N211 K217 | I179-R213 HydrophobicContact CG2-CG 4.47Å; E180-R213 HydrophobicContact CG-CG 4.28Å; E180-R213 IonicContact OE1-CZ 2.87Å; E180-R213 IonicContact OE1-NE 3.69Å; E180-R213 PolarHBondContact OE1-NE 3.37Å; E180-R213 IonicContact OE1-NH2 3.65Å; E180-R213 PolarHBondContact OE1-NH2 3.34Å; Y209-R213 HydrophobicContact CE2-CB 4.19Å; Y209-R213 WeakPolarHBondContact O-CB 3.3Å; Y209-R213 PolarHBondContact O-N 2.96Å; Y209-R213 WeakPolarHBondContact OH-CD 3.24Å; N211-R213 VanDerWaalsContact C-N 3.3Å; N211-R213 PolarHBondContact O-N 2.96Å; R213-K217 PolarHBondContact O-N 3.1Å |
| 214 | R | 97.7 | Very high | 96.4 | Very high | 94 Ų | 94 | 69 Ų | 69 | 36% | 0.355 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.6 | -52.6 | 174.4 | -172.1 | -161.7 | 64.8 | -105.2 | -3.1 | 109.8 | M210 N211 A216 K217 E218 P259 | M210-R214 PolarHBondContact O-N 3.22Å; N211-R214 WeakPolarHBondContact O-CB 3.41Å; N211-R214 PolarHBondContact O-N 2.99Å; N211-R214 VanDerWaalsContact O-N 3.16Å; N211-R214 VanDerWaalsContact OD1-CZ 3.26Å; N211-R214 PolarHBondContact OD1-NH1 2.94Å; N211-R214 PolarHBondContact OD1-NH2 3Å; R214-A216 VanDerWaalsContact C-N 3.28Å; R214-A216 PolarHBondContact O-N 3.15Å; R214-K217 PolarHBondContact O-N 3.4Å; R214-K217 VanDerWaalsContact O-N 3.09Å; R214-E218 WeakPolarHBondContact CD-OE1 3.44Å; R214-E218 WeakPolarHBondContact CG-OE1 3.41Å; R214-E218 IonicContact NE-OE1 3.22Å; R214-E218 PolarHBondContact NE-OE1 2.95Å; R214-E218 PolarHBondContact O-N 2.99Å; R214-P259 PolarHBondContact NH2-O 3.23Å |
| 215 | V | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.9 | -34.1 | -179.9 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | P175 N211 A212 K217 E218 Y219 W254 P259 L260 | P175-V215 HydrophobicContact CB-CB 4.28Å; P175-V215 HydrophobicContact CB-CG1 3.96Å; P175-V215 HydrophobicContact CG-CB 3.99Å; P175-V215 HydrophobicContact CG-CG1 3.72Å; N211-V215 PolarHBondContact O-N 3.08Å; N211-V215 VanDerWaalsContact O-N 3.15Å; A212-V215 PolarHBondContact O-N 2.77Å; V215-K217 VanDerWaalsContact C-N 3.28Å; V215-K217 PolarHBondContact O-N 2.94Å; V215-E218 PolarHBondContact O-N 3.23Å; V215-Y219 VanDerWaalsContact O-CB 3.27Å; V215-Y219 WeakPolarHBondContact O-CB 3.44Å; V215-Y219 PolarHBondContact O-N 3.43Å; V215-W254 HydrophobicContact CG1-CH2 3.78Å; V215-W254 HydrophobicContact CG1-CZ2 4.01Å; V215-P259 HydrophobicContact CG1-CB 4.08Å; V215-P259 HydrophobicContact CG1-CG 4.04Å; V215-P259 HydrophobicContact CG2-CB 4.27Å; V215-P259 WeakPolarHBondContact CG2-O 3.37Å; V215-L260 HydrophobicContact CB-CD2 4.22Å; V215-L260 HydrophobicContact CG1-CD2 4.33Å; V215-L260 HydrophobicContact CG1-CG 4.39Å; V215-L260 HydrophobicContact CG2-CD2 3.97Å; V215-L260 HydrophobicContact CG2-CG 4.39Å |
| 216 | A | 97.5 | Very high | 96.3 | Very high | 7 Ų | 7 | 63 Ų | 63 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.1 | -35.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P175 I179 A212 R214 E220 | P175-A216 HydrophobicContact CB-CB 4.13Å; I179-A216 HydrophobicContact CG2-CB 4.18Å; A212-A216 WeakPolarHBondContact O-CB 3.37Å; A212-A216 PolarHBondContact O-N 3.49Å; R214-A216 VanDerWaalsContact C-N 3.28Å; R214-A216 PolarHBondContact O-N 3.15Å; A216-E220 PolarHBondContact O-N 3.2Å; A216-E220 VanDerWaalsContact O-N 3.08Å |
| 217 | K | 97 | Very high | 96.1 | Very high | 114 Ų | 114 | 61.9 Ų | 61.9 | 50% | 0.496 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -73 | -41.2 | 175.8 | -65.4 | -177.2 | 178.2 | -171.1 | 0 | 111.9 | R213 R214 V215 Y219 E220 V221 | R213-K217 PolarHBondContact O-N 3.1Å; R214-K217 PolarHBondContact O-N 3.4Å; R214-K217 VanDerWaalsContact O-N 3.09Å; V215-K217 VanDerWaalsContact C-N 3.28Å; V215-K217 PolarHBondContact O-N 2.94Å; K217-Y219 VanDerWaalsContact C-N 3.32Å; K217-E220 PolarHBondContact O-N 2.75Å; K217-V221 WeakPolarHBondContact O-CG2 3.49Å; K217-V221 PolarHBondContact O-N 3.28Å; K217-V221 VanDerWaalsContact O-N 3.15Å |
| 218 | E | 97.3 | Very high | 95.8 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 31% | 0.308 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 173.2 | -64.3 | 171 | -141.7 | 0 | 0 | 111 | R214 V215 E220 V221 I222 W254 | R214-E218 WeakPolarHBondContact CD-OE1 3.44Å; R214-E218 WeakPolarHBondContact CG-OE1 3.41Å; R214-E218 IonicContact NE-OE1 3.22Å; R214-E218 PolarHBondContact NE-OE1 2.95Å; R214-E218 PolarHBondContact O-N 2.99Å; V215-E218 PolarHBondContact O-N 3.23Å; E218-E220 PolarHBondContact O-N 3.21Å; E218-V221 PolarHBondContact O-N 2.88Å; E218-I222 PolarHBondContact O-N 2.96Å; E218-W254 HydrophobicContact CB-CZ2 3.57Å |
| 219 | Y | 97.2 | Very high | 95.5 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 177.9 | -168.8 | -164.5 | 0 | 0 | 0 | 112.8 | L133 V215 K217 I222 T223 Y251 W254 | L133-Y219 HydrophobicContact CB-CD1 4.15Å; L133-Y219 HydrophobicContact CB-CE1 3.69Å; L133-Y219 HydrophobicContact CD1-CD1 3.52Å; L133-Y219 HydrophobicContact CD1-CE1 3.98Å; L133-Y219 HydrophobicContact CD1-CG 3.92Å; L133-Y219 HydrophobicContact CG-CD1 4.37Å; L133-Y219 HydrophobicContact CG-CE1 4.41Å; V215-Y219 VanDerWaalsContact O-CB 3.27Å; V215-Y219 WeakPolarHBondContact O-CB 3.44Å; V215-Y219 PolarHBondContact O-N 3.43Å; K217-Y219 VanDerWaalsContact C-N 3.32Å; Y219-I222 HydrophobicContact CD2-CG2 4.33Å; Y219-T223 HydrophobicContact CD2-CG2 3.66Å; Y219-T223 HydrophobicContact CE2-CG2 3.56Å; Y219-T223 WeakPolarHBondContact O-CB 3.47Å; Y219-T223 WeakPolarHBondContact O-CG2 3.46Å; Y219-T223 PolarHBondContact O-N 2.94Å; Y219-T223 PolarHBondContact O-OG1 2.88Å; Y219-Y251 AromaticContact CD2-CE2 3.91Å; Y219-Y251 HydrophobicContact CD2-CE2 3.91Å; Y219-Y251 HydrophobicContact CE2-CD2 4.33Å; Y219-Y251 AromaticContact CE2-CE2 3.41Å; Y219-Y251 HydrophobicContact CE2-CE2 3.41Å; Y219-Y251 VanDerWaalsContact CE2-CE2 3.41Å; Y219-Y251 AromaticContact CE2-CZ 3.64Å; Y219-Y251 WeakPolarHBondContact CE2-OH 3.44Å; Y219-Y251 PolarHBondContact OH-OH 3.43Å; Y219-W254 HydrophobicContact CD2-CH2 4.28Å; Y219-W254 AromaticContact CD2-CZ3 3.79Å; Y219-W254 HydrophobicContact CD2-CZ3 3.79Å; Y219-W254 HydrophobicContact CG-CH2 4.11Å; Y219-W254 HydrophobicContact CG-CZ3 4.07Å |
| 220 | E | 96.4 | Very high | 95.2 | Very high | 100 Ų | 100 | 58.7 Ų | 58.7 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.5 | -47 | 172.2 | -174.5 | -176.2 | 172.6 | 0 | 0 | 111.2 | L177 A216 K217 E218 K224 | L177-E220 HydrophobicContact CD2-CB 4.32Å; L177-E220 HydrophobicContact CD2-CG 4.1Å; A216-E220 PolarHBondContact O-N 3.2Å; A216-E220 VanDerWaalsContact O-N 3.08Å; K217-E220 PolarHBondContact O-N 2.75Å; E218-E220 PolarHBondContact O-N 3.21Å; E220-K224 PolarHBondContact O-N 2.91Å |
| 221 | V | 96.7 | Very high | 94.9 | Very high | 111 Ų | 111 | 54.6 Ų | 54.6 | 67% | 0.673 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.6 | -48.6 | -179.2 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | K217 E218 T223 K224 | K217-V221 WeakPolarHBondContact O-CG2 3.49Å; K217-V221 PolarHBondContact O-N 3.28Å; K217-V221 VanDerWaalsContact O-N 3.15Å; E218-V221 PolarHBondContact O-N 2.88Å; V221-T223 VanDerWaalsContact C-N 3.29Å; V221-T223 PolarHBondContact O-N 2.8Å; V221-K224 PolarHBondContact O-N 3.44Å |
| 222 | I | 95.9 | Very high | 94.8 | Very high | 32 Ų | 32 | 52.3 Ų | 52.3 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.3 | -29.3 | -175.1 | -156.9 | 65 | 0 | 0 | 0 | 112.6 | E218 Y219 K250 Y251 W254 | E218-I222 PolarHBondContact O-N 2.96Å; Y219-I222 HydrophobicContact CD2-CG2 4.33Å; I222-K250 HydrophobicContact CD1-CD 4.03Å; I222-K250 HydrophobicContact CD1-CG 4Å; I222-Y251 HydrophobicContact CG2-CD2 3.95Å; I222-W254 HydrophobicContact CB-CD2 4.5Å; I222-W254 HydrophobicContact CG1-CB 4.05Å; I222-W254 HydrophobicContact CG1-CD2 4.48Å; I222-W254 HydrophobicContact CG1-CG 4.15Å; I222-W254 HydrophobicContact CG2-CD2 4.01Å; I222-W254 HydrophobicContact CG2-CE3 3.76Å; I222-W254 HydrophobicContact CG2-CZ3 4.14Å |
| 223 | T | 95.4 | Very high | 94.6 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -98.1 | -2.6 | -177 | 64 | 0 | 0 | 0 | 0 | 115.1 | Y219 V221 G225 L226 R228 Y251 | Y219-T223 HydrophobicContact CD2-CG2 3.66Å; Y219-T223 HydrophobicContact CE2-CG2 3.56Å; Y219-T223 WeakPolarHBondContact O-CB 3.47Å; Y219-T223 WeakPolarHBondContact O-CG2 3.46Å; Y219-T223 PolarHBondContact O-N 2.94Å; Y219-T223 PolarHBondContact O-OG1 2.88Å; V221-T223 VanDerWaalsContact C-N 3.29Å; V221-T223 PolarHBondContact O-N 2.8Å; T223-G225 PolarHBondContact O-N 3.02Å; T223-G225 VanDerWaalsContact O-N 3.11Å; T223-L226 HydrophobicContact CG2-CD1 3.84Å; T223-L226 WeakPolarHBondContact O-CB 3.3Å; T223-L226 PolarHBondContact O-N 3.44Å; T223-L226 VanDerWaalsContact O-N 3.08Å; T223-R228 PolarHBondContact OG1-NH2 3.47Å; T223-Y251 HydrophobicContact CG2-CD1 4.35Å; T223-Y251 HydrophobicContact CG2-CD2 3.85Å; T223-Y251 HydrophobicContact CG2-CE2 4.07Å; T223-Y251 HydrophobicContact CG2-CG 4.04Å |
| 224 | K | 93 | Very high | 94.4 | Very high | 183 Ų | 183 | 51.5 Ų | 51.5 | 80% | 0.796 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -27.2 | -175.1 | -170.3 | 174.4 | -179.8 | 178.2 | 0 | 114.6 | E220 V221 | E220-K224 PolarHBondContact O-N 2.91Å; V221-K224 PolarHBondContact O-N 3.44Å |
| 225 | G | 92.9 | Very high | 94.1 | Very high | 41 Ų | 41 | 49.9 Ų | 49.9 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | T223 Q244 | T223-G225 PolarHBondContact O-N 3.02Å; T223-G225 VanDerWaalsContact O-N 3.11Å; G225-Q244 PolarHBondContact O-NE2 3.49Å |
| 226 | L | 95.1 | Very high | 93.7 | Very high | 18 Ų | 18 | 54.9 Ų | 54.9 | 9% | 0.094 | 29% | 0.293 | C | S | . | . | trans | -84.1 | 126.5 | -172.3 | -64.9 | 179 | 0 | 0 | 0 | 113 | T223 R228 L247 W248 Y251 | T223-L226 HydrophobicContact CG2-CD1 3.84Å; T223-L226 WeakPolarHBondContact O-CB 3.3Å; T223-L226 PolarHBondContact O-N 3.44Å; T223-L226 VanDerWaalsContact O-N 3.08Å; L226-R228 HydrophobicContact CB-CG 4.35Å; L226-R228 PolarHBondContact O-N 3.31Å; L226-L247 HydrophobicContact CD2-CB 3.56Å; L226-W248 HydrophobicContact CB-CZ2 4.33Å; L226-W248 HydrophobicContact CD1-CD2 4.22Å; L226-W248 HydrophobicContact CD1-CE3 3.95Å; L226-W248 HydrophobicContact CD1-CH2 4.25Å; L226-W248 HydrophobicContact CD1-CZ2 4.5Å; L226-W248 HydrophobicContact CD1-CZ3 3.97Å; L226-W248 HydrophobicContact CD2-CB 4.43Å; L226-W248 HydrophobicContact CD2-CD2 3.8Å; L226-W248 HydrophobicContact CD2-CE3 4.33Å; L226-W248 HydrophobicContact CD2-CG 3.83Å; L226-Y251 HydrophobicContact CD1-CD1 3.83Å; L226-Y251 HydrophobicContact CD1-CG 4.13Å | ||
| 227 | S | 91.4 | Very high | 93.1 | Very high | 26 Ų | 26 | 61.4 Ų | 61.4 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | trans | -83.6 | 70.8 | 177.1 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | T229 M230 Y240 Q244 C282 | S227-T229 PolarHBondContact O-N 3.43Å; S227-M230 WeakPolarHBondContact O-CB 3.36Å; S227-M230 PolarHBondContact O-N 3.32Å; S227-M230 VanDerWaalsContact O-N 3.08Å; S227-Y240 PolarHBondContact OG-OH 3Å; S227-Q244 VanDerWaalsContact CB-OE1 3.25Å; S227-Q244 PolarHBondContact OG-OE1 3.3Å; S227-C282 PolarHBondContact O-SG 3.41Å | ||
| 228 | R | 90.2 | Very high | 92.9 | Very high | 59 Ų | 59 | 58.5 Ų | 58.5 | 22% | 0.223 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -3.2 | -176.2 | -50.2 | -175.1 | -163.3 | 174.6 | 4.9 | 116.1 | D132 L133 T223 L226 W248 | D132-R228 IonicContact OD2-NH1 2.71Å; L133-R228 VanDerWaalsContact CD2-NH2 3.28Å; T223-R228 PolarHBondContact OG1-NH2 3.47Å; L226-R228 HydrophobicContact CB-CG 4.35Å; L226-R228 PolarHBondContact O-N 3.31Å; R228-W248 HydrophobicContact CG-CH2 4.42Å |
| 229 | T | 88.6 | Confident | 92.7 | Very high | 106 Ų | 106 | 60.9 Ų | 60.9 | 65% | 0.65 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | 5.1 | 178.9 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | S227 P231 | S227-T229 PolarHBondContact O-N 3.43Å; T229-P231 WeakPolarHBondContact O-CD 3.31Å |
| 230 | M | 89.3 | Confident | 92.5 | Very high | 35 Ų | 35 | 67 Ų | 67 | 17% | 0.172 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 125.8 | 176 | -171.6 | 171.6 | 75.9 | 0 | 0 | 110.1 | S227 Y240 C282 L283 | S227-M230 WeakPolarHBondContact O-CB 3.36Å; S227-M230 PolarHBondContact O-N 3.32Å; S227-M230 VanDerWaalsContact O-N 3.08Å; M230-Y240 HydrophobicContact SD-CE1 4.02Å; M230-C282 HydrophobicContact CB-CB 4.39Å; M230-C282 HydrophobicContact CE-CB 4.36Å; M230-C282 WeakPolarHBondContact O-CA 3.33Å; M230-C282 PolarHBondContact O-SG 2.69Å; M230-C282 VanDerWaalsContact O-SG 3.41Å; M230-L283 HydrophobicContact CE-CD2 3.66Å; M230-L283 HydrophobicContact CE-CG 4.49Å |
| 231 | P | 92.1 | Very high | 92.3 | Very high | 16 Ų | 16 | 63.1 Ų | 63.1 | 10% | 0.104 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -65 | 135.9 | 171.7 | -18.8 | 31.6 | 0 | 0 | 0 | 110.7 | I28 F57 Y63 T229 V233 | I28-P231 HydrophobicContact CD1-CB 4.41Å; I28-P231 HydrophobicContact CD1-CG 4.35Å; I28-P231 HydrophobicContact CG2-CG 4.05Å; F57-P231 HydrophobicContact CD1-CB 3.96Å; F57-P231 HydrophobicContact CE1-CB 4.17Å; Y63-P231 HydrophobicContact CE2-CB 4.21Å; Y63-P231 HydrophobicContact CE2-CG 4.14Å; Y63-P231 VanDerWaalsContact OH-CG 3.26Å; Y63-P231 WeakPolarHBondContact OH-CG 3.13Å; T229-P231 WeakPolarHBondContact O-CD 3.31Å; P231-V233 PolarHBondContact O-N 2.88Å |
| 232 | S | 93.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.014 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 127.1 | 175.2 | -169.9 | 0 | 0 | 0 | 0 | 112 | C282 G284 H285 | S232-C282 VanDerWaalsContact CA-O 3.28Å; S232-C282 WeakPolarHBondContact CA-O 3.31Å; S232-G284 PolarHBondContact OG-N 2.91Å; S232-H285 PolarHBondContact O-CE1 3.38Å; S232-H285 PolarHBondContact O-ND1 3.31Å; S232-H285 PolarHBondContact OG-N 3.05Å; S232-H285 PolarHBondContact OG-ND1 3.08Å |
| 233 | V | 93.1 | Very high | 92.2 | Very high | 24 Ų | 24 | 63.6 Ų | 63.6 | 15% | 0.145 | 35% | 0.348 | C | S | . | . | trans | -130.7 | 154.7 | 176.2 | -68.8 | 0 | 0 | 0 | 0 | 109.9 | W26 I28 F57 P231 H285 | W26-V233 HydrophobicContact CB-CB 4.42Å; W26-V233 HydrophobicContact CB-CG1 4.12Å; W26-V233 HydrophobicContact CE3-CG1 4.15Å; I28-V233 HydrophobicContact CD1-CG1 3.85Å; I28-V233 HydrophobicContact CG1-CG1 3.95Å; F57-V233 HydrophobicContact CE1-CG1 4.01Å; P231-V233 PolarHBondContact O-N 2.88Å; V233-H285 WeakPolarHBondContact O-CB 3.39Å | ||
| 234 | P | 93.8 | Very high | 92.2 | Very high | 39 Ų | 39 | 63.9 Ų | 63.9 | 25% | 0.253 | 35% | 0.349 | S | S | . | . | trans | -55.1 | 146.3 | 171.6 | -26.5 | 35.6 | 0 | 0 | 0 | 112.6 | W26 Q236 | W26-P234 HydrophobicContact CD2-CG 3.93Å; W26-P234 VanDerWaalsContact CE2-CD 3.46Å; W26-P234 HydrophobicContact CG-CG 4.18Å; W26-P234 HydrophobicContact CZ2-CG 3.9Å; P234-Q236 PolarHBondContact O-N 3.12Å | ||
| 235 | P | 92.4 | Very high | 92.3 | Very high | 59 Ų | 59 | 56.4 Ų | 56.4 | 38% | 0.383 | 32% | 0.318 | S | S | . | . | trans | -57.9 | 127.8 | -175.9 | -25.2 | 33.4 | 0 | 0 | 0 | 112.7 | E241 | P235-E241 WeakPolarHBondContact CA-OE1 3.47Å; P235-E241 WeakPolarHBondContact CB-OE1 3.36Å | ||
| 236 | Q | 88.2 | Confident | 92.5 | Very high | 105 Ų | 105 | 58.9 Ų | 58.9 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | trans | -110.9 | -2.6 | 176.5 | -67.8 | 178.8 | 19.2 | 0 | 0 | 111.8 | P234 T238 E241 | P234-Q236 PolarHBondContact O-N 3.12Å; Q236-T238 HydrophobicContact CB-CG2 3.95Å; Q236-T238 PolarHBondContact O-N 3.42Å; Q236-E241 WeakPolarHBondContact CA-OE2 3.39Å; Q236-E241 PolarHBondContact N-OE1 2.79Å; Q236-E241 VanDerWaalsContact N-OE1 3.16Å; Q236-E241 PolarHBondContact N-OE2 2.96Å | ||
| 237 | N | 85.7 | Confident | 92.6 | Very high | 145 Ų | 145 | 59.9 Ų | 59.9 | 78% | 0.775 | 32% | 0.324 | S | S | * | . | trans | 54.3 | 33.9 | -175.4 | -65.8 | -26.4 | 0 | 0 | 0 | 112.8 | E241 | N237-E241 PolarHBondContact N-OE1 2.96Å; N237-E241 PolarHBondContact N-OE2 2.9Å; N237-E241 VanDerWaalsContact N-OE2 3.08Å | ||
| 238 | T | 91.5 | Very high | 92.9 | Very high | 53 Ų | 53 | 58.8 Ų | 58.8 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | trans | -70.9 | 148.6 | 173.3 | 68.3 | 0 | 0 | 0 | 0 | 110.2 | Q236 Y240 E241 A242 | Q236-T238 HydrophobicContact CB-CG2 3.95Å; Q236-T238 PolarHBondContact O-N 3.42Å; T238-Y240 PolarHBondContact O-N 3.5Å; T238-E241 PolarHBondContact N-OE2 3.01Å; T238-E241 PolarHBondContact O-N 2.99Å; T238-E241 WeakPolarHBondContact OG1-CB 3.29Å; T238-E241 PolarHBondContact OG1-N 3.46Å; T238-A242 PolarHBondContact O-N 2.98Å | ||
| 239 | P | 93.4 | Very high | 93.2 | Very high | 116 Ų | 116 | 59 Ų | 59 | 75% | 0.753 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.5 | -29.5 | -179.8 | 23.4 | -33.9 | 0 | 0 | 0 | 112.7 | K243 | P239-K243 WeakPolarHBondContact O-CB 3.38Å; P239-K243 PolarHBondContact O-N 2.87Å; P239-K243 VanDerWaalsContact O-N 3.1Å |
| 240 | Y | 92.7 | Very high | 93.7 | Very high | 133 Ų | 133 | 59.9 Ų | 59.9 | 52% | 0.522 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.9 | -47.6 | 174.8 | -178.1 | -96.2 | 0 | 0 | 0 | 112.4 | S227 M230 T238 K243 Q244 | S227-Y240 PolarHBondContact OG-OH 3Å; M230-Y240 HydrophobicContact SD-CE1 4.02Å; T238-Y240 PolarHBondContact O-N 3.5Å; Y240-K243 PolarHBondContact O-N 3.28Å; Y240-Q244 HydrophobicContact CD1-CG 4.33Å; Y240-Q244 HydrophobicContact CE1-CG 3.92Å; Y240-Q244 WeakPolarHBondContact O-CG 3.5Å; Y240-Q244 PolarHBondContact O-N 3.11Å |
| 241 | E | 93.1 | Very high | 94.1 | Very high | 17 Ų | 17 | 58.4 Ų | 58.4 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.7 | -49 | 175.4 | 178 | -161.8 | 148.4 | 0 | 0 | 110.9 | P235 Q236 N237 T238 K243 Q244 V245 H286 | P235-E241 WeakPolarHBondContact CA-OE1 3.47Å; P235-E241 WeakPolarHBondContact CB-OE1 3.36Å; Q236-E241 WeakPolarHBondContact CA-OE2 3.39Å; Q236-E241 PolarHBondContact N-OE1 2.79Å; Q236-E241 VanDerWaalsContact N-OE1 3.16Å; Q236-E241 PolarHBondContact N-OE2 2.96Å; N237-E241 PolarHBondContact N-OE1 2.96Å; N237-E241 PolarHBondContact N-OE2 2.9Å; N237-E241 VanDerWaalsContact N-OE2 3.08Å; T238-E241 PolarHBondContact N-OE2 3.01Å; T238-E241 PolarHBondContact O-N 2.99Å; T238-E241 WeakPolarHBondContact OG1-CB 3.29Å; T238-E241 PolarHBondContact OG1-N 3.46Å; E241-K243 VanDerWaalsContact C-N 3.3Å; E241-K243 PolarHBondContact O-N 2.65Å; E241-Q244 PolarHBondContact O-N 3.25Å; E241-V245 WeakPolarHBondContact O-CG2 3.32Å; E241-V245 PolarHBondContact O-N 2.72Å; E241-H286 IonicContact OE1-CE1 2.79Å; E241-H286 PolarHBondContact OE1-CE1 3.49Å; E241-H286 IonicContact OE1-NE2 3.22Å |
| 242 | A | 94.1 | Very high | 94.4 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.4 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | T238 V245 E246 | T238-A242 PolarHBondContact O-N 2.98Å; A242-V245 PolarHBondContact O-N 3.07Å; A242-E246 PolarHBondContact O-N 3Å |
| 243 | K | 95.6 | Very high | 94.6 | Very high | 99 Ų | 99 | 62.1 Ų | 62.1 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.1 | -35 | 176.1 | -168.8 | 51.8 | 163.2 | -177.5 | 0 | 112.9 | P239 Y240 E241 E246 L247 | P239-K243 WeakPolarHBondContact O-CB 3.38Å; P239-K243 PolarHBondContact O-N 2.87Å; P239-K243 VanDerWaalsContact O-N 3.1Å; Y240-K243 PolarHBondContact O-N 3.28Å; E241-K243 VanDerWaalsContact C-N 3.3Å; E241-K243 PolarHBondContact O-N 2.65Å; K243-E246 WeakPolarHBondContact CD-OE2 3.44Å; K243-E246 WeakPolarHBondContact CE-OE2 3.47Å; K243-E246 IonicContact NZ-OE1 3.47Å; K243-E246 PolarHBondContact NZ-OE1 3.44Å; K243-E246 IonicContact NZ-OE2 2.94Å; K243-E246 PolarHBondContact NZ-OE2 2.97Å; K243-L247 HydrophobicContact CG-CD1 4.49Å; K243-L247 VanDerWaalsContact O-CG 3.28Å; K243-L247 WeakPolarHBondContact O-CG 3.14Å; K243-L247 PolarHBondContact O-N 3.45Å; K243-L247 VanDerWaalsContact O-N 3.1Å |
| 244 | Q | 95.9 | Very high | 94.8 | Very high | 11 Ų | 11 | 62.6 Ų | 62.6 | 5% | 0.051 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 172.8 | -72.3 | -65.3 | -57.1 | 0 | 0 | 111.4 | G225 S227 Y240 E241 E246 L247 W248 | G225-Q244 PolarHBondContact O-NE2 3.49Å; S227-Q244 VanDerWaalsContact CB-OE1 3.25Å; S227-Q244 PolarHBondContact OG-OE1 3.3Å; Y240-Q244 HydrophobicContact CD1-CG 4.33Å; Y240-Q244 HydrophobicContact CE1-CG 3.92Å; Y240-Q244 WeakPolarHBondContact O-CG 3.5Å; Y240-Q244 PolarHBondContact O-N 3.11Å; E241-Q244 PolarHBondContact O-N 3.25Å; Q244-E246 PolarHBondContact O-N 2.88Å; Q244-L247 PolarHBondContact O-N 3.35Å; Q244-W248 WeakPolarHBondContact O-CB 3.37Å; Q244-W248 PolarHBondContact O-N 3.17Å |
| 245 | V | 95.7 | Very high | 95 | Very high | 25 Ų | 25 | 61 Ų | 61 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.8 | -47.2 | 174.2 | 174 | 0 | 0 | 0 | 0 | 110.8 | E241 A242 L247 W248 K249 L283 | E241-V245 WeakPolarHBondContact O-CG2 3.32Å; E241-V245 PolarHBondContact O-N 2.72Å; A242-V245 PolarHBondContact O-N 3.07Å; V245-L247 PolarHBondContact O-N 2.87Å; V245-W248 PolarHBondContact O-N 2.93Å; V245-K249 HydrophobicContact CG1-CD 4.48Å; V245-K249 HydrophobicContact CG1-CG 4.49Å; V245-K249 WeakPolarHBondContact O-CG 3.34Å; V245-K249 PolarHBondContact O-N 3.47Å; V245-L283 HydrophobicContact CB-CD1 4.37Å; V245-L283 HydrophobicContact CG2-CD1 3.8Å; V245-L283 HydrophobicContact CG2-CD2 4.09Å |
| 246 | E | 96.2 | Very high | 95.3 | Very high | 94 Ų | 94 | 61 Ų | 61 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.3 | -49.4 | 176 | -173.5 | -150.7 | 121.8 | 0 | 0 | 111.9 | A242 K243 Q244 W248 K249 K250 | A242-E246 PolarHBondContact O-N 3Å; K243-E246 WeakPolarHBondContact CD-OE2 3.44Å; K243-E246 WeakPolarHBondContact CE-OE2 3.47Å; K243-E246 IonicContact NZ-OE1 3.47Å; K243-E246 PolarHBondContact NZ-OE1 3.44Å; K243-E246 IonicContact NZ-OE2 2.94Å; K243-E246 PolarHBondContact NZ-OE2 2.97Å; Q244-E246 PolarHBondContact O-N 2.88Å; E246-W248 PolarHBondContact O-N 2.97Å; E246-K249 PolarHBondContact O-N 2.65Å; E246-K250 WeakPolarHBondContact O-CB 3.48Å; E246-K250 PolarHBondContact O-N 3.16Å |
| 247 | L | 97.4 | Very high | 95.7 | Very high | 38 Ų | 38 | 61.1 Ų | 61.1 | 20% | 0.199 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 179.4 | -68.8 | 170.3 | 0 | 0 | 0 | 112.3 | L226 K243 Q244 V245 K250 Y251 | L226-L247 HydrophobicContact CD2-CB 3.56Å; K243-L247 HydrophobicContact CG-CD1 4.49Å; K243-L247 VanDerWaalsContact O-CG 3.28Å; K243-L247 WeakPolarHBondContact O-CG 3.14Å; K243-L247 PolarHBondContact O-N 3.45Å; K243-L247 VanDerWaalsContact O-N 3.1Å; Q244-L247 PolarHBondContact O-N 3.35Å; V245-L247 PolarHBondContact O-N 2.87Å; L247-K250 PolarHBondContact O-N 3.44Å; L247-Y251 PolarHBondContact O-N 3.42Å |
| 248 | W | 97.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.011 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 176 | -83.5 | 112.1 | 0 | 0 | 0 | 111.7 | L226 R228 Q244 V245 E246 K250 Y251 I252 Q278 C279 C282 L283 | L226-W248 HydrophobicContact CB-CZ2 4.33Å; L226-W248 HydrophobicContact CD1-CD2 4.22Å; L226-W248 HydrophobicContact CD1-CE3 3.95Å; L226-W248 HydrophobicContact CD1-CH2 4.25Å; L226-W248 HydrophobicContact CD1-CZ2 4.5Å; L226-W248 HydrophobicContact CD1-CZ3 3.97Å; L226-W248 HydrophobicContact CD2-CB 4.43Å; L226-W248 HydrophobicContact CD2-CD2 3.8Å; L226-W248 HydrophobicContact CD2-CE3 4.33Å; L226-W248 HydrophobicContact CD2-CG 3.83Å; R228-W248 HydrophobicContact CG-CH2 4.42Å; Q244-W248 WeakPolarHBondContact O-CB 3.37Å; Q244-W248 PolarHBondContact O-N 3.17Å; V245-W248 PolarHBondContact O-N 2.93Å; E246-W248 PolarHBondContact O-N 2.97Å; W248-K250 VanDerWaalsContact C-N 3.3Å; W248-K250 PolarHBondContact O-N 3.2Å; W248-Y251 AromaticContact CE3-CD1 3.89Å; W248-Y251 HydrophobicContact CE3-CD1 3.89Å; W248-Y251 HydrophobicContact CE3-CE1 4.45Å; W248-Y251 AromaticContact CZ3-CD1 3.88Å; W248-Y251 HydrophobicContact CZ3-CD1 3.88Å; W248-Y251 HydrophobicContact CZ3-CE1 4.03Å; W248-Y251 PolarHBondContact O-N 3Å; W248-I252 WeakPolarHBondContact O-CG1 3.23Å; W248-I252 PolarHBondContact O-N 2.94Å; W248-Q278 HydrophobicContact CH2-CB 3.94Å; W248-Q278 HydrophobicContact CZ3-CB 3.85Å; W248-C279 HydrophobicContact CD2-CB 3.98Å; W248-C279 HydrophobicContact CE3-CB 3.56Å; W248-C279 HydrophobicContact CG-CB 4.46Å; W248-C279 HydrophobicContact CZ3-CB 4.01Å; W248-C282 HydrophobicContact CZ2-CB 4.3Å; W248-L283 HydrophobicContact CB-CD1 4.1Å; W248-L283 VanDerWaalsContact CD1-CD1 3.45Å; W248-L283 HydrophobicContact CG-CD1 3.94Å |
| 249 | K | 97.4 | Very high | 96.6 | Very high | 64 Ų | 64 | 54.2 Ų | 54.2 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 175.2 | -68.6 | -160.7 | -177.6 | -158.1 | 0 | 111.8 | V245 E246 I252 Q253 D288 E292 | V245-K249 HydrophobicContact CG1-CD 4.48Å; V245-K249 HydrophobicContact CG1-CG 4.49Å; V245-K249 WeakPolarHBondContact O-CG 3.34Å; V245-K249 PolarHBondContact O-N 3.47Å; E246-K249 PolarHBondContact O-N 2.65Å; K249-I252 PolarHBondContact O-N 3.11Å; K249-Q253 WeakPolarHBondContact O-CB 3.47Å; K249-Q253 PolarHBondContact O-N 3.42Å; K249-D288 WeakPolarHBondContact CE-OD2 3.38Å; K249-D288 IonicContact NZ-OD2 2.86Å; K249-D288 PolarHBondContact NZ-OD2 2.96Å; K249-E292 IonicContact NZ-OE1 3.41Å; K249-E292 PolarHBondContact NZ-OE1 3.25Å |
| 250 | K | 97.8 | Very high | 96.7 | Very high | 125 Ų | 125 | 49.6 Ų | 49.6 | 54% | 0.543 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 173.8 | -167.2 | -178.5 | -179.2 | 170.9 | 0 | 112.7 | I222 E246 L247 W248 W254 | I222-K250 HydrophobicContact CD1-CD 4.03Å; I222-K250 HydrophobicContact CD1-CG 4Å; E246-K250 WeakPolarHBondContact O-CB 3.48Å; E246-K250 PolarHBondContact O-N 3.16Å; L247-K250 PolarHBondContact O-N 3.44Å; W248-K250 VanDerWaalsContact C-N 3.3Å; W248-K250 PolarHBondContact O-N 3.2Å; K250-W254 WeakPolarHBondContact O-CB 3.45Å; K250-W254 PolarHBondContact O-N 3.04Å |
| 251 | Y | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.5 | -45.3 | 174.5 | 164.6 | -131.2 | 0 | 0 | 0 | 112.1 | Y219 I222 T223 L226 L247 W248 Q253 W254 E255 A275 | Y219-Y251 AromaticContact CD2-CE2 3.91Å; Y219-Y251 HydrophobicContact CD2-CE2 3.91Å; Y219-Y251 HydrophobicContact CE2-CD2 4.33Å; Y219-Y251 AromaticContact CE2-CE2 3.41Å; Y219-Y251 HydrophobicContact CE2-CE2 3.41Å; Y219-Y251 VanDerWaalsContact CE2-CE2 3.41Å; Y219-Y251 AromaticContact CE2-CZ 3.64Å; Y219-Y251 WeakPolarHBondContact CE2-OH 3.44Å; Y219-Y251 PolarHBondContact OH-OH 3.43Å; I222-Y251 HydrophobicContact CG2-CD2 3.95Å; T223-Y251 HydrophobicContact CG2-CD1 4.35Å; T223-Y251 HydrophobicContact CG2-CD2 3.85Å; T223-Y251 HydrophobicContact CG2-CE2 4.07Å; T223-Y251 HydrophobicContact CG2-CG 4.04Å; L226-Y251 HydrophobicContact CD1-CD1 3.83Å; L226-Y251 HydrophobicContact CD1-CG 4.13Å; L247-Y251 PolarHBondContact O-N 3.42Å; W248-Y251 AromaticContact CE3-CD1 3.89Å; W248-Y251 HydrophobicContact CE3-CD1 3.89Å; W248-Y251 HydrophobicContact CE3-CE1 4.45Å; W248-Y251 AromaticContact CZ3-CD1 3.88Å; W248-Y251 HydrophobicContact CZ3-CD1 3.88Å; W248-Y251 HydrophobicContact CZ3-CE1 4.03Å; W248-Y251 PolarHBondContact O-N 3Å; Y251-Q253 VanDerWaalsContact C-N 3.32Å; Y251-Q253 PolarHBondContact O-N 3.1Å; Y251-W254 HydrophobicContact CD2-CE3 4.02Å; Y251-W254 HydrophobicContact CD2-CZ3 4.49Å; Y251-W254 HydrophobicContact CE2-CE3 4.17Å; Y251-W254 HydrophobicContact CE2-CZ3 4.25Å; Y251-W254 PolarHBondContact O-N 2.88Å; Y251-E255 HydrophobicContact CD2-CG 4.27Å; Y251-E255 HydrophobicContact CE2-CG 3.66Å; Y251-E255 PolarHBondContact O-N 3.19Å; Y251-E255 VanDerWaalsContact O-N 3.09Å; Y251-A275 HydrophobicContact CD1-CB 4.24Å; Y251-A275 HydrophobicContact CE1-CB 3.53Å; Y251-A275 HydrophobicContact CE2-CB 4.25Å |
| 252 | I | 98.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.2 | -70.6 | 162 | 0 | 0 | 0 | 110.9 | W248 K249 E255 K256 A275 Y276 C279 | W248-I252 WeakPolarHBondContact O-CG1 3.23Å; W248-I252 PolarHBondContact O-N 2.94Å; K249-I252 PolarHBondContact O-N 3.11Å; I252-E255 PolarHBondContact O-N 3.24Å; I252-K256 HydrophobicContact CG2-CD 4.48Å; I252-K256 WeakPolarHBondContact O-CG 3.49Å; I252-K256 PolarHBondContact O-N 3.08Å; I252-K256 VanDerWaalsContact O-N 3.1Å; I252-A275 HydrophobicContact CG1-CB 4.16Å; I252-Y276 HydrophobicContact CD1-CD1 3.77Å; I252-Y276 HydrophobicContact CD1-CE1 3.82Å; I252-Y276 HydrophobicContact CG1-CD1 4.4Å; I252-Y276 HydrophobicContact CG1-CE1 4.47Å; I252-Y276 HydrophobicContact CG2-CD1 4.39Å; I252-Y276 HydrophobicContact CG2-CD2 4.4Å; I252-Y276 HydrophobicContact CG2-CE1 3.81Å; I252-Y276 HydrophobicContact CG2-CE2 3.8Å; I252-Y276 VanDerWaalsContact CG2-CZ 3.47Å; I252-C279 HydrophobicContact CD1-CB 3.97Å |
| 253 | Q | 98.1 | Very high | 96.8 | Very high | 92 Ų | 92 | 58.8 Ų | 58.8 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 176.2 | -172.7 | 57.9 | 45.2 | 0 | 0 | 111.6 | K249 Y251 E255 K256 D257 | K249-Q253 WeakPolarHBondContact O-CB 3.47Å; K249-Q253 PolarHBondContact O-N 3.42Å; Y251-Q253 VanDerWaalsContact C-N 3.32Å; Y251-Q253 PolarHBondContact O-N 3.1Å; Q253-E255 VanDerWaalsContact C-N 3.29Å; Q253-E255 PolarHBondContact O-N 3.03Å; Q253-K256 CarbonylContact O-C 3.53Å; Q253-K256 WeakPolarHBondContact O-CA 3.39Å; Q253-K256 WeakPolarHBondContact O-CB 3.38Å; Q253-K256 PolarHBondContact O-N 3.34Å; Q253-D257 PolarHBondContact NE2-OD1 2.99Å; Q253-D257 PolarHBondContact O-N 2.94Å |
| 254 | W | 98.2 | Very high | 96.7 | Very high | 34 Ų | 34 | 57 Ų | 57 | 13% | 0.129 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.7 | -35 | 176.8 | 173.9 | 78.5 | 0 | 0 | 0 | 113.1 | V215 E218 Y219 I222 K250 Y251 P259 | V215-W254 HydrophobicContact CG1-CH2 3.78Å; V215-W254 HydrophobicContact CG1-CZ2 4.01Å; E218-W254 HydrophobicContact CB-CZ2 3.57Å; Y219-W254 HydrophobicContact CD2-CH2 4.28Å; Y219-W254 AromaticContact CD2-CZ3 3.79Å; Y219-W254 HydrophobicContact CD2-CZ3 3.79Å; Y219-W254 HydrophobicContact CG-CH2 4.11Å; Y219-W254 HydrophobicContact CG-CZ3 4.07Å; I222-W254 HydrophobicContact CB-CD2 4.5Å; I222-W254 HydrophobicContact CG1-CB 4.05Å; I222-W254 HydrophobicContact CG1-CD2 4.48Å; I222-W254 HydrophobicContact CG1-CG 4.15Å; I222-W254 HydrophobicContact CG2-CD2 4.01Å; I222-W254 HydrophobicContact CG2-CE3 3.76Å; I222-W254 HydrophobicContact CG2-CZ3 4.14Å; K250-W254 WeakPolarHBondContact O-CB 3.45Å; K250-W254 PolarHBondContact O-N 3.04Å; Y251-W254 HydrophobicContact CD2-CE3 4.02Å; Y251-W254 HydrophobicContact CD2-CZ3 4.49Å; Y251-W254 HydrophobicContact CE2-CE3 4.17Å; Y251-W254 HydrophobicContact CE2-CZ3 4.25Å; Y251-W254 PolarHBondContact O-N 2.88Å; W254-P259 HydrophobicContact CD2-CB 4.47Å; W254-P259 HydrophobicContact CD2-CG 4.2Å; W254-P259 HydrophobicContact CE3-CG 4.33Å; W254-P259 HydrophobicContact CH2-CB 4.1Å; W254-P259 HydrophobicContact CH2-CG 3.67Å; W254-P259 HydrophobicContact CZ2-CB 3.42Å; W254-P259 VanDerWaalsContact CZ2-CB 3.42Å; W254-P259 HydrophobicContact CZ2-CG 3.5Å; W254-P259 VanDerWaalsContact CZ2-CG 3.5Å; W254-P259 HydrophobicContact CZ3-CG 4.1Å; W254-P259 WeakPolarHBondContact O-CD 3.49Å |
| 255 | E | 97.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 2% | 0.023 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71 | -36.8 | 171.2 | -71.2 | -72.7 | -175.6 | 0 | 0 | 112.5 | Y251 I252 Q253 D257 N258 R271 V272 A275 | Y251-E255 HydrophobicContact CD2-CG 4.27Å; Y251-E255 HydrophobicContact CE2-CG 3.66Å; Y251-E255 PolarHBondContact O-N 3.19Å; Y251-E255 VanDerWaalsContact O-N 3.09Å; I252-E255 PolarHBondContact O-N 3.24Å; Q253-E255 VanDerWaalsContact C-N 3.29Å; Q253-E255 PolarHBondContact O-N 3.03Å; E255-D257 VanDerWaalsContact C-N 3.27Å; E255-D257 PolarHBondContact O-N 3.39Å; E255-N258 PolarHBondContact O-N 2.64Å; E255-N258 VanDerWaalsContact O-N 3.08Å; E255-R271 IonicContact OE1-CZ 3.4Å; E255-R271 IonicContact OE1-NE 3.48Å; E255-R271 IonicContact OE1-NH2 2.75Å; E255-R271 PolarHBondContact OE1-NH2 3.31Å; E255-R271 IonicContact OE2-CZ 2.98Å; E255-R271 IonicContact OE2-NE 2.74Å; E255-R271 PolarHBondContact OE2-NE 3.41Å; E255-R271 IonicContact OE2-NH2 3.94Å; E255-R271 PolarHBondContact OE2-NH2 3.08Å; E255-V272 HydrophobicContact CB-CG2 3.81Å; E255-A275 HydrophobicContact CG-CB 4.16Å |
| 256 | K | 97.8 | Very high | 96.7 | Very high | 60 Ų | 60 | 58.4 Ų | 58.4 | 26% | 0.261 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.2 | -32.4 | 174.7 | -71.6 | 178.5 | -179.8 | -177.7 | 0 | 112.5 | I252 Q253 N258 V272 Y276 Y296 | I252-K256 HydrophobicContact CG2-CD 4.48Å; I252-K256 WeakPolarHBondContact O-CG 3.49Å; I252-K256 PolarHBondContact O-N 3.08Å; I252-K256 VanDerWaalsContact O-N 3.1Å; Q253-K256 CarbonylContact O-C 3.53Å; Q253-K256 WeakPolarHBondContact O-CA 3.39Å; Q253-K256 WeakPolarHBondContact O-CB 3.38Å; Q253-K256 PolarHBondContact O-N 3.34Å; K256-N258 PolarHBondContact O-N 2.68Å; K256-N258 VanDerWaalsContact O-N 3.1Å; K256-V272 HydrophobicContact CB-CG2 4.43Å; K256-V272 HydrophobicContact CG-CG1 3.74Å; K256-V272 HydrophobicContact CG-CG2 3.86Å; K256-Y276 VanDerWaalsContact CE-OH 3.3Å; K256-Y276 WeakPolarHBondContact CE-OH 3.26Å; K256-Y276 PolarHBondContact NZ-OH 3.19Å; K256-Y296 HydrophobicContact CD-CD2 4.11Å; K256-Y296 HydrophobicContact CD-CE2 4.19Å; K256-Y296 HydrophobicContact CG-CD2 4.22Å; K256-Y296 HydrophobicContact CG-CE2 3.85Å |
| 257 | D | 97.7 | Very high | 96.6 | Very high | 107 Ų | 107 | 56.6 Ų | 56.6 | 57% | 0.572 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 0.4 | 174.3 | -59.6 | -24 | 0 | 0 | 0 | 112.7 | Q253 E255 | Q253-D257 PolarHBondContact NE2-OD1 2.99Å; Q253-D257 PolarHBondContact O-N 2.94Å; E255-D257 VanDerWaalsContact C-N 3.27Å; E255-D257 PolarHBondContact O-N 3.39Å |
| 258 | N | 97.3 | Very high | 96.6 | Very high | 41 Ų | 41 | 55.5 Ų | 55.5 | 22% | 0.219 | 27% | 0.269 | C | S | . | . | trans | 54.4 | 70.5 | 173.7 | -175.4 | 4.2 | 0 | 0 | 0 | 113.1 | E255 K256 L260 K261 T262 V268 | E255-N258 PolarHBondContact O-N 2.64Å; E255-N258 VanDerWaalsContact O-N 3.08Å; K256-N258 PolarHBondContact O-N 2.68Å; K256-N258 VanDerWaalsContact O-N 3.1Å; N258-L260 PolarHBondContact O-N 3.11Å; N258-K261 WeakPolarHBondContact O-CA 3.31Å; N258-K261 PolarHBondContact O-N 2.96Å; N258-K261 PolarHBondContact OD1-N 3.18Å; N258-K261 VanDerWaalsContact OD1-N 3.08Å; N258-T262 PolarHBondContact ND2-O 3.26Å; N258-T262 PolarHBondContact OD1-N 2.84Å; N258-V268 HydrophobicContact CB-CG1 4.41Å; N258-V268 HydrophobicContact CB-CG2 4.31Å | ||
| 259 | P | 97.1 | Very high | 96.6 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 7% | 0.071 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -23.1 | -172.9 | 28.4 | -33.3 | 0 | 0 | 0 | 112.4 | R214 V215 W254 K261 | R214-P259 PolarHBondContact NH2-O 3.23Å; V215-P259 HydrophobicContact CG1-CB 4.08Å; V215-P259 HydrophobicContact CG1-CG 4.04Å; V215-P259 HydrophobicContact CG2-CB 4.27Å; V215-P259 WeakPolarHBondContact CG2-O 3.37Å; W254-P259 HydrophobicContact CD2-CB 4.47Å; W254-P259 HydrophobicContact CD2-CG 4.2Å; W254-P259 HydrophobicContact CE3-CG 4.33Å; W254-P259 HydrophobicContact CH2-CB 4.1Å; W254-P259 HydrophobicContact CH2-CG 3.67Å; W254-P259 HydrophobicContact CZ2-CB 3.42Å; W254-P259 VanDerWaalsContact CZ2-CB 3.42Å; W254-P259 HydrophobicContact CZ2-CG 3.5Å; W254-P259 VanDerWaalsContact CZ2-CG 3.5Å; W254-P259 HydrophobicContact CZ3-CG 4.1Å; W254-P259 WeakPolarHBondContact O-CD 3.49Å; P259-K261 VanDerWaalsContact C-N 3.27Å |
| 260 | L | 95.6 | Very high | 96.5 | Very high | 20 Ų | 20 | 58.2 Ų | 58.2 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -20.4 | 170.4 | -76.5 | 172.8 | 0 | 0 | 0 | 113.3 | P175 N211 V215 N258 T262 T267 | P175-L260 HydrophobicContact CG-CD2 3.87Å; P175-L260 HydrophobicContact CG-CG 4.48Å; N211-L260 PolarHBondContact ND2-O 3.12Å; V215-L260 HydrophobicContact CB-CD2 4.22Å; V215-L260 HydrophobicContact CG1-CD2 4.33Å; V215-L260 HydrophobicContact CG1-CG 4.39Å; V215-L260 HydrophobicContact CG2-CD2 3.97Å; V215-L260 HydrophobicContact CG2-CG 4.39Å; N258-L260 PolarHBondContact O-N 3.11Å; L260-T262 VanDerWaalsContact C-N 3.27Å; L260-T262 HydrophobicContact CB-CG2 4.43Å; L260-T262 PolarHBondContact O-N 3.37Å; L260-T267 HydrophobicContact CD1-CG2 4.37Å |
| 261 | K | 95.5 | Very high | 96.5 | Very high | 174 Ų | 174 | 52.8 Ų | 52.8 | 76% | 0.757 | 26% | 0.257 | S | S | * | . | trans | 54 | 42.9 | -175.8 | -56.3 | -176.6 | 178.7 | -174.2 | 0 | 112.4 | N258 P259 | N258-K261 WeakPolarHBondContact O-CA 3.31Å; N258-K261 PolarHBondContact O-N 2.96Å; N258-K261 PolarHBondContact OD1-N 3.18Å; N258-K261 VanDerWaalsContact OD1-N 3.08Å; P259-K261 VanDerWaalsContact C-N 3.27Å | ||
| 262 | T | 93.9 | Very high | 96.5 | Very high | 46 Ų | 46 | 52.6 Ų | 52.6 | 28% | 0.282 | 26% | 0.256 | S | S | . | . | trans | -93.5 | 143.8 | 176.9 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | N258 L260 D264 T267 V268 | N258-T262 PolarHBondContact ND2-O 3.26Å; N258-T262 PolarHBondContact OD1-N 2.84Å; L260-T262 VanDerWaalsContact C-N 3.27Å; L260-T262 HydrophobicContact CB-CG2 4.43Å; L260-T262 PolarHBondContact O-N 3.37Å; T262-D264 VanDerWaalsContact C-N 3.29Å; T262-D264 PolarHBondContact OG1-N 3.24Å; T262-T267 HydrophobicContact CG2-CG2 4.25Å; T262-V268 HydrophobicContact CG2-CG2 3.64Å | ||
| 263 | E | 93 | Very high | 96.5 | Very high | 178 Ų | 178 | 53.5 Ų | 53.5 | 83% | 0.832 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -81.1 | -13.1 | 174.8 | -63 | -179.9 | 178.4 | 0 | 0 | 112.6 | I265 | E263-I265 PolarHBondContact O-N 3.35Š|
| 264 | D | 94.2 | Very high | 96.5 | Very high | 62 Ų | 62 | 49.7 Ų | 49.7 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | trans | -73.3 | 103.4 | 176.2 | 174.2 | 26.3 | 0 | 0 | 0 | 111.6 | T262 I266 T267 V268 | T262-D264 VanDerWaalsContact C-N 3.29Å; T262-D264 PolarHBondContact OG1-N 3.24Å; D264-I266 PolarHBondContact O-N 2.97Å; D264-I266 VanDerWaalsContact OD1-CB 3.29Å; D264-I266 WeakPolarHBondContact OD1-CB 3.14Å; D264-I266 PolarHBondContact OD1-N 3.09Å; D264-T267 PolarHBondContact O-N 2.52Å; D264-T267 WeakPolarHBondContact OD2-CB 3.44Å; D264-T267 PolarHBondContact OD2-N 3.26Å; D264-T267 PolarHBondContact OD2-OG1 3.4Å; D264-V268 WeakPolarHBondContact O-CG2 3.47Å; D264-V268 PolarHBondContact O-N 3.12Å | ||
| 265 | I | 94.7 | Very high | 96.4 | Very high | 29 Ų | 29 | 48 Ų | 48 | 15% | 0.149 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -34.7 | 175.8 | -65.1 | 178.7 | 0 | 0 | 0 | 111.3 | E263 T267 V268 T269 I303 L304 K307 | E263-I265 PolarHBondContact O-N 3.35Å; I265-T267 PolarHBondContact O-N 3.26Å; I265-V268 PolarHBondContact O-N 2.88Å; I265-T269 VanDerWaalsContact O-CB 3.32Å; I265-T269 WeakPolarHBondContact O-CB 3.43Å; I265-T269 PolarHBondContact O-N 2.94Å; I265-T269 PolarHBondContact O-OG1 3.38Å; I265-T269 VanDerWaalsContact O-OG1 3.1Å; I265-I303 HydrophobicContact CD1-CB 4.14Å; I265-I303 HydrophobicContact CD1-CG2 3.33Å; I265-L304 HydrophobicContact CB-CD2 4.28Å; I265-L304 HydrophobicContact CG2-CD2 4.24Å; I265-L304 HydrophobicContact CG2-CG 4.36Å; I265-K307 HydrophobicContact CD1-CD 3.88Å |
| 266 | I | 96.5 | Very high | 96.5 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 19% | 0.185 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65 | -44.7 | -176.2 | -54.1 | 174.1 | 0 | 0 | 0 | 109.3 | D264 K270 L304 T312 F316 | D264-I266 PolarHBondContact O-N 2.97Å; D264-I266 VanDerWaalsContact OD1-CB 3.29Å; D264-I266 WeakPolarHBondContact OD1-CB 3.14Å; D264-I266 PolarHBondContact OD1-N 3.09Å; I266-K270 HydrophobicContact CG2-CD 3.97Å; I266-K270 WeakPolarHBondContact O-CB 3.41Å; I266-K270 VanDerWaalsContact O-CG 3.24Å; I266-K270 WeakPolarHBondContact O-CG 3.28Å; I266-K270 PolarHBondContact O-N 2.9Å; I266-L304 HydrophobicContact CG1-CD2 4.22Å; I266-T312 HydrophobicContact CD1-CG2 3.97Å; I266-T312 HydrophobicContact CG1-CG2 4.09Å; I266-T312 HydrophobicContact CG2-CG2 4.48Å; I266-F316 HydrophobicContact CG2-CZ 4.34Å |
| 267 | T | 94.7 | Very high | 96.4 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 34% | 0.344 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 172.9 | -68.6 | 0 | 0 | 0 | 0 | 112.5 | L260 T262 D264 I265 R271 | L260-T267 HydrophobicContact CD1-CG2 4.37Å; T262-T267 HydrophobicContact CG2-CG2 4.25Å; D264-T267 PolarHBondContact O-N 2.52Å; D264-T267 WeakPolarHBondContact OD2-CB 3.44Å; D264-T267 PolarHBondContact OD2-N 3.26Å; D264-T267 PolarHBondContact OD2-OG1 3.4Å; I265-T267 PolarHBondContact O-N 3.26Å; T267-R271 WeakPolarHBondContact O-CG 3.41Å; T267-R271 PolarHBondContact O-N 3.29Å; T267-R271 VanDerWaalsContact O-N 3.15Å |
| 268 | V | 96.9 | Very high | 96.3 | Very high | 15 Ų | 15 | 42 Ų | 42 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.9 | -49.9 | 178.6 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | N258 T262 D264 I265 K270 R271 V272 | N258-V268 HydrophobicContact CB-CG1 4.41Å; N258-V268 HydrophobicContact CB-CG2 4.31Å; T262-V268 HydrophobicContact CG2-CG2 3.64Å; D264-V268 WeakPolarHBondContact O-CG2 3.47Å; D264-V268 PolarHBondContact O-N 3.12Å; I265-V268 PolarHBondContact O-N 2.88Å; V268-K270 PolarHBondContact O-N 3.47Å; V268-R271 WeakPolarHBondContact O-CB 3.39Å; V268-R271 PolarHBondContact O-N 3.11Å; V268-R271 VanDerWaalsContact O-N 3.14Å; V268-V272 HydrophobicContact CG1-CG2 4.38Å; V268-V272 WeakPolarHBondContact O-CG2 3.44Å; V268-V272 PolarHBondContact O-N 3.16Å |
| 269 | T | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 179.8 | -63 | 0 | 0 | 0 | 0 | 111.5 | I265 R271 V272 M273 Y296 L297 A300 F316 | I265-T269 VanDerWaalsContact O-CB 3.32Å; I265-T269 WeakPolarHBondContact O-CB 3.43Å; I265-T269 PolarHBondContact O-N 2.94Å; I265-T269 PolarHBondContact O-OG1 3.38Å; I265-T269 VanDerWaalsContact O-OG1 3.1Å; T269-R271 VanDerWaalsContact C-N 3.25Å; T269-R271 PolarHBondContact O-N 3.03Å; T269-V272 PolarHBondContact O-N 3.12Å; T269-M273 HydrophobicContact CG2-CG 3.98Å; T269-M273 WeakPolarHBondContact O-CB 3.36Å; T269-M273 VanDerWaalsContact O-CG 3.24Å; T269-M273 WeakPolarHBondContact O-CG 3.43Å; T269-M273 PolarHBondContact O-N 3.28Å; T269-Y296 HydrophobicContact CG2-CE1 4.1Å; T269-L297 HydrophobicContact CG2-CD1 3.66Å; T269-A300 HydrophobicContact CG2-CB 3.79Å; T269-A300 WeakPolarHBondContact OG1-CB 3.32Å; T269-F316 HydrophobicContact CG2-CD2 4.08Å; T269-F316 HydrophobicContact CG2-CE2 3.5Å; T269-F316 HydrophobicContact CG2-CZ 3.78Å |
| 270 | K | 96.6 | Very high | 96.3 | Very high | 121 Ų | 121 | 39.8 Ų | 39.8 | 53% | 0.526 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.8 | -35.2 | 175.6 | -76.1 | 173 | -178.8 | 172.1 | 0 | 112.7 | I266 V268 F274 | I266-K270 HydrophobicContact CG2-CD 3.97Å; I266-K270 WeakPolarHBondContact O-CB 3.41Å; I266-K270 VanDerWaalsContact O-CG 3.24Å; I266-K270 WeakPolarHBondContact O-CG 3.28Å; I266-K270 PolarHBondContact O-N 2.9Å; V268-K270 PolarHBondContact O-N 3.47Å; K270-F274 VanDerWaalsContact O-CB 3.3Å; K270-F274 WeakPolarHBondContact O-CB 3.42Å; K270-F274 PolarHBondContact O-N 2.87Å |
| 271 | R | 97.6 | Very high | 96.2 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 5% | 0.045 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.8 | -47.3 | 174.9 | -69.4 | 176.3 | 62.8 | 77.2 | 6.6 | 113.1 | L131 E255 T267 V268 T269 M273 F274 A275 | L131-R271 HydrophobicContact CD1-CG 4.39Å; E255-R271 IonicContact OE1-CZ 3.4Å; E255-R271 IonicContact OE1-NE 3.48Å; E255-R271 IonicContact OE1-NH2 2.75Å; E255-R271 PolarHBondContact OE1-NH2 3.31Å; E255-R271 IonicContact OE2-CZ 2.98Å; E255-R271 IonicContact OE2-NE 2.74Å; E255-R271 PolarHBondContact OE2-NE 3.41Å; E255-R271 IonicContact OE2-NH2 3.94Å; E255-R271 PolarHBondContact OE2-NH2 3.08Å; T267-R271 WeakPolarHBondContact O-CG 3.41Å; T267-R271 PolarHBondContact O-N 3.29Å; T267-R271 VanDerWaalsContact O-N 3.15Å; V268-R271 WeakPolarHBondContact O-CB 3.39Å; V268-R271 PolarHBondContact O-N 3.11Å; V268-R271 VanDerWaalsContact O-N 3.14Å; T269-R271 VanDerWaalsContact C-N 3.25Å; T269-R271 PolarHBondContact O-N 3.03Å; R271-M273 VanDerWaalsContact C-N 3.35Å; R271-M273 PolarHBondContact O-N 3.14Å; R271-F274 WeakPolarHBondContact O-CB 3.36Å; R271-F274 PolarHBondContact O-N 3.16Å; R271-A275 PolarHBondContact O-N 2.98Å |
| 272 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 111 | E255 K256 V268 T269 A275 Y276 Y296 | E255-V272 HydrophobicContact CB-CG2 3.81Å; K256-V272 HydrophobicContact CB-CG2 4.43Å; K256-V272 HydrophobicContact CG-CG1 3.74Å; K256-V272 HydrophobicContact CG-CG2 3.86Å; V268-V272 HydrophobicContact CG1-CG2 4.38Å; V268-V272 WeakPolarHBondContact O-CG2 3.44Å; V268-V272 PolarHBondContact O-N 3.16Å; T269-V272 PolarHBondContact O-N 3.12Å; V272-A275 WeakPolarHBondContact O-CB 3.21Å; V272-A275 PolarHBondContact O-N 2.85Å; V272-Y276 HydrophobicContact CG1-CD2 3.87Å; V272-Y276 HydrophobicContact CG1-CE2 3.7Å; V272-Y276 WeakPolarHBondContact O-CD2 3.36Å; V272-Y276 PolarHBondContact O-N 3.31Å; V272-Y296 HydrophobicContact CB-CD1 4.22Å; V272-Y296 HydrophobicContact CB-CE1 3.56Å; V272-Y296 HydrophobicContact CG1-CD1 3.59Å; V272-Y296 HydrophobicContact CG1-CD2 4.3Å; V272-Y296 HydrophobicContact CG1-CE1 3.41Å; V272-Y296 VanDerWaalsContact CG1-CE1 3.41Å; V272-Y296 HydrophobicContact CG1-CE2 4.12Å; V272-Y296 HydrophobicContact CG1-CG 4.06Å; V272-Y296 HydrophobicContact CG2-CE1 4.16Å |
| 273 | M | 97.7 | Very high | 96.3 | Very high | 22 Ų | 22 | 29.3 Ų | 29.3 | 11% | 0.108 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 175.1 | -65.1 | -48.3 | -62 | 0 | 0 | 111.6 | T269 R271 A275 Y276 E277 A293 Y296 L297 M323 | T269-M273 HydrophobicContact CG2-CG 3.98Å; T269-M273 WeakPolarHBondContact O-CB 3.36Å; T269-M273 VanDerWaalsContact O-CG 3.24Å; T269-M273 WeakPolarHBondContact O-CG 3.43Å; T269-M273 PolarHBondContact O-N 3.28Å; R271-M273 VanDerWaalsContact C-N 3.35Å; R271-M273 PolarHBondContact O-N 3.14Å; M273-A275 VanDerWaalsContact C-N 3.31Å; M273-A275 PolarHBondContact O-N 3.36Å; M273-Y276 WeakPolarHBondContact O-CB 3.29Å; M273-Y276 PolarHBondContact O-N 2.9Å; M273-Y276 HydrophobicContact SD-CD2 4.18Å; M273-E277 WeakPolarHBondContact O-CG 3.47Å; M273-E277 PolarHBondContact O-N 3.45Å; M273-A293 HydrophobicContact CE-CB 4.31Å; M273-Y296 HydrophobicContact SD-CD1 3.95Å; M273-L297 HydrophobicContact CE-CB 4.25Å; M273-L297 HydrophobicContact CE-CD2 3.97Å; M273-L297 HydrophobicContact CG-CD1 4.09Å; M273-L297 HydrophobicContact SD-CB 4Å; M273-L297 HydrophobicContact SD-CD1 4.26Å; M273-L297 HydrophobicContact SD-CD2 4.46Å; M273-L297 HydrophobicContact SD-CG 4.49Å; M273-M323 HydrophobicContact CE-CE 3.31Å |
| 274 | F | 97.2 | Very high | 96.4 | Very high | 12 Ų | 12 | 20.8 Ų | 20.8 | 5% | 0.053 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60 | -39.8 | 171.7 | -176.6 | -96.1 | 0 | 0 | 0 | 112.2 | L92 M129 L131 D132 K270 R271 E277 Q278 | L92-F274 HydrophobicContact CD1-CD2 4.11Å; L92-F274 HydrophobicContact CD1-CE2 4.22Å; M129-F274 HydrophobicContact CE-CE2 4.14Å; M129-F274 HydrophobicContact CE-CZ 4.07Å; M129-F274 HydrophobicContact SD-CE2 4.39Å; L131-F274 HydrophobicContact CB-CD1 3.94Å; L131-F274 HydrophobicContact CB-CD2 4.26Å; L131-F274 HydrophobicContact CB-CE1 4.21Å; L131-F274 HydrophobicContact CB-CG 3.98Å; L131-F274 HydrophobicContact CB-CZ 4.5Å; L131-F274 HydrophobicContact CD1-CB 4.02Å; L131-F274 HydrophobicContact CD1-CG 4.27Å; D132-F274 HydrophobicContact CB-CE1 4.32Å; D132-F274 HydrophobicContact CB-CZ 3.83Å; K270-F274 VanDerWaalsContact O-CB 3.3Å; K270-F274 WeakPolarHBondContact O-CB 3.42Å; K270-F274 PolarHBondContact O-N 2.87Å; R271-F274 WeakPolarHBondContact O-CB 3.36Å; R271-F274 PolarHBondContact O-N 3.16Å; F274-E277 PolarHBondContact O-N 2.97Å; F274-Q278 HydrophobicContact CD1-CG 4.16Å; F274-Q278 HydrophobicContact CE1-CG 3.66Å; F274-Q278 HydrophobicContact CZ-CG 3.85Å; F274-Q278 VanDerWaalsContact CZ-NE2 3.27Å; F274-Q278 WeakPolarHBondContact O-CG 3.35Å; F274-Q278 PolarHBondContact O-N 3.47Å |
| 275 | A | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y251 I252 E255 R271 V272 M273 Q278 C279 | Y251-A275 HydrophobicContact CD1-CB 4.24Å; Y251-A275 HydrophobicContact CE1-CB 3.53Å; Y251-A275 HydrophobicContact CE2-CB 4.25Å; I252-A275 HydrophobicContact CG1-CB 4.16Å; E255-A275 HydrophobicContact CG-CB 4.16Å; R271-A275 PolarHBondContact O-N 2.98Å; V272-A275 WeakPolarHBondContact O-CB 3.21Å; V272-A275 PolarHBondContact O-N 2.85Å; M273-A275 VanDerWaalsContact C-N 3.31Å; M273-A275 PolarHBondContact O-N 3.36Å; A275-Q278 PolarHBondContact O-N 3.36Å; A275-C279 WeakPolarHBondContact O-CB 3.39Å; A275-C279 PolarHBondContact O-N 2.93Å |
| 276 | Y | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 172.4 | -83 | -64 | 0 | 0 | 0 | 112.4 | I252 K256 V272 M273 Q278 C279 L280 I289 E292 A293 Y296 | I252-Y276 HydrophobicContact CD1-CD1 3.77Å; I252-Y276 HydrophobicContact CD1-CE1 3.82Å; I252-Y276 HydrophobicContact CG1-CD1 4.4Å; I252-Y276 HydrophobicContact CG1-CE1 4.47Å; I252-Y276 HydrophobicContact CG2-CD1 4.39Å; I252-Y276 HydrophobicContact CG2-CD2 4.4Å; I252-Y276 HydrophobicContact CG2-CE1 3.81Å; I252-Y276 HydrophobicContact CG2-CE2 3.8Å; I252-Y276 VanDerWaalsContact CG2-CZ 3.47Å; K256-Y276 VanDerWaalsContact CE-OH 3.3Å; K256-Y276 WeakPolarHBondContact CE-OH 3.26Å; K256-Y276 PolarHBondContact NZ-OH 3.19Å; V272-Y276 HydrophobicContact CG1-CD2 3.87Å; V272-Y276 HydrophobicContact CG1-CE2 3.7Å; V272-Y276 WeakPolarHBondContact O-CD2 3.36Å; V272-Y276 PolarHBondContact O-N 3.31Å; M273-Y276 WeakPolarHBondContact O-CB 3.29Å; M273-Y276 PolarHBondContact O-N 2.9Å; M273-Y276 HydrophobicContact SD-CD2 4.18Å; Y276-Q278 PolarHBondContact O-N 3.32Å; Y276-C279 WeakPolarHBondContact O-CB 3.41Å; Y276-C279 PolarHBondContact O-N 2.87Å; Y276-C279 VanDerWaalsContact O-N 3.12Å; Y276-L280 VanDerWaalsContact O-CG 3.29Å; Y276-L280 WeakPolarHBondContact O-CG 3.48Å; Y276-L280 PolarHBondContact O-N 3.45Å; Y276-I289 HydrophobicContact CD1-CG2 4.08Å; Y276-I289 HydrophobicContact CE1-CG2 4.4Å; Y276-E292 HydrophobicContact CE1-CB 4.04Å; Y276-E292 WeakPolarHBondContact OH-CB 3.27Å; Y276-A293 HydrophobicContact CD1-CB 3.58Å; Y276-A293 HydrophobicContact CD2-CB 3.89Å; Y276-A293 HydrophobicContact CE1-CB 3.98Å; Y276-A293 HydrophobicContact CE2-CB 4.28Å; Y276-A293 HydrophobicContact CG-CB 3.53Å; Y276-Y296 HydrophobicContact CE2-CG 4.4Å |
| 277 | E | 96.4 | Very high | 96.5 | Very high | 29 Ų | 29 | 17.5 Ų | 17.5 | 14% | 0.136 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 177.1 | -68.1 | -65.9 | 158.2 | 0 | 0 | 111.7 | L92 M273 F274 C279 L280 L281 R326 | L92-E277 HydrophobicContact CD1-CB 3.8Å; L92-E277 HydrophobicContact CD1-CG 3.98Å; L92-E277 HydrophobicContact CG-CB 4.48Å; M273-E277 WeakPolarHBondContact O-CG 3.47Å; M273-E277 PolarHBondContact O-N 3.45Å; F274-E277 PolarHBondContact O-N 2.97Å; E277-C279 VanDerWaalsContact C-N 3.32Å; E277-C279 PolarHBondContact O-N 3.47Å; E277-L280 PolarHBondContact O-N 3.34Å; E277-L281 WeakPolarHBondContact O-CG 3.17Å; E277-L281 PolarHBondContact O-N 3.01Å; E277-R326 IonicContact OE1-CZ 3.15Å; E277-R326 IonicContact OE1-NH1 3.58Å; E277-R326 PolarHBondContact OE1-NH1 3.23Å; E277-R326 IonicContact OE1-NH2 3.15Å; E277-R326 PolarHBondContact OE1-NH2 2.68Å; E277-R326 IonicContact OE2-NH1 3.02Å; E277-R326 PolarHBondContact OE2-NH1 3.23Å |
| 278 | Q | 96.3 | Very high | 96.6 | Very high | 15 Ų | 15 | 17.3 Ų | 17.3 | 7% | 0.07 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 174.6 | -68.9 | -51.2 | -53.7 | 0 | 0 | 112.1 | L92 W248 F274 A275 Y276 L281 | L92-Q278 PolarHBondContact O-NE2 2.92Å; L92-Q278 PolarHBondContact O-OE1 3.42Å; W248-Q278 HydrophobicContact CH2-CB 3.94Å; W248-Q278 HydrophobicContact CZ3-CB 3.85Å; F274-Q278 HydrophobicContact CD1-CG 4.16Å; F274-Q278 HydrophobicContact CE1-CG 3.66Å; F274-Q278 HydrophobicContact CZ-CG 3.85Å; F274-Q278 VanDerWaalsContact CZ-NE2 3.27Å; F274-Q278 WeakPolarHBondContact O-CG 3.35Å; F274-Q278 PolarHBondContact O-N 3.47Å; A275-Q278 PolarHBondContact O-N 3.36Å; Y276-Q278 PolarHBondContact O-N 3.32Å; Q278-L281 PolarHBondContact O-N 3.37Å |
| 279 | C | 96.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.007 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 177.6 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | W248 I252 A275 Y276 E277 L281 C282 L283 | W248-C279 HydrophobicContact CD2-CB 3.98Å; W248-C279 HydrophobicContact CE3-CB 3.56Å; W248-C279 HydrophobicContact CG-CB 4.46Å; W248-C279 HydrophobicContact CZ3-CB 4.01Å; I252-C279 HydrophobicContact CD1-CB 3.97Å; A275-C279 WeakPolarHBondContact O-CB 3.39Å; A275-C279 PolarHBondContact O-N 2.93Å; Y276-C279 WeakPolarHBondContact O-CB 3.41Å; Y276-C279 PolarHBondContact O-N 2.87Å; Y276-C279 VanDerWaalsContact O-N 3.12Å; E277-C279 VanDerWaalsContact C-N 3.32Å; E277-C279 PolarHBondContact O-N 3.47Å; C279-L281 VanDerWaalsContact C-N 3.25Å; C279-L281 PolarHBondContact O-N 3.49Å; C279-C282 PolarHBondContact O-N 3.31Å; C279-L283 PolarHBondContact O-N 2.91Å |
| 280 | L | 96.5 | Very high | 96.7 | Very high | 5 Ų | 5 | 17.2 Ų | 17.2 | 3% | 0.026 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.9 | -22.5 | -178.9 | -70.5 | 172.2 | 0 | 0 | 0 | 113.4 | Y276 E277 C282 G284 I289 W290 M323 | Y276-L280 VanDerWaalsContact O-CG 3.29Å; Y276-L280 WeakPolarHBondContact O-CG 3.48Å; Y276-L280 PolarHBondContact O-N 3.45Å; E277-L280 PolarHBondContact O-N 3.34Å; L280-C282 VanDerWaalsContact C-N 3.26Å; L280-C282 PolarHBondContact O-N 3.11Å; L280-G284 WeakPolarHBondContact O-CA 3.33Å; L280-G284 PolarHBondContact O-N 3.08Å; L280-I289 HydrophobicContact CD2-CB 4.16Å; L280-I289 HydrophobicContact CD2-CG2 3.72Å; L280-I289 HydrophobicContact CG-CG2 4.24Å; L280-W290 HydrophobicContact CD1-CD2 4.07Å; L280-W290 HydrophobicContact CD1-CE3 3.84Å; L280-W290 HydrophobicContact CD1-CH2 4.04Å; L280-W290 HydrophobicContact CD1-CZ2 4.26Å; L280-W290 HydrophobicContact CD1-CZ3 3.84Å; L280-W290 HydrophobicContact CD2-CD2 3.78Å; L280-W290 HydrophobicContact CD2-CE3 4.41Å; L280-W290 HydrophobicContact CD2-CG 3.96Å; L280-W290 HydrophobicContact CD2-CZ2 4.1Å; L280-M323 HydrophobicContact CD1-SD 4.11Å |
| 281 | L | 95.4 | Very high | 96.7 | Very high | 14 Ų | 14 | 16.1 Ų | 16.1 | 7% | 0.073 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.4 | -32.7 | 170.7 | -57.7 | -171.7 | 0 | 0 | 0 | 112.6 | V59 I91 N93 E277 Q278 C279 | V59-L281 HydrophobicContact CB-CD2 4.38Å; I91-L281 HydrophobicContact CG2-CD1 4.44Å; I91-L281 HydrophobicContact CG2-CD2 4.03Å; N93-L281 HydrophobicContact CB-CD1 4.28Å; E277-L281 WeakPolarHBondContact O-CG 3.17Å; E277-L281 PolarHBondContact O-N 3.01Å; Q278-L281 PolarHBondContact O-N 3.37Å; C279-L281 VanDerWaalsContact C-N 3.25Å; C279-L281 PolarHBondContact O-N 3.49Å |
| 282 | C | 94.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.02 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -101.5 | -32.9 | -177.6 | -66.8 | 0 | 0 | 0 | 0 | 113.3 | S227 M230 S232 W248 C279 L280 | S227-C282 PolarHBondContact O-SG 3.41Å; M230-C282 HydrophobicContact CB-CB 4.39Å; M230-C282 HydrophobicContact CE-CB 4.36Å; M230-C282 WeakPolarHBondContact O-CA 3.33Å; M230-C282 PolarHBondContact O-SG 2.69Å; M230-C282 VanDerWaalsContact O-SG 3.41Å; S232-C282 VanDerWaalsContact CA-O 3.28Å; S232-C282 WeakPolarHBondContact CA-O 3.31Å; W248-C282 HydrophobicContact CZ2-CB 4.3Å; C279-C282 PolarHBondContact O-N 3.31Å; L280-C282 VanDerWaalsContact C-N 3.26Å; L280-C282 PolarHBondContact O-N 3.11Å |
| 283 | L | 95.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.016 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -123.2 | 20.4 | -173.5 | -61.6 | 176.5 | 0 | 0 | 0 | 112.8 | M230 V245 W248 C279 H285 H286 I289 | M230-L283 HydrophobicContact CE-CD2 3.66Å; M230-L283 HydrophobicContact CE-CG 4.49Å; V245-L283 HydrophobicContact CB-CD1 4.37Å; V245-L283 HydrophobicContact CG2-CD1 3.8Å; V245-L283 HydrophobicContact CG2-CD2 4.09Å; W248-L283 HydrophobicContact CB-CD1 4.1Å; W248-L283 VanDerWaalsContact CD1-CD1 3.45Å; W248-L283 HydrophobicContact CG-CD1 3.94Å; C279-L283 PolarHBondContact O-N 2.91Å; L283-H285 PolarHBondContact O-N 2.8Å; L283-H286 VanDerWaalsContact O-CB 3.28Å; L283-H286 WeakPolarHBondContact O-CB 3.35Å; L283-H286 PolarHBondContact O-CD2 3.33Å; L283-H286 VanDerWaalsContact O-CD2 3.26Å; L283-H286 PolarHBondContact O-N 3.47Å; L283-I289 HydrophobicContact CB-CD1 3.5Å; L283-I289 VanDerWaalsContact CB-CD1 3.5Å; L283-I289 HydrophobicContact CD1-CD1 3.82Å; L283-I289 HydrophobicContact CG-CD1 4.32Å |
| 284 | G | 95.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | S232 L280 W290 L330 | S232-G284 PolarHBondContact OG-N 2.91Å; L280-G284 WeakPolarHBondContact O-CA 3.33Å; L280-G284 PolarHBondContact O-N 3.08Å; G284-W290 PolarHBondContact O-NE1 3.27Å; G284-L330 WeakPolarHBondContact O-CD2 3.48Å |
| 285 | H | 95.7 | Very high | 96.8 | Very high | 15 Ų | 15 | 19 Ų | 19 | 7% | 0.069 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -0.3 | 169.8 | -65.6 | 84.5 | 0 | 0 | 0 | 114.5 | W26 S232 V233 L283 P287 L331 | W26-H285 AromaticContact CH2-CE1 3.61Å; W26-H285 AromaticContact CH2-NE2 3.14Å; W26-H285 WeakPolarHBondContact CH2-NE2 3.44Å; W26-H285 AromaticContact CZ2-NE2 3.8Å; W26-H285 AromaticContact CZ3-CE1 3.62Å; W26-H285 AromaticContact CZ3-NE2 3.66Å; S232-H285 PolarHBondContact O-CE1 3.38Å; S232-H285 PolarHBondContact O-ND1 3.31Å; S232-H285 PolarHBondContact OG-N 3.05Å; S232-H285 PolarHBondContact OG-ND1 3.08Å; V233-H285 WeakPolarHBondContact O-CB 3.39Å; L283-H285 PolarHBondContact O-N 2.8Å; H285-P287 WeakPolarHBondContact O-CD 3.38Å; H285-L331 HydrophobicContact CB-CD2 3.98Å |
| 286 | H | 95.8 | Very high | 96.8 | Very high | 13 Ų | 13 | 20.8 Ų | 20.8 | 6% | 0.06 | 10% | 0.103 | C | C | . | . | trans | -86.8 | 110.3 | 176.4 | -69.8 | -108.4 | 0 | 0 | 0 | 109.8 | E241 L283 D288 I289 | E241-H286 IonicContact OE1-CE1 2.79Å; E241-H286 PolarHBondContact OE1-CE1 3.49Å; E241-H286 IonicContact OE1-NE2 3.22Å; L283-H286 VanDerWaalsContact O-CB 3.28Å; L283-H286 WeakPolarHBondContact O-CB 3.35Å; L283-H286 PolarHBondContact O-CD2 3.33Å; L283-H286 VanDerWaalsContact O-CD2 3.26Å; L283-H286 PolarHBondContact O-N 3.47Å; H286-D288 VanDerWaalsContact C-N 3.3Å; H286-D288 WeakPolarHBondContact CB-OD1 3.42Å; H286-D288 PolarHBondContact O-N 2.82Å; H286-I289 HydrophobicContact CB-CB 4.47Å; H286-I289 HydrophobicContact CB-CD1 3.66Å; H286-I289 HydrophobicContact CB-CG1 3.8Å; H286-I289 PolarHBondContact O-N 3.29Å | ||
| 287 | P | 97 | Very high | 96.8 | Very high | 30 Ų | 30 | 21 Ų | 21 | 20% | 0.195 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69 | -28.2 | -173.1 | -18.3 | 32.5 | 0 | 0 | 0 | 113.4 | H285 I289 W290 Y291 L331 N334 L337 | H285-P287 WeakPolarHBondContact O-CD 3.38Å; P287-I289 VanDerWaalsContact C-N 3.33Å; P287-I289 PolarHBondContact O-N 3.05Å; P287-W290 PolarHBondContact O-N 3.41Å; P287-Y291 PolarHBondContact O-N 3.4Å; P287-Y291 VanDerWaalsContact O-N 3.08Å; P287-L331 HydrophobicContact CG-CD1 4.4Å; P287-N334 WeakPolarHBondContact CG-ND2 3.19Å; P287-L337 HydrophobicContact CB-CD1 4.04Å; P287-L337 HydrophobicContact CB-CG 4.16Å |
| 288 | D | 96.4 | Very high | 96.8 | Very high | 52 Ų | 52 | 21.2 Ų | 21.2 | 28% | 0.278 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -63.2 | -37.7 | 176.8 | 60 | -51.3 | 0 | 0 | 0 | 111.7 | K249 H286 Y291 E292 | K249-D288 WeakPolarHBondContact CE-OD2 3.38Å; K249-D288 IonicContact NZ-OD2 2.86Å; K249-D288 PolarHBondContact NZ-OD2 2.96Å; H286-D288 VanDerWaalsContact C-N 3.3Å; H286-D288 WeakPolarHBondContact CB-OD1 3.42Å; H286-D288 PolarHBondContact O-N 2.82Å; D288-Y291 PolarHBondContact O-N 3.43Å; D288-E292 WeakPolarHBondContact O-CB 3.49Å; D288-E292 VanDerWaalsContact O-CG 3.28Å; D288-E292 WeakPolarHBondContact O-CG 3.28Å; D288-E292 PolarHBondContact O-N 2.92Å |
| 289 | I | 97.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.1 | -42 | 179.8 | -53.5 | -178.3 | 0 | 0 | 0 | 111.2 | Y276 L280 L283 H286 P287 A293 | Y276-I289 HydrophobicContact CD1-CG2 4.08Å; Y276-I289 HydrophobicContact CE1-CG2 4.4Å; L280-I289 HydrophobicContact CD2-CB 4.16Å; L280-I289 HydrophobicContact CD2-CG2 3.72Å; L280-I289 HydrophobicContact CG-CG2 4.24Å; L283-I289 HydrophobicContact CB-CD1 3.5Å; L283-I289 VanDerWaalsContact CB-CD1 3.5Å; L283-I289 HydrophobicContact CD1-CD1 3.82Å; L283-I289 HydrophobicContact CG-CD1 4.32Å; H286-I289 HydrophobicContact CB-CB 4.47Å; H286-I289 HydrophobicContact CB-CD1 3.66Å; H286-I289 HydrophobicContact CB-CG1 3.8Å; H286-I289 PolarHBondContact O-N 3.29Å; P287-I289 VanDerWaalsContact C-N 3.33Å; P287-I289 PolarHBondContact O-N 3.05Å; I289-A293 VanDerWaalsContact O-CB 3.31Å; I289-A293 WeakPolarHBondContact O-CB 3.45Å; I289-A293 PolarHBondContact O-N 2.97Å |
| 290 | W | 98.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 173.4 | -72.7 | 100.5 | 0 | 0 | 0 | 111.9 | L280 G284 P287 A293 A294 M323 R326 A327 L330 L337 | L280-W290 HydrophobicContact CD1-CD2 4.07Å; L280-W290 HydrophobicContact CD1-CE3 3.84Å; L280-W290 HydrophobicContact CD1-CH2 4.04Å; L280-W290 HydrophobicContact CD1-CZ2 4.26Å; L280-W290 HydrophobicContact CD1-CZ3 3.84Å; L280-W290 HydrophobicContact CD2-CD2 3.78Å; L280-W290 HydrophobicContact CD2-CE3 4.41Å; L280-W290 HydrophobicContact CD2-CG 3.96Å; L280-W290 HydrophobicContact CD2-CZ2 4.1Å; G284-W290 PolarHBondContact O-NE1 3.27Å; P287-W290 PolarHBondContact O-N 3.41Å; W290-A293 PolarHBondContact O-N 2.95Å; W290-A294 WeakPolarHBondContact O-CB 3.5Å; W290-A294 PolarHBondContact O-N 2.93Å; W290-M323 HydrophobicContact CE3-CG 4.12Å; W290-M323 HydrophobicContact CE3-SD 3.46Å; W290-M323 HydrophobicContact CZ3-CG 4.49Å; W290-M323 HydrophobicContact CZ3-SD 3.47Å; W290-M323 WeakPolarHBondContact CZ3-SD 3.28Å; W290-R326 HydrophobicContact CH2-CB 3.89Å; W290-R326 HydrophobicContact CZ3-CB 3.73Å; W290-A327 HydrophobicContact CB-CB 3.94Å; W290-A327 HydrophobicContact CD2-CB 3.45Å; W290-A327 VanDerWaalsContact CD2-CB 3.45Å; W290-A327 HydrophobicContact CE3-CB 3.47Å; W290-A327 VanDerWaalsContact CE3-CB 3.47Å; W290-A327 HydrophobicContact CG-CB 3.68Å; W290-A327 HydrophobicContact CZ3-CB 4.15Å; W290-L330 HydrophobicContact CZ2-CD2 3.95Å; W290-L337 HydrophobicContact CB-CD2 3.81Å |
| 291 | Y | 98.2 | Very high | 96.9 | Very high | 98 Ų | 98 | 26.1 Ų | 26.1 | 38% | 0.384 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -65.6 | -44.4 | 178.9 | 177.7 | -95.1 | 0 | 0 | 0 | 112.2 | P287 D288 A293 A294 S295 M336 A340 | P287-Y291 PolarHBondContact O-N 3.4Å; P287-Y291 VanDerWaalsContact O-N 3.08Å; D288-Y291 PolarHBondContact O-N 3.43Å; Y291-A293 VanDerWaalsContact C-N 3.34Å; Y291-A293 PolarHBondContact O-N 2.77Å; Y291-A294 PolarHBondContact O-N 2.92Å; Y291-S295 WeakPolarHBondContact O-CB 3.31Å; Y291-S295 PolarHBondContact O-N 2.91Å; Y291-M336 HydrophobicContact CD1-CE 4.47Å; Y291-M336 HydrophobicContact CD2-CE 4.17Å; Y291-M336 HydrophobicContact CG-CE 3.9Å; Y291-A340 HydrophobicContact CD2-CB 3.73Å; Y291-A340 HydrophobicContact CE2-CB 3.89Å |
| 292 | E | 98.2 | Very high | 97 | Very high | 57 Ų | 57 | 30.5 Ų | 30.5 | 27% | 0.266 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 175.7 | -76 | 179.7 | -152.7 | 0 | 0 | 112.1 | K249 Y276 D288 Y296 | K249-E292 IonicContact NZ-OE1 3.41Å; K249-E292 PolarHBondContact NZ-OE1 3.25Å; Y276-E292 HydrophobicContact CE1-CB 4.04Å; Y276-E292 WeakPolarHBondContact OH-CB 3.27Å; D288-E292 WeakPolarHBondContact O-CB 3.49Å; D288-E292 VanDerWaalsContact O-CG 3.28Å; D288-E292 WeakPolarHBondContact O-CG 3.28Å; D288-E292 PolarHBondContact O-N 2.92Å; E292-Y296 WeakPolarHBondContact O-CB 3.12Å; E292-Y296 PolarHBondContact O-N 2.91Å |
| 293 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.3 | -48.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | M273 Y276 I289 W290 Y291 Y296 L297 M323 | M273-A293 HydrophobicContact CE-CB 4.31Å; Y276-A293 HydrophobicContact CD1-CB 3.58Å; Y276-A293 HydrophobicContact CD2-CB 3.89Å; Y276-A293 HydrophobicContact CE1-CB 3.98Å; Y276-A293 HydrophobicContact CE2-CB 4.28Å; Y276-A293 HydrophobicContact CG-CB 3.53Å; I289-A293 VanDerWaalsContact O-CB 3.31Å; I289-A293 WeakPolarHBondContact O-CB 3.45Å; I289-A293 PolarHBondContact O-N 2.97Å; W290-A293 PolarHBondContact O-N 2.95Å; Y291-A293 VanDerWaalsContact C-N 3.34Å; Y291-A293 PolarHBondContact O-N 2.77Å; A293-Y296 PolarHBondContact O-N 3.46Å; A293-L297 PolarHBondContact O-N 3.35Å; A293-L297 VanDerWaalsContact O-N 3.15Å; A293-M323 HydrophobicContact CB-CE 4.05Å; A293-M323 HydrophobicContact CB-SD 4.43Å |
| 294 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W290 Y291 Y296 L297 D298 T320 M323 Y324 | W290-A294 WeakPolarHBondContact O-CB 3.5Å; W290-A294 PolarHBondContact O-N 2.93Å; Y291-A294 PolarHBondContact O-N 2.92Å; A294-Y296 PolarHBondContact O-N 3.05Å; A294-L297 PolarHBondContact O-N 3.01Å; A294-D298 WeakPolarHBondContact O-CB 3.42Å; A294-D298 PolarHBondContact O-N 2.98Å; A294-T320 HydrophobicContact CB-CG2 4.1Å; A294-T320 WeakPolarHBondContact O-CG2 3.33Å; A294-M323 HydrophobicContact CB-CB 4.41Å; A294-M323 HydrophobicContact CB-CG 4.05Å; A294-Y324 HydrophobicContact CB-CD1 4.43Å; A294-Y324 HydrophobicContact CB-CD2 4.15Å; A294-Y324 HydrophobicContact CB-CE1 3.9Å; A294-Y324 HydrophobicContact CB-CE2 3.61Å; A294-Y324 VanDerWaalsContact CB-CZ 3.46Å |
| 295 | S | 97.7 | Very high | 97.1 | Very high | 50 Ų | 50 | 36.6 Ų | 36.6 | 35% | 0.35 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 176.8 | 178.3 | 0 | 0 | 0 | 0 | 112.7 | Y291 L297 H299 | Y291-S295 WeakPolarHBondContact O-CB 3.31Å; Y291-S295 PolarHBondContact O-N 2.91Å; S295-L297 VanDerWaalsContact C-N 3.34Å; S295-H299 WeakPolarHBondContact O-CB 3.27Å; S295-H299 PolarHBondContact O-N 2.8Å |
| 296 | Y | 98.1 | Very high | 97.1 | Very high | 37 Ų | 37 | 43.6 Ų | 43.6 | 15% | 0.145 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 174.4 | 179.7 | -93.5 | 0 | 0 | 0 | 112.2 | K256 T269 V272 M273 Y276 E292 A293 A294 H299 A300 | K256-Y296 HydrophobicContact CD-CD2 4.11Å; K256-Y296 HydrophobicContact CD-CE2 4.19Å; K256-Y296 HydrophobicContact CG-CD2 4.22Å; K256-Y296 HydrophobicContact CG-CE2 3.85Å; T269-Y296 HydrophobicContact CG2-CE1 4.1Å; V272-Y296 HydrophobicContact CB-CD1 4.22Å; V272-Y296 HydrophobicContact CB-CE1 3.56Å; V272-Y296 HydrophobicContact CG1-CD1 3.59Å; V272-Y296 HydrophobicContact CG1-CD2 4.3Å; V272-Y296 HydrophobicContact CG1-CE1 3.41Å; V272-Y296 VanDerWaalsContact CG1-CE1 3.41Å; V272-Y296 HydrophobicContact CG1-CE2 4.12Å; V272-Y296 HydrophobicContact CG1-CG 4.06Å; V272-Y296 HydrophobicContact CG2-CE1 4.16Å; M273-Y296 HydrophobicContact SD-CD1 3.95Å; Y276-Y296 HydrophobicContact CE2-CG 4.4Å; E292-Y296 WeakPolarHBondContact O-CB 3.12Å; E292-Y296 PolarHBondContact O-N 2.91Å; A293-Y296 PolarHBondContact O-N 3.46Å; A294-Y296 PolarHBondContact O-N 3.05Å; Y296-H299 PolarHBondContact O-N 3.36Å; Y296-A300 PolarHBondContact O-N 3.19Å |
| 297 | L | 97.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -74.6 | -38.6 | -178.9 | -170.2 | 59.5 | 0 | 0 | 0 | 113 | T269 M273 A293 A294 S295 H299 A300 S301 F316 D319 T320 | T269-L297 HydrophobicContact CG2-CD1 3.66Å; M273-L297 HydrophobicContact CE-CB 4.25Å; M273-L297 HydrophobicContact CE-CD2 3.97Å; M273-L297 HydrophobicContact CG-CD1 4.09Å; M273-L297 HydrophobicContact SD-CB 4Å; M273-L297 HydrophobicContact SD-CD1 4.26Å; M273-L297 HydrophobicContact SD-CD2 4.46Å; M273-L297 HydrophobicContact SD-CG 4.49Å; A293-L297 PolarHBondContact O-N 3.35Å; A293-L297 VanDerWaalsContact O-N 3.15Å; A294-L297 PolarHBondContact O-N 3.01Å; S295-L297 VanDerWaalsContact C-N 3.34Å; L297-H299 VanDerWaalsContact C-N 3.33Å; L297-A300 PolarHBondContact O-N 3.26Å; L297-S301 PolarHBondContact O-N 3.11Å; L297-F316 HydrophobicContact CD1-CB 3.9Å; L297-F316 HydrophobicContact CD1-CD1 4.06Å; L297-F316 HydrophobicContact CD1-CD2 3.98Å; L297-F316 HydrophobicContact CD1-CG 3.72Å; L297-F316 HydrophobicContact CG-CB 4.31Å; L297-D319 HydrophobicContact CD2-CB 3.55Å; L297-T320 WeakPolarHBondContact CB-OG1 3.17Å; L297-T320 VanDerWaalsContact CG-OG1 3.29Å; L297-T320 WeakPolarHBondContact CG-OG1 3.26Å |
| 298 | D | 97.3 | Very high | 96.9 | Very high | 34 Ų | 34 | 50.4 Ų | 50.4 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 167.9 | 169.5 | 57.3 | 0 | 0 | 0 | 111.4 | A294 S301 K302 T320 Y344 | A294-D298 WeakPolarHBondContact O-CB 3.42Å; A294-D298 PolarHBondContact O-N 2.98Å; D298-S301 PolarHBondContact O-N 3.19Å; D298-K302 WeakPolarHBondContact O-CG 3.42Å; D298-K302 PolarHBondContact O-N 3.44Å; D298-K302 WeakPolarHBondContact OD1-CE 3.45Å; D298-K302 IonicContact OD1-NZ 2.89Å; D298-K302 PolarHBondContact OD1-NZ 3.15Å; D298-K302 IonicContact OD2-NZ 4Å; D298-K302 PolarHBondContact OD2-NZ 3.4Å; D298-T320 HydrophobicContact CB-CG2 4.24Å; D298-T320 PolarHBondContact N-OG1 3.26Å; D298-Y344 HydrophobicContact CB-CE2 4.04Å |
| 299 | H | 97.2 | Very high | 96.9 | Very high | 111 Ų | 111 | 50.1 Ų | 50.1 | 51% | 0.514 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 175.2 | -175.9 | 43.5 | 0 | 0 | 0 | 112.2 | S295 Y296 L297 K302 I303 | S295-H299 WeakPolarHBondContact O-CB 3.27Å; S295-H299 PolarHBondContact O-N 2.8Å; Y296-H299 PolarHBondContact O-N 3.36Å; L297-H299 VanDerWaalsContact C-N 3.33Å; H299-K302 PolarHBondContact O-N 3.48Å; H299-I303 WeakPolarHBondContact O-CG1 3.33Å; H299-I303 PolarHBondContact O-N 3.45Å; H299-I303 VanDerWaalsContact O-N 3.08Å |
| 300 | A | 97.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T269 Y296 L297 I303 L304 F316 | T269-A300 HydrophobicContact CG2-CB 3.79Å; T269-A300 WeakPolarHBondContact OG1-CB 3.32Å; Y296-A300 PolarHBondContact O-N 3.19Å; L297-A300 PolarHBondContact O-N 3.26Å; A300-I303 PolarHBondContact O-N 2.9Å; A300-L304 WeakPolarHBondContact O-CG 3.43Å; A300-L304 PolarHBondContact O-N 2.98Å; A300-L304 VanDerWaalsContact O-N 3.09Å; A300-F316 HydrophobicContact CB-CD2 4.04Å; A300-F316 HydrophobicContact CB-CE2 4.3Å |
| 301 | S | 97.1 | Very high | 96.6 | Very high | 10 Ų | 10 | 60 Ų | 60 | 7% | 0.07 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.7 | -48.4 | 173.1 | 176 | 0 | 0 | 0 | 0 | 111 | L297 D298 I303 L304 V305 A313 | L297-S301 PolarHBondContact O-N 3.11Å; D298-S301 PolarHBondContact O-N 3.19Å; S301-I303 PolarHBondContact O-N 3.44Å; S301-L304 WeakPolarHBondContact O-CB 3.33Å; S301-L304 PolarHBondContact O-N 3.43Å; S301-L304 VanDerWaalsContact O-N 3.12Å; S301-V305 PolarHBondContact O-N 3.05Å; S301-A313 WeakPolarHBondContact O-CB 3.29Å; S301-A313 PolarHBondContact OG-O 2.86Å |
| 302 | K | 96.1 | Very high | 96.5 | Very high | 105 Ų | 105 | 56.2 Ų | 56.2 | 46% | 0.457 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 178.5 | -73.5 | 163.5 | 179.2 | 162.6 | 0 | 113.3 | D298 H299 L304 V305 E306 | D298-K302 WeakPolarHBondContact O-CG 3.42Å; D298-K302 PolarHBondContact O-N 3.44Å; D298-K302 WeakPolarHBondContact OD1-CE 3.45Å; D298-K302 IonicContact OD1-NZ 2.89Å; D298-K302 PolarHBondContact OD1-NZ 3.15Å; D298-K302 IonicContact OD2-NZ 4Å; D298-K302 PolarHBondContact OD2-NZ 3.4Å; H299-K302 PolarHBondContact O-N 3.48Å; K302-L304 VanDerWaalsContact C-N 3.3Å; K302-L304 PolarHBondContact O-N 2.9Å; K302-V305 WeakPolarHBondContact O-CB 3.16Å; K302-V305 PolarHBondContact O-N 3.17Å; K302-E306 WeakPolarHBondContact O-CG 3.12Å; K302-E306 PolarHBondContact O-N 3.19Å |
| 303 | I | 96.3 | Very high | 96.4 | Very high | 45 Ų | 45 | 53.7 Ų | 53.7 | 23% | 0.231 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.6 | -33.1 | 176.8 | -56.3 | 159.5 | 0 | 0 | 0 | 111.3 | I265 H299 A300 S301 E306 K307 | I265-I303 HydrophobicContact CD1-CB 4.14Å; I265-I303 HydrophobicContact CD1-CG2 3.33Å; H299-I303 WeakPolarHBondContact O-CG1 3.33Å; H299-I303 PolarHBondContact O-N 3.45Å; H299-I303 VanDerWaalsContact O-N 3.08Å; A300-I303 PolarHBondContact O-N 2.9Å; S301-I303 PolarHBondContact O-N 3.44Å; I303-E306 PolarHBondContact O-N 3.36Å; I303-K307 PolarHBondContact O-N 3.36Å |
| 304 | L | 96.3 | Very high | 96.3 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 174.4 | -71.5 | 172.8 | 0 | 0 | 0 | 111.9 | I265 I266 A300 S301 K302 E306 K307 G308 D309 T312 A313 F316 | I265-L304 HydrophobicContact CB-CD2 4.28Å; I265-L304 HydrophobicContact CG2-CD2 4.24Å; I265-L304 HydrophobicContact CG2-CG 4.36Å; I266-L304 HydrophobicContact CG1-CD2 4.22Å; A300-L304 WeakPolarHBondContact O-CG 3.43Å; A300-L304 PolarHBondContact O-N 2.98Å; A300-L304 VanDerWaalsContact O-N 3.09Å; S301-L304 WeakPolarHBondContact O-CB 3.33Å; S301-L304 PolarHBondContact O-N 3.43Å; S301-L304 VanDerWaalsContact O-N 3.12Å; K302-L304 VanDerWaalsContact C-N 3.3Å; K302-L304 PolarHBondContact O-N 2.9Å; L304-E306 PolarHBondContact O-N 3.21Å; L304-K307 CarbonylContact O-C 3.57Å; L304-K307 PolarHBondContact O-N 2.99Å; L304-K307 VanDerWaalsContact O-N 3.15Å; L304-G308 PolarHBondContact O-N 3.34Å; L304-D309 HydrophobicContact CB-CB 4.37Å; L304-D309 HydrophobicContact CD2-CB 4.22Å; L304-D309 PolarHBondContact O-N 2.99Å; L304-T312 HydrophobicContact CD1-CG2 3.8Å; L304-A313 HydrophobicContact CB-CB 3.82Å; L304-F316 HydrophobicContact CD1-CD2 3.48Å; L304-F316 VanDerWaalsContact CD1-CD2 3.48Å; L304-F316 HydrophobicContact CD1-CE2 3.49Å; L304-F316 VanDerWaalsContact CD1-CE2 3.49Å; L304-F316 HydrophobicContact CD1-CG 4.36Å; L304-F316 HydrophobicContact CD1-CZ 4.39Å |
| 305 | V | 95.9 | Very high | 96.3 | Very high | 84 Ų | 84 | 62.1 Ų | 62.1 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 170.1 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | S301 K302 K307 G308 A313 | S301-V305 PolarHBondContact O-N 3.05Å; K302-V305 WeakPolarHBondContact O-CB 3.16Å; K302-V305 PolarHBondContact O-N 3.17Å; V305-K307 PolarHBondContact O-N 2.94Å; V305-G308 PolarHBondContact O-N 3.13Å; V305-A313 HydrophobicContact CG2-CB 3.53Å |
| 306 | E | 95.3 | Very high | 96.2 | Very high | 162 Ų | 162 | 60.2 Ų | 60.2 | 76% | 0.757 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.1 | -26.8 | 177.3 | -70.7 | 175.3 | -176.8 | 0 | 0 | 113.4 | K302 I303 L304 | K302-E306 WeakPolarHBondContact O-CG 3.12Å; K302-E306 PolarHBondContact O-N 3.19Å; I303-E306 PolarHBondContact O-N 3.36Å; L304-E306 PolarHBondContact O-N 3.21Å |
| 307 | K | 94.4 | Very high | 96.2 | Very high | 129 Ų | 129 | 59 Ų | 59 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -88.2 | -5.5 | 173.6 | -73.2 | -168.9 | 177.1 | -173.3 | 0 | 114.5 | I265 I303 L304 V305 | I265-K307 HydrophobicContact CD1-CD 3.88Å; I303-K307 PolarHBondContact O-N 3.36Å; L304-K307 CarbonylContact O-C 3.57Å; L304-K307 PolarHBondContact O-N 2.99Å; L304-K307 VanDerWaalsContact O-N 3.15Å; V305-K307 PolarHBondContact O-N 2.94Å |
| 308 | G | 94.5 | Very high | 96.2 | Very high | 57 Ų | 57 | 61.3 Ų | 61.3 | 59% | 0.588 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | 2.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L304 V305 Q310 | L304-G308 PolarHBondContact O-N 3.34Å; V305-G308 PolarHBondContact O-N 3.13Å; G308-Q310 VanDerWaalsContact C-N 3.34Å; G308-Q310 PolarHBondContact O-N 3.23Å; G308-Q310 VanDerWaalsContact O-N 3.07Å |
| 309 | D | 94.6 | Very high | 96.2 | Very high | 45 Ų | 45 | 63.8 Ų | 63.8 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | trans | -84.9 | 76.3 | 176.8 | -175 | -11.2 | 0 | 0 | 0 | 110.1 | L304 T312 A313 | L304-D309 HydrophobicContact CB-CB 4.37Å; L304-D309 HydrophobicContact CD2-CB 4.22Å; L304-D309 PolarHBondContact O-N 2.99Å; D309-T312 VanDerWaalsContact CG-OG1 3.29Å; D309-T312 WeakPolarHBondContact OD1-CB 3.22Å; D309-T312 PolarHBondContact OD1-N 2.86Å; D309-T312 VanDerWaalsContact OD1-N 3.09Å; D309-T312 PolarHBondContact OD1-OG1 3.09Å; D309-T312 WeakPolarHBondContact OD2-CB 3.49Å; D309-T312 PolarHBondContact OD2-OG1 3.39Å; D309-T312 VanDerWaalsContact OD2-OG1 3.07Å; D309-A313 WeakPolarHBondContact O-CB 3.3Å; D309-A313 PolarHBondContact O-N 3.41Å; D309-A313 VanDerWaalsContact O-N 3.11Å | ||
| 310 | Q | 94.7 | Very high | 96.2 | Very high | 121 Ų | 121 | 58.5 Ų | 58.5 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.8 | -37.8 | -174.8 | -67.2 | -159.9 | 59.2 | 0 | 0 | 113.2 | G308 A313 R314 | G308-Q310 VanDerWaalsContact C-N 3.34Å; G308-Q310 PolarHBondContact O-N 3.23Å; G308-Q310 VanDerWaalsContact O-N 3.07Å; Q310-A313 PolarHBondContact O-N 3.08Å; Q310-R314 WeakPolarHBondContact O-CB 3.36Å; Q310-R314 VanDerWaalsContact O-CG 3.3Å; Q310-R314 WeakPolarHBondContact O-CG 3.45Å; Q310-R314 PolarHBondContact O-N 3.44Å |
| 311 | T | 96.6 | Very high | 96.2 | Very high | 100 Ų | 100 | 58.9 Ų | 58.9 | 61% | 0.613 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.5 | -50.1 | -176.7 | 50.8 | 0 | 0 | 0 | 0 | 110.9 | A313 R314 Q315 | T311-A313 VanDerWaalsContact C-N 3.27Å; T311-A313 PolarHBondContact O-N 2.99Å; T311-R314 PolarHBondContact O-N 2.92Å; T311-Q315 PolarHBondContact O-N 3.02Å |
| 312 | T | 95.5 | Very high | 96.2 | Very high | 20 Ų | 20 | 59.9 Ų | 59.9 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.9 | -31.6 | 176.5 | -44.5 | 0 | 0 | 0 | 0 | 111.5 | I266 L304 D309 Q315 F316 | I266-T312 HydrophobicContact CD1-CG2 3.97Å; I266-T312 HydrophobicContact CG1-CG2 4.09Å; I266-T312 HydrophobicContact CG2-CG2 4.48Å; L304-T312 HydrophobicContact CD1-CG2 3.8Å; D309-T312 VanDerWaalsContact CG-OG1 3.29Å; D309-T312 WeakPolarHBondContact OD1-CB 3.22Å; D309-T312 PolarHBondContact OD1-N 2.86Å; D309-T312 VanDerWaalsContact OD1-N 3.09Å; D309-T312 PolarHBondContact OD1-OG1 3.09Å; D309-T312 WeakPolarHBondContact OD2-CB 3.49Å; D309-T312 PolarHBondContact OD2-OG1 3.39Å; D309-T312 VanDerWaalsContact OD2-OG1 3.07Å; T312-Q315 PolarHBondContact O-N 2.96Å; T312-F316 HydrophobicContact CG2-CE1 4.21Å; T312-F316 HydrophobicContact CG2-CZ 4.21Å; T312-F316 PolarHBondContact O-N 3.17Å |
| 313 | A | 96.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 55 Ų | 55 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S301 L304 V305 D309 Q310 T311 Q315 F316 A317 | S301-A313 WeakPolarHBondContact O-CB 3.29Å; S301-A313 PolarHBondContact OG-O 2.86Å; L304-A313 HydrophobicContact CB-CB 3.82Å; V305-A313 HydrophobicContact CG2-CB 3.53Å; D309-A313 WeakPolarHBondContact O-CB 3.3Å; D309-A313 PolarHBondContact O-N 3.41Å; D309-A313 VanDerWaalsContact O-N 3.11Å; Q310-A313 PolarHBondContact O-N 3.08Å; T311-A313 VanDerWaalsContact C-N 3.27Å; T311-A313 PolarHBondContact O-N 2.99Å; A313-Q315 VanDerWaalsContact C-N 3.35Å; A313-F316 PolarHBondContact O-N 3.32Å; A313-A317 WeakPolarHBondContact O-CB 3.34Å; A313-A317 PolarHBondContact O-N 3.09Å |
| 314 | R | 96.2 | Very high | 96.3 | Very high | 107 Ų | 107 | 53.3 Ų | 53.3 | 40% | 0.404 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 174.4 | -75 | 175.9 | -175.3 | -147 | 0.3 | 110.3 | Q310 T311 A317 N318 D767 | Q310-R314 WeakPolarHBondContact O-CB 3.36Å; Q310-R314 VanDerWaalsContact O-CG 3.3Å; Q310-R314 WeakPolarHBondContact O-CG 3.45Å; Q310-R314 PolarHBondContact O-N 3.44Å; T311-R314 PolarHBondContact O-N 2.92Å; R314-A317 WeakPolarHBondContact O-CB 3.43Å; R314-A317 PolarHBondContact O-N 3.09Å; R314-N318 PolarHBondContact O-N 3.33Å; R314-D767 IonicContact CZ-OD1 2.81Å; R314-D767 IonicContact NH1-OD1 2.65Å; R314-D767 PolarHBondContact NH1-OD1 2.97Å; R314-D767 IonicContact NH2-OD1 2.87Å; R314-D767 PolarHBondContact NH2-OD1 2.92Å |
| 315 | Q | 96.7 | Very high | 96.3 | Very high | 70 Ų | 70 | 55.5 Ų | 55.5 | 33% | 0.327 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.7 | -51.9 | 174.8 | -70.6 | 179.7 | -16.1 | 0 | 0 | 112.2 | T311 T312 A313 A317 N318 D319 E772 | T311-Q315 PolarHBondContact O-N 3.02Å; T312-Q315 PolarHBondContact O-N 2.96Å; A313-Q315 VanDerWaalsContact C-N 3.35Å; Q315-A317 VanDerWaalsContact C-N 3.25Å; Q315-A317 PolarHBondContact O-N 3.43Å; Q315-N318 WeakPolarHBondContact O-CA 3.15Å; Q315-N318 WeakPolarHBondContact O-CB 3.24Å; Q315-N318 PolarHBondContact O-N 2.89Å; Q315-D319 PolarHBondContact O-N 3.5Å; Q315-E772 PolarHBondContact NE2-OE2 2.71Å |
| 316 | F | 97.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 4% | 0.044 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.5 | -30.3 | 177.7 | -74.9 | 0.9 | 0 | 0 | 0 | 113.2 | I266 T269 L297 A300 L304 T312 A313 T320 | I266-F316 HydrophobicContact CG2-CZ 4.34Å; T269-F316 HydrophobicContact CG2-CD2 4.08Å; T269-F316 HydrophobicContact CG2-CE2 3.5Å; T269-F316 HydrophobicContact CG2-CZ 3.78Å; L297-F316 HydrophobicContact CD1-CB 3.9Å; L297-F316 HydrophobicContact CD1-CD1 4.06Å; L297-F316 HydrophobicContact CD1-CD2 3.98Å; L297-F316 HydrophobicContact CD1-CG 3.72Å; L297-F316 HydrophobicContact CG-CB 4.31Å; A300-F316 HydrophobicContact CB-CD2 4.04Å; A300-F316 HydrophobicContact CB-CE2 4.3Å; L304-F316 HydrophobicContact CD1-CD2 3.48Å; L304-F316 VanDerWaalsContact CD1-CD2 3.48Å; L304-F316 HydrophobicContact CD1-CE2 3.49Å; L304-F316 VanDerWaalsContact CD1-CE2 3.49Å; L304-F316 HydrophobicContact CD1-CG 4.36Å; L304-F316 HydrophobicContact CD1-CZ 4.39Å; T312-F316 HydrophobicContact CG2-CE1 4.21Å; T312-F316 HydrophobicContact CG2-CZ 4.21Å; T312-F316 PolarHBondContact O-N 3.17Å; A313-F316 PolarHBondContact O-N 3.32Å; F316-T320 WeakPolarHBondContact O-CB 3.45Å; F316-T320 PolarHBondContact O-N 3.13Å; F316-T320 PolarHBondContact O-OG1 2.73Å |
| 317 | A | 97 | Very high | 96.4 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.9 | -33.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A313 R314 Q315 A321 Y344 R348 | A313-A317 WeakPolarHBondContact O-CB 3.34Å; A313-A317 PolarHBondContact O-N 3.09Å; R314-A317 WeakPolarHBondContact O-CB 3.43Å; R314-A317 PolarHBondContact O-N 3.09Å; Q315-A317 VanDerWaalsContact C-N 3.25Å; Q315-A317 PolarHBondContact O-N 3.43Å; A317-A321 PolarHBondContact O-N 2.73Å; A317-Y344 VanDerWaalsContact CA-OH 3.27Å; A317-Y344 WeakPolarHBondContact CA-OH 3.24Å; A317-Y344 PolarHBondContact O-OH 2.93Å; A317-R348 PolarHBondContact O-NH1 3.44Å |
| 318 | N | 97.2 | Very high | 96.5 | Very high | 54 Ų | 54 | 41.8 Ų | 41.8 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -72.4 | -45.4 | 172.8 | -70.8 | -19.6 | 0 | 0 | 0 | 111.6 | R314 Q315 T320 A321 A322 R348 | R314-N318 PolarHBondContact O-N 3.33Å; Q315-N318 WeakPolarHBondContact O-CA 3.15Å; Q315-N318 WeakPolarHBondContact O-CB 3.24Å; Q315-N318 PolarHBondContact O-N 2.89Å; N318-T320 PolarHBondContact O-N 2.87Å; N318-A321 WeakPolarHBondContact O-CB 3.04Å; N318-A321 PolarHBondContact O-N 3.08Å; N318-A322 PolarHBondContact O-N 3.13Å; N318-R348 PolarHBondContact OD1-NH1 2.96Å; N318-R348 PolarHBondContact OD1-NH2 3.46Å |
| 319 | D | 96.7 | Very high | 96.5 | Very high | 85 Ų | 85 | 41.9 Ų | 41.9 | 46% | 0.455 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.3 | -35 | 173.8 | -78 | -27.5 | 0 | 0 | 0 | 112.2 | L297 Q315 A322 M323 | L297-D319 HydrophobicContact CD2-CB 3.55Å; Q315-D319 PolarHBondContact O-N 3.5Å; D319-A322 PolarHBondContact O-N 3.09Å; D319-M323 WeakPolarHBondContact O-CB 3.37Å; D319-M323 PolarHBondContact O-N 2.75Å |
| 320 | T | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 174.8 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | A294 L297 D298 F316 N318 M323 Y324 Y344 | A294-T320 HydrophobicContact CB-CG2 4.1Å; A294-T320 WeakPolarHBondContact O-CG2 3.33Å; L297-T320 WeakPolarHBondContact CB-OG1 3.17Å; L297-T320 VanDerWaalsContact CG-OG1 3.29Å; L297-T320 WeakPolarHBondContact CG-OG1 3.26Å; D298-T320 HydrophobicContact CB-CG2 4.24Å; D298-T320 PolarHBondContact N-OG1 3.26Å; F316-T320 WeakPolarHBondContact O-CB 3.45Å; F316-T320 PolarHBondContact O-N 3.13Å; F316-T320 PolarHBondContact O-OG1 2.73Å; N318-T320 PolarHBondContact O-N 2.87Å; T320-M323 WeakPolarHBondContact O-CB 3.26Å; T320-M323 PolarHBondContact O-N 2.74Å; T320-Y324 HydrophobicContact CG2-CD2 4.37Å; T320-Y324 HydrophobicContact CG2-CE2 4.09Å; T320-Y324 WeakPolarHBondContact O-CD2 3.46Å; T320-Y324 PolarHBondContact O-N 3.34Å; T320-Y344 WeakPolarHBondContact CB-OH 3.4Å; T320-Y344 HydrophobicContact CG2-CD1 4.27Å; T320-Y344 HydrophobicContact CG2-CD2 4.09Å; T320-Y344 HydrophobicContact CG2-CE1 3.76Å; T320-Y344 HydrophobicContact CG2-CE2 3.59Å; T320-Y344 HydrophobicContact CG2-CG 4.42Å; T320-Y344 VanDerWaalsContact CG2-CZ 3.41Å |
| 321 | A | 97.8 | Very high | 96.5 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.5 | -41.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A317 N318 M323 Y324 E325 Y341 Y344 E345 | A317-A321 PolarHBondContact O-N 2.73Å; N318-A321 WeakPolarHBondContact O-CB 3.04Å; N318-A321 PolarHBondContact O-N 3.08Å; A321-M323 VanDerWaalsContact C-N 3.32Å; A321-M323 PolarHBondContact O-N 2.94Å; A321-Y324 PolarHBondContact O-N 3.13Å; A321-E325 PolarHBondContact O-N 3.26Å; A321-Y341 HydrophobicContact CB-CE2 4.22Å; A321-Y344 HydrophobicContact CB-CE1 4.14Å; A321-E345 WeakPolarHBondContact CB-OE1 3.42Å |
| 322 | A | 96.8 | Very high | 96.4 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 26% | 0.256 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64 | -34.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N318 D319 E325 R326 | N318-A322 PolarHBondContact O-N 3.13Å; D319-A322 PolarHBondContact O-N 3.09Å; A322-E325 PolarHBondContact O-N 3.15Å; A322-R326 WeakPolarHBondContact O-CB 3.28Å; A322-R326 VanDerWaalsContact O-CG 3.31Å; A322-R326 WeakPolarHBondContact O-CG 3.41Å; A322-R326 PolarHBondContact O-N 3.01Å |
| 323 | M | 96.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 171.8 | -174.7 | 63.4 | 80.3 | 0 | 0 | 111 | M273 L280 W290 A293 A294 D319 T320 A321 R326 A327 | M273-M323 HydrophobicContact CE-CE 3.31Å; L280-M323 HydrophobicContact CD1-SD 4.11Å; W290-M323 HydrophobicContact CE3-CG 4.12Å; W290-M323 HydrophobicContact CE3-SD 3.46Å; W290-M323 HydrophobicContact CZ3-CG 4.49Å; W290-M323 HydrophobicContact CZ3-SD 3.47Å; W290-M323 WeakPolarHBondContact CZ3-SD 3.28Å; A293-M323 HydrophobicContact CB-CE 4.05Å; A293-M323 HydrophobicContact CB-SD 4.43Å; A294-M323 HydrophobicContact CB-CB 4.41Å; A294-M323 HydrophobicContact CB-CG 4.05Å; D319-M323 WeakPolarHBondContact O-CB 3.37Å; D319-M323 PolarHBondContact O-N 2.75Å; T320-M323 WeakPolarHBondContact O-CB 3.26Å; T320-M323 PolarHBondContact O-N 2.74Å; A321-M323 VanDerWaalsContact C-N 3.32Å; A321-M323 PolarHBondContact O-N 2.94Å; M323-R326 VanDerWaalsContact CE-NH2 3.27Å; M323-R326 PolarHBondContact O-N 3.41Å; M323-R326 PolarHBondContact SD-NH2 3.38Å; M323-R326 VanDerWaalsContact SD-NH2 3.39Å; M323-A327 WeakPolarHBondContact O-CB 3.26Å; M323-A327 PolarHBondContact O-N 3.14Å |
| 324 | Y | 98 | Very high | 96.2 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 4% | 0.039 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.3 | -41.5 | 176.4 | -76.4 | -60.8 | 0 | 0 | 0 | 113.5 | A294 T320 A321 R326 A327 I328 A340 Y341 Y344 | A294-Y324 HydrophobicContact CB-CD1 4.43Å; A294-Y324 HydrophobicContact CB-CD2 4.15Å; A294-Y324 HydrophobicContact CB-CE1 3.9Å; A294-Y324 HydrophobicContact CB-CE2 3.61Å; A294-Y324 VanDerWaalsContact CB-CZ 3.46Å; T320-Y324 HydrophobicContact CG2-CD2 4.37Å; T320-Y324 HydrophobicContact CG2-CE2 4.09Å; T320-Y324 WeakPolarHBondContact O-CD2 3.46Å; T320-Y324 PolarHBondContact O-N 3.34Å; A321-Y324 PolarHBondContact O-N 3.13Å; Y324-R326 VanDerWaalsContact C-N 3.33Å; Y324-R326 PolarHBondContact O-N 3.05Å; Y324-A327 WeakPolarHBondContact O-CB 3.34Å; Y324-A327 PolarHBondContact O-N 3Å; Y324-A327 VanDerWaalsContact O-N 3.16Å; Y324-I328 WeakPolarHBondContact O-CG1 3.3Å; Y324-I328 PolarHBondContact O-N 3.2Å; Y324-A340 HydrophobicContact CE1-CB 3.78Å; Y324-Y341 VanDerWaalsContact CB-CD2 3.43Å; Y324-Y341 VanDerWaalsContact CB-CG 3.44Å; Y324-Y341 AromaticContact CD2-CD2 3.86Å; Y324-Y341 HydrophobicContact CD2-CD2 3.86Å; Y324-Y341 HydrophobicContact CD2-CG 4.37Å; Y324-Y341 AromaticContact CG-CD2 3.86Å; Y324-Y341 HydrophobicContact CG-CD2 3.86Å; Y324-Y341 AromaticContact CG-CG 3.95Å; Y324-Y341 HydrophobicContact CG-CG 3.95Å; Y324-Y344 HydrophobicContact CD2-CD1 4.2Å; Y324-Y344 HydrophobicContact CD2-CG 4.33Å; Y324-Y344 HydrophobicContact CE2-CD1 4.24Å; Y324-Y344 HydrophobicContact CE2-CD2 4.47Å; Y324-Y344 AromaticContact CE2-CG 3.92Å; Y324-Y344 HydrophobicContact CE2-CG 3.92Å |
| 325 | E | 96.8 | Very high | 96.2 | Very high | 53 Ų | 53 | 40 Ų | 40 | 25% | 0.248 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 175 | -74.4 | -73.7 | -175.4 | 0 | 0 | 111.9 | A321 A322 I328 A329 Y341 K353 K360 | A321-E325 PolarHBondContact O-N 3.26Å; A322-E325 PolarHBondContact O-N 3.15Å; E325-I328 WeakPolarHBondContact O-CG1 3.4Å; E325-A329 VanDerWaalsContact O-CB 3.29Å; E325-A329 WeakPolarHBondContact O-CB 3.32Å; E325-A329 PolarHBondContact O-N 3.36Å; E325-Y341 VanDerWaalsContact CD-OH 3.26Å; E325-Y341 HydrophobicContact CG-CE1 3.87Å; E325-Y341 WeakPolarHBondContact CG-OH 3.43Å; E325-Y341 WeakPolarHBondContact OE1-CE1 3.27Å; E325-Y341 PolarHBondContact OE1-OH 2.8Å; E325-K353 WeakPolarHBondContact OE1-CE 3.05Å; E325-K353 IonicContact OE1-NZ 2.68Å; E325-K353 PolarHBondContact OE1-NZ 3.12Å; E325-K360 IonicContact OE2-NZ 3.1Å; E325-K360 PolarHBondContact OE2-NZ 3.4Å; E325-K360 VanDerWaalsContact OE2-NZ 3.11Å |
| 326 | R | 96 | Very high | 96.3 | Very high | 84 Ų | 84 | 40.6 Ų | 40.6 | 32% | 0.317 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63 | -42.9 | 173.1 | -72.6 | -173.8 | -63.8 | 147.2 | -9.3 | 111.6 | E277 W290 A322 M323 Y324 A329 L330 | E277-R326 IonicContact OE1-CZ 3.15Å; E277-R326 IonicContact OE1-NH1 3.58Å; E277-R326 PolarHBondContact OE1-NH1 3.23Å; E277-R326 IonicContact OE1-NH2 3.15Å; E277-R326 PolarHBondContact OE1-NH2 2.68Å; E277-R326 IonicContact OE2-NH1 3.02Å; E277-R326 PolarHBondContact OE2-NH1 3.23Å; W290-R326 HydrophobicContact CH2-CB 3.89Å; W290-R326 HydrophobicContact CZ3-CB 3.73Å; A322-R326 WeakPolarHBondContact O-CB 3.28Å; A322-R326 VanDerWaalsContact O-CG 3.31Å; A322-R326 WeakPolarHBondContact O-CG 3.41Å; A322-R326 PolarHBondContact O-N 3.01Å; M323-R326 VanDerWaalsContact CE-NH2 3.27Å; M323-R326 PolarHBondContact O-N 3.41Å; M323-R326 PolarHBondContact SD-NH2 3.38Å; M323-R326 VanDerWaalsContact SD-NH2 3.39Å; Y324-R326 VanDerWaalsContact C-N 3.33Å; Y324-R326 PolarHBondContact O-N 3.05Å; R326-A329 PolarHBondContact O-N 2.9Å; R326-L330 PolarHBondContact O-N 3.43Å |
| 327 | A | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.3 | -49.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | W290 M323 Y324 A329 L330 L331 L337 | W290-A327 HydrophobicContact CB-CB 3.94Å; W290-A327 HydrophobicContact CD2-CB 3.45Å; W290-A327 VanDerWaalsContact CD2-CB 3.45Å; W290-A327 HydrophobicContact CE3-CB 3.47Å; W290-A327 VanDerWaalsContact CE3-CB 3.47Å; W290-A327 HydrophobicContact CG-CB 3.68Å; W290-A327 HydrophobicContact CZ3-CB 4.15Å; M323-A327 WeakPolarHBondContact O-CB 3.26Å; M323-A327 PolarHBondContact O-N 3.14Å; Y324-A327 WeakPolarHBondContact O-CB 3.34Å; Y324-A327 PolarHBondContact O-N 3Å; Y324-A327 VanDerWaalsContact O-N 3.16Å; A327-A329 VanDerWaalsContact C-N 3.34Å; A327-A329 PolarHBondContact O-N 3.1Å; A327-L330 PolarHBondContact O-N 3.47Å; A327-L331 WeakPolarHBondContact O-CB 3.36Å; A327-L331 PolarHBondContact O-N 3.29Å; A327-L337 HydrophobicContact CB-CD1 4.03Å; A327-L337 HydrophobicContact CB-CD2 4.26Å |
| 328 | I | 96.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -76.7 | -17 | 179.5 | 68.5 | 174.4 | 0 | 0 | 0 | 113.8 | Y324 E325 K332 L337 Y338 Y341 K360 | Y324-I328 WeakPolarHBondContact O-CG1 3.3Å; Y324-I328 PolarHBondContact O-N 3.2Å; E325-I328 WeakPolarHBondContact O-CG1 3.4Å; I328-K332 VanDerWaalsContact O-CA 3.3Å; I328-K332 WeakPolarHBondContact O-CA 3.44Å; I328-L337 HydrophobicContact CG2-CB 4.03Å; I328-Y338 HydrophobicContact CB-CD2 4.12Å; I328-Y338 HydrophobicContact CB-CE1 4.43Å; I328-Y338 HydrophobicContact CB-CE2 3.65Å; I328-Y338 HydrophobicContact CD1-CD1 4.21Å; I328-Y338 HydrophobicContact CD1-CE1 3.82Å; I328-Y338 HydrophobicContact CG2-CD1 4.48Å; I328-Y338 HydrophobicContact CG2-CD2 3.55Å; I328-Y338 HydrophobicContact CG2-CE2 3.64Å; I328-Y338 HydrophobicContact CG2-CG 4.02Å; I328-Y341 HydrophobicContact CD1-CD1 3.98Å; I328-Y341 HydrophobicContact CD1-CE1 4.09Å; I328-K360 HydrophobicContact CD1-CD 4.32Å; I328-K360 VanDerWaalsContact CD1-NZ 3.3Å |
| 329 | A | 94.1 | Very high | 96.4 | Very high | 60 Ų | 60 | 38.4 Ų | 38.4 | 50% | 0.496 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -71.8 | -34.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E325 R326 A327 K332 | E325-A329 VanDerWaalsContact O-CB 3.29Å; E325-A329 WeakPolarHBondContact O-CB 3.32Å; E325-A329 PolarHBondContact O-N 3.36Å; R326-A329 PolarHBondContact O-N 2.9Å; A327-A329 VanDerWaalsContact C-N 3.34Å; A327-A329 PolarHBondContact O-N 3.1Å; A329-K332 WeakPolarHBondContact O-CE 3.28Å; A329-K332 WeakPolarHBondContact O-CG 3.28Å |
| 330 | L | 93.8 | Very high | 96.5 | Very high | 35 Ų | 35 | 35 Ų | 35 | 18% | 0.183 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -82.9 | -57.4 | 173.6 | -176.5 | 61.7 | 0 | 0 | 0 | 111.2 | P58 V59 G284 W290 R326 A327 K332 | P58-L330 HydrophobicContact CG-CD1 3.62Å; V59-L330 HydrophobicContact CG1-CD2 4.28Å; G284-L330 WeakPolarHBondContact O-CD2 3.48Å; W290-L330 HydrophobicContact CZ2-CD2 3.95Å; R326-L330 PolarHBondContact O-N 3.43Å; A327-L330 PolarHBondContact O-N 3.47Å; L330-K332 VanDerWaalsContact C-N 3.33Å; L330-K332 PolarHBondContact O-N 2.99Å; L330-K332 VanDerWaalsContact O-N 3.17Å |
| 331 | L | 94.9 | Very high | 96.5 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -93 | 58.1 | -175.2 | -63 | 171.2 | 0 | 0 | 0 | 111.6 | H285 P287 A327 T333 N334 L337 | H285-L331 HydrophobicContact CB-CD2 3.98Å; P287-L331 HydrophobicContact CG-CD1 4.4Å; A327-L331 WeakPolarHBondContact O-CB 3.36Å; A327-L331 PolarHBondContact O-N 3.29Å; L331-T333 PolarHBondContact O-N 3.39Å; L331-N334 HydrophobicContact CB-CB 3.92Å; L331-N334 WeakPolarHBondContact O-CB 3.41Å; L331-N334 PolarHBondContact O-N 3.47Å; L331-L337 HydrophobicContact CB-CD1 4.02Å; L331-L337 HydrophobicContact CD1-CD1 3.55Å; L331-L337 HydrophobicContact CG-CD1 4.41Å |
| 332 | K | 94 | Very high | 96.5 | Very high | 133 Ų | 133 | 34.7 Ų | 34.7 | 58% | 0.578 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -32.2 | -167.6 | -62.9 | 178.8 | -176.5 | 176.1 | 0 | 115.8 | I328 A329 L330 Y338 L364 | I328-K332 VanDerWaalsContact O-CA 3.3Å; I328-K332 WeakPolarHBondContact O-CA 3.44Å; A329-K332 WeakPolarHBondContact O-CE 3.28Å; A329-K332 WeakPolarHBondContact O-CG 3.28Å; L330-K332 VanDerWaalsContact C-N 3.33Å; L330-K332 PolarHBondContact O-N 2.99Å; L330-K332 VanDerWaalsContact O-N 3.17Å; K332-Y338 VanDerWaalsContact O-CE2 3.25Å; K332-Y338 WeakPolarHBondContact O-CE2 3.21Å; K332-Y338 PolarHBondContact O-OH 3.38Å; K332-L364 WeakPolarHBondContact O-CD1 3.48Å |
| 333 | T | 93.5 | Very high | 96.5 | Very high | 79 Ų | 79 | 37 Ų | 37 | 49% | 0.485 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 0.7 | -177.7 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | L331 M335 I367 | L331-T333 PolarHBondContact O-N 3.39Å; T333-M335 PolarHBondContact O-N 3.02Å; T333-M335 VanDerWaalsContact O-N 3.09Å; T333-I367 HydrophobicContact CG2-CG2 4.04Å |
| 334 | N | 95.1 | Very high | 96.6 | Very high | 41 Ų | 41 | 38 Ų | 38 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | trans | -77.9 | 98 | -176.1 | -173 | -76.1 | 0 | 0 | 0 | 111.6 | P287 L331 M336 L337 Y338 | P287-N334 WeakPolarHBondContact CG-ND2 3.19Å; L331-N334 HydrophobicContact CB-CB 3.92Å; L331-N334 WeakPolarHBondContact O-CB 3.41Å; L331-N334 PolarHBondContact O-N 3.47Å; N334-M336 VanDerWaalsContact C-N 3.26Å; N334-M336 PolarHBondContact O-N 3.16Å; N334-M336 WeakPolarHBondContact OD1-CB 3.35Å; N334-M336 PolarHBondContact OD1-N 2.72Å; N334-L337 HydrophobicContact CB-CD1 4.22Å; N334-L337 PolarHBondContact O-N 3.41Å; N334-L337 PolarHBondContact OD1-N 3.23Å; N334-Y338 WeakPolarHBondContact O-CD2 3.48Å | ||
| 335 | M | 96.7 | Very high | 96.6 | Very high | 47 Ų | 47 | 37.7 Ų | 37.7 | 23% | 0.232 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.6 | -36 | -177.4 | -60 | 179.1 | -174.8 | 0 | 0 | 113.7 | T333 L337 Y338 F339 I367 D368 L371 P372 | T333-M335 PolarHBondContact O-N 3.02Å; T333-M335 VanDerWaalsContact O-N 3.09Å; M335-L337 PolarHBondContact O-N 3.12Å; M335-Y338 PolarHBondContact O-N 3.24Å; M335-F339 HydrophobicContact CB-CD2 4.49Å; M335-F339 HydrophobicContact CB-CE2 3.83Å; M335-F339 HydrophobicContact CB-CZ 3.85Å; M335-F339 WeakPolarHBondContact O-CD1 3.47Å; M335-F339 WeakPolarHBondContact O-CD2 3.37Å; M335-F339 WeakPolarHBondContact O-CG 3.42Å; M335-F339 PolarHBondContact O-N 3.26Å; M335-I367 HydrophobicContact CE-CB 3.94Å; M335-D368 WeakPolarHBondContact CE-O 3.39Å; M335-L371 HydrophobicContact SD-CB 4.49Å; M335-L371 HydrophobicContact SD-CD2 4.3Å; M335-P372 HydrophobicContact CE-CG 4.42Å; M335-P372 HydrophobicContact SD-CG 4.26Å |
| 336 | M | 97.3 | Very high | 96.6 | Very high | 83 Ų | 83 | 36.1 Ų | 36.1 | 41% | 0.409 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.6 | -43.9 | -176.9 | 176.2 | -81.9 | -152 | 0 | 0 | 111.7 | Y291 N334 Y338 F339 A340 | Y291-M336 HydrophobicContact CD1-CE 4.47Å; Y291-M336 HydrophobicContact CD2-CE 4.17Å; Y291-M336 HydrophobicContact CG-CE 3.9Å; N334-M336 VanDerWaalsContact C-N 3.26Å; N334-M336 PolarHBondContact O-N 3.16Å; N334-M336 WeakPolarHBondContact OD1-CB 3.35Å; N334-M336 PolarHBondContact OD1-N 2.72Å; M336-Y338 PolarHBondContact O-N 2.85Å; M336-F339 PolarHBondContact O-N 3.22Å; M336-A340 PolarHBondContact O-N 2.84Å |
| 337 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.3 | -34.7 | 178 | -71.8 | 167.8 | 0 | 0 | 0 | 112.8 | P287 W290 A327 I328 L331 N334 M335 Y341 | P287-L337 HydrophobicContact CB-CD1 4.04Å; P287-L337 HydrophobicContact CB-CG 4.16Å; W290-L337 HydrophobicContact CB-CD2 3.81Å; A327-L337 HydrophobicContact CB-CD1 4.03Å; A327-L337 HydrophobicContact CB-CD2 4.26Å; I328-L337 HydrophobicContact CG2-CB 4.03Å; L331-L337 HydrophobicContact CB-CD1 4.02Å; L331-L337 HydrophobicContact CD1-CD1 3.55Å; L331-L337 HydrophobicContact CG-CD1 4.41Å; N334-L337 HydrophobicContact CB-CD1 4.22Å; N334-L337 PolarHBondContact O-N 3.41Å; N334-L337 PolarHBondContact OD1-N 3.23Å; M335-L337 PolarHBondContact O-N 3.12Å; L337-Y341 VanDerWaalsContact O-CB 3.26Å; L337-Y341 WeakPolarHBondContact O-CB 3.44Å; L337-Y341 PolarHBondContact O-N 3.23Å |
| 338 | Y | 98.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.3 | -37.5 | 172.1 | -80 | -103 | 0 | 0 | 0 | 112.2 | I328 K332 N334 M335 M336 A342 I357 K360 L361 | I328-Y338 HydrophobicContact CB-CD2 4.12Å; I328-Y338 HydrophobicContact CB-CE1 4.43Å; I328-Y338 HydrophobicContact CB-CE2 3.65Å; I328-Y338 HydrophobicContact CD1-CD1 4.21Å; I328-Y338 HydrophobicContact CD1-CE1 3.82Å; I328-Y338 HydrophobicContact CG2-CD1 4.48Å; I328-Y338 HydrophobicContact CG2-CD2 3.55Å; I328-Y338 HydrophobicContact CG2-CE2 3.64Å; I328-Y338 HydrophobicContact CG2-CG 4.02Å; K332-Y338 VanDerWaalsContact O-CE2 3.25Å; K332-Y338 WeakPolarHBondContact O-CE2 3.21Å; K332-Y338 PolarHBondContact O-OH 3.38Å; N334-Y338 WeakPolarHBondContact O-CD2 3.48Å; M335-Y338 PolarHBondContact O-N 3.24Å; M336-Y338 PolarHBondContact O-N 2.85Å; Y338-A342 VanDerWaalsContact O-CB 3.26Å; Y338-A342 WeakPolarHBondContact O-CB 3.37Å; Y338-A342 PolarHBondContact O-N 2.9Å; Y338-I357 HydrophobicContact CD1-CG2 3.87Å; Y338-K360 HydrophobicContact CE1-CB 4.41Å; Y338-K360 HydrophobicContact CE1-CD 4.13Å; Y338-K360 HydrophobicContact CE1-CG 4.04Å; Y338-L361 HydrophobicContact CD1-CB 3.69Å; Y338-L361 HydrophobicContact CD1-CD1 4.09Å; Y338-L361 HydrophobicContact CD1-CD2 4.42Å; Y338-L361 HydrophobicContact CD1-CG 4.28Å; Y338-L361 HydrophobicContact CD2-CD1 3.84Å; Y338-L361 HydrophobicContact CE1-CB 3.99Å; Y338-L361 HydrophobicContact CE1-CD1 4.3Å; Y338-L361 HydrophobicContact CE2-CD1 4.07Å; Y338-L361 HydrophobicContact CG-CB 4.2Å; Y338-L361 HydrophobicContact CG-CD1 3.83Å; Y338-L361 HydrophobicContact CG-CD2 4.15Å; Y338-L361 HydrophobicContact CG-CG 4.28Å |
| 339 | F | 98.2 | Very high | 96.4 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 11% | 0.114 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.6 | -47.1 | 177.1 | -58.8 | -23.4 | 0 | 0 | 0 | 111.2 | M335 M336 Y341 A342 D343 Y358 L361 L371 P372 Q375 | M335-F339 HydrophobicContact CB-CD2 4.49Å; M335-F339 HydrophobicContact CB-CE2 3.83Å; M335-F339 HydrophobicContact CB-CZ 3.85Å; M335-F339 WeakPolarHBondContact O-CD1 3.47Å; M335-F339 WeakPolarHBondContact O-CD2 3.37Å; M335-F339 WeakPolarHBondContact O-CG 3.42Å; M335-F339 PolarHBondContact O-N 3.26Å; M336-F339 PolarHBondContact O-N 3.22Å; F339-Y341 VanDerWaalsContact C-N 3.29Å; F339-Y341 PolarHBondContact O-N 3.08Å; F339-A342 PolarHBondContact O-N 2.91Å; F339-A342 VanDerWaalsContact O-N 3.17Å; F339-D343 PolarHBondContact O-N 3.21Å; F339-Y358 AromaticContact CD1-CE1 3.88Å; F339-Y358 HydrophobicContact CD1-CE1 3.88Å; F339-Y358 HydrophobicContact CE1-CE1 4.12Å; F339-L361 HydrophobicContact CD1-CD2 4.28Å; F339-L361 HydrophobicContact CE1-CD2 3.64Å; F339-L361 HydrophobicContact CZ-CD2 4.4Å; F339-L371 HydrophobicContact CE2-CD2 3.95Å; F339-L371 HydrophobicContact CE2-CG 3.95Å; F339-L371 HydrophobicContact CZ-CD2 4.34Å; F339-L371 HydrophobicContact CZ-CG 3.95Å; F339-P372 HydrophobicContact CZ-CG 4.36Å; F339-Q375 HydrophobicContact CD1-CB 4.16Å; F339-Q375 HydrophobicContact CD1-CG 4.16Å; F339-Q375 HydrophobicContact CD2-CG 4.2Å; F339-Q375 HydrophobicContact CE1-CB 4.02Å; F339-Q375 HydrophobicContact CE1-CG 3.94Å; F339-Q375 HydrophobicContact CE2-CG 3.98Å; F339-Q375 HydrophobicContact CG-CG 4.3Å; F339-Q375 HydrophobicContact CZ-CB 4.41Å; F339-Q375 HydrophobicContact CZ-CG 3.85Å |
| 340 | A | 98.3 | Very high | 96.5 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 12% | 0.116 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.8 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y291 Y324 M336 Y344 | Y291-A340 HydrophobicContact CD2-CB 3.73Å; Y291-A340 HydrophobicContact CE2-CB 3.89Å; Y324-A340 HydrophobicContact CE1-CB 3.78Å; M336-A340 PolarHBondContact O-N 2.84Å; A340-Y344 VanDerWaalsContact O-CB 3.32Å; A340-Y344 WeakPolarHBondContact O-CB 3.19Å; A340-Y344 PolarHBondContact O-N 2.74Å |
| 341 | Y | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.1 | -40.1 | 175.6 | -175.5 | -155.4 | 0 | 0 | 0 | 112.9 | A321 Y324 E325 I328 L337 F339 Y344 E345 K353 I357 | A321-Y341 HydrophobicContact CB-CE2 4.22Å; Y324-Y341 VanDerWaalsContact CB-CD2 3.43Å; Y324-Y341 VanDerWaalsContact CB-CG 3.44Å; Y324-Y341 AromaticContact CD2-CD2 3.86Å; Y324-Y341 HydrophobicContact CD2-CD2 3.86Å; Y324-Y341 HydrophobicContact CD2-CG 4.37Å; Y324-Y341 AromaticContact CG-CD2 3.86Å; Y324-Y341 HydrophobicContact CG-CD2 3.86Å; Y324-Y341 AromaticContact CG-CG 3.95Å; Y324-Y341 HydrophobicContact CG-CG 3.95Å; E325-Y341 VanDerWaalsContact CD-OH 3.26Å; E325-Y341 HydrophobicContact CG-CE1 3.87Å; E325-Y341 WeakPolarHBondContact CG-OH 3.43Å; E325-Y341 WeakPolarHBondContact OE1-CE1 3.27Å; E325-Y341 PolarHBondContact OE1-OH 2.8Å; I328-Y341 HydrophobicContact CD1-CD1 3.98Å; I328-Y341 HydrophobicContact CD1-CE1 4.09Å; L337-Y341 VanDerWaalsContact O-CB 3.26Å; L337-Y341 WeakPolarHBondContact O-CB 3.44Å; L337-Y341 PolarHBondContact O-N 3.23Å; F339-Y341 VanDerWaalsContact C-N 3.29Å; F339-Y341 PolarHBondContact O-N 3.08Å; Y341-Y344 PolarHBondContact O-N 2.92Å; Y341-E345 HydrophobicContact CD2-CG 3.86Å; Y341-E345 HydrophobicContact CE2-CG 3.47Å; Y341-E345 VanDerWaalsContact CE2-CG 3.47Å; Y341-E345 PolarHBondContact O-N 3.19Å; Y341-K353 WeakPolarHBondContact OH-CE 3.31Å; Y341-K353 PolarHBondContact OH-NZ 3.04Å; Y341-I357 HydrophobicContact CD1-CD1 3.5Å; Y341-I357 HydrophobicContact CD1-CG1 3.77Å; Y341-I357 HydrophobicContact CD1-CG2 4.06Å; Y341-I357 HydrophobicContact CD2-CD1 3.97Å; Y341-I357 HydrophobicContact CE1-CD1 3.49Å; Y341-I357 VanDerWaalsContact CE1-CD1 3.49Å; Y341-I357 HydrophobicContact CE1-CG1 3.63Å; Y341-I357 HydrophobicContact CE2-CD1 3.95Å; Y341-I357 HydrophobicContact CG-CD1 3.74Å; Y341-I357 HydrophobicContact CG-CG1 4.48Å |
| 342 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y338 F339 Y344 E345 E346 V354 I357 Y358 | Y338-A342 VanDerWaalsContact O-CB 3.26Å; Y338-A342 WeakPolarHBondContact O-CB 3.37Å; Y338-A342 PolarHBondContact O-N 2.9Å; F339-A342 PolarHBondContact O-N 2.91Å; F339-A342 VanDerWaalsContact O-N 3.17Å; A342-Y344 VanDerWaalsContact C-N 3.3Å; A342-Y344 PolarHBondContact O-N 3.45Å; A342-E345 PolarHBondContact O-N 2.98Å; A342-E346 WeakPolarHBondContact O-CB 3.14Å; A342-E346 PolarHBondContact O-N 3.22Å; A342-V354 HydrophobicContact CB-CG1 4Å; A342-V354 WeakPolarHBondContact O-CG2 3.48Å; A342-I357 HydrophobicContact CB-CG2 4.22Å; A342-Y358 HydrophobicContact CB-CD2 4.28Å; A342-Y358 HydrophobicContact CB-CE1 4.24Å; A342-Y358 HydrophobicContact CB-CE2 3.6Å |
| 343 | D | 97.7 | Very high | 97 | Very high | 79 Ų | 79 | 46.1 Ų | 46.1 | 42% | 0.422 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64 | -34.3 | 175.3 | -75.1 | -45.3 | 0 | 0 | 0 | 111.4 | F339 G347 R382 | F339-D343 PolarHBondContact O-N 3.21Å; D343-G347 PolarHBondContact O-N 3.48Å; D343-R382 IonicContact OD1-NH2 2.71Å; D343-R382 PolarHBondContact OD1-NH2 2.89Å |
| 344 | Y | 97.8 | Very high | 97.2 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 9% | 0.09 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -49.7 | 174.8 | 179.8 | -104.6 | 0 | 0 | 0 | 112.5 | D298 A317 T320 A321 Y324 A340 Y341 A342 E346 G347 R348 | D298-Y344 HydrophobicContact CB-CE2 4.04Å; A317-Y344 VanDerWaalsContact CA-OH 3.27Å; A317-Y344 WeakPolarHBondContact CA-OH 3.24Å; A317-Y344 PolarHBondContact O-OH 2.93Å; T320-Y344 WeakPolarHBondContact CB-OH 3.4Å; T320-Y344 HydrophobicContact CG2-CD1 4.27Å; T320-Y344 HydrophobicContact CG2-CD2 4.09Å; T320-Y344 HydrophobicContact CG2-CE1 3.76Å; T320-Y344 HydrophobicContact CG2-CE2 3.59Å; T320-Y344 HydrophobicContact CG2-CG 4.42Å; T320-Y344 VanDerWaalsContact CG2-CZ 3.41Å; A321-Y344 HydrophobicContact CB-CE1 4.14Å; Y324-Y344 HydrophobicContact CD2-CD1 4.2Å; Y324-Y344 HydrophobicContact CD2-CG 4.33Å; Y324-Y344 HydrophobicContact CE2-CD1 4.24Å; Y324-Y344 HydrophobicContact CE2-CD2 4.47Å; Y324-Y344 AromaticContact CE2-CG 3.92Å; Y324-Y344 HydrophobicContact CE2-CG 3.92Å; A340-Y344 VanDerWaalsContact O-CB 3.32Å; A340-Y344 WeakPolarHBondContact O-CB 3.19Å; A340-Y344 PolarHBondContact O-N 2.74Å; Y341-Y344 PolarHBondContact O-N 2.92Å; A342-Y344 VanDerWaalsContact C-N 3.3Å; A342-Y344 PolarHBondContact O-N 3.45Å; Y344-E346 VanDerWaalsContact C-N 3.31Å; Y344-E346 PolarHBondContact O-N 2.95Å; Y344-G347 WeakPolarHBondContact O-CA 3.35Å; Y344-G347 PolarHBondContact O-N 2.84Å; Y344-G347 VanDerWaalsContact O-N 3.11Å; Y344-R348 HydrophobicContact CE1-CG 4.33Å; Y344-R348 PolarHBondContact O-N 3.35Å; Y344-R348 VanDerWaalsContact O-N 3.07Å |
| 345 | E | 97.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 2% | 0.023 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69 | -28.5 | 177.7 | -71 | -67.8 | 128.1 | 0 | 0 | 112.4 | A321 Y341 A342 R348 C349 K350 K353 V354 I357 | A321-E345 WeakPolarHBondContact CB-OE1 3.42Å; Y341-E345 HydrophobicContact CD2-CG 3.86Å; Y341-E345 HydrophobicContact CE2-CG 3.47Å; Y341-E345 VanDerWaalsContact CE2-CG 3.47Å; Y341-E345 PolarHBondContact O-N 3.19Å; A342-E345 PolarHBondContact O-N 2.98Å; E345-R348 CarbonylContact O-C 3.46Å; E345-R348 PolarHBondContact O-N 3.36Å; E345-R348 IonicContact OE1-NH1 2.83Å; E345-C349 PolarHBondContact O-N 3.33Å; E345-K350 HydrophobicContact CB-CB 4.47Å; E345-K350 PolarHBondContact O-N 3.34Å; E345-K350 WeakPolarHBondContact OE2-CB 3.31Å; E345-K350 WeakPolarHBondContact OE2-CD 3.39Å; E345-K353 HydrophobicContact CB-CG 4.44Å; E345-K353 HydrophobicContact CG-CG 3.98Å; E345-V354 HydrophobicContact CB-CG2 3.76Å; E345-I357 HydrophobicContact CB-CD1 4.26Å; E345-I357 HydrophobicContact CG-CD1 3.97Å |
| 346 | E | 97.3 | Very high | 97.4 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 167.7 | -174.3 | 179.4 | 176.1 | 0 | 0 | 111.4 | A342 Y344 R348 C349 Y351 V354 F379 R382 | A342-E346 WeakPolarHBondContact O-CB 3.14Å; A342-E346 PolarHBondContact O-N 3.22Å; Y344-E346 VanDerWaalsContact C-N 3.31Å; Y344-E346 PolarHBondContact O-N 2.95Å; E346-R348 PolarHBondContact O-N 2.89Å; E346-C349 WeakPolarHBondContact O-CA 3.3Å; E346-C349 PolarHBondContact O-N 3.07Å; E346-Y351 HydrophobicContact CG-CD1 4.33Å; E346-Y351 HydrophobicContact CG-CE1 4.02Å; E346-V354 HydrophobicContact CB-CG2 4.1Å; E346-F379 HydrophobicContact CB-CD2 4.47Å; E346-F379 HydrophobicContact CB-CE2 4.46Å; E346-F379 HydrophobicContact CG-CD2 4.13Å; E346-F379 HydrophobicContact CG-CE2 4.13Å; E346-F379 WeakPolarHBondContact OE2-CD2 3.5Å; E346-R382 WeakPolarHBondContact OE1-CD 3.4Å; E346-R382 WeakPolarHBondContact OE1-CG 3.13Å; E346-R382 IonicContact OE1-CZ 2.92Å; E346-R382 IonicContact OE1-NE 2.7Å; E346-R382 PolarHBondContact OE1-NE 3.47Å; E346-R382 IonicContact OE1-NH2 2.76Å; E346-R382 IonicContact OE2-CZ 3.41Å; E346-R382 IonicContact OE2-NE 3.13Å; E346-R382 PolarHBondContact OE2-NE 2.9Å; E346-R382 IonicContact OE2-NH2 2.76Å; E346-R382 PolarHBondContact OE2-NH2 3.48Å |
| 347 | G | 95.5 | Very high | 97.5 | Very high | 67 Ų | 67 | 37.8 Ų | 37.8 | 69% | 0.691 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -62.9 | -25.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114 | D343 Y344 C349 | D343-G347 PolarHBondContact O-N 3.48Å; Y344-G347 WeakPolarHBondContact O-CA 3.35Å; Y344-G347 PolarHBondContact O-N 2.84Å; Y344-G347 VanDerWaalsContact O-N 3.11Å; G347-C349 VanDerWaalsContact C-N 3.32Å |
| 348 | R | 94.9 | Very high | 97.5 | Very high | 66 Ų | 66 | 38 Ų | 38 | 25% | 0.249 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 6.1 | 169.8 | -61.5 | -175.3 | 73.2 | -175.8 | 10.7 | 113.7 | A317 N318 Y344 E345 E346 K350 | A317-R348 PolarHBondContact O-NH1 3.44Å; N318-R348 PolarHBondContact OD1-NH1 2.96Å; N318-R348 PolarHBondContact OD1-NH2 3.46Å; Y344-R348 HydrophobicContact CE1-CG 4.33Å; Y344-R348 PolarHBondContact O-N 3.35Å; Y344-R348 VanDerWaalsContact O-N 3.07Å; E345-R348 CarbonylContact O-C 3.46Å; E345-R348 PolarHBondContact O-N 3.36Å; E345-R348 IonicContact OE1-NH1 2.83Å; E346-R348 PolarHBondContact O-N 2.89Å; R348-K350 HydrophobicContact CB-CD 4.33Å; R348-K350 HydrophobicContact CB-CG 4.21Å; R348-K350 PolarHBondContact O-N 3.03Å; R348-K350 VanDerWaalsContact O-N 3.14Å |
| 349 | C | 95.6 | Very high | 97.4 | Very high | 81 Ų | 81 | 42.8 Ų | 42.8 | 55% | 0.547 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 18.7 | -173.5 | -59.5 | 0 | 0 | 0 | 0 | 115.2 | E345 E346 G347 Y351 | E345-C349 PolarHBondContact O-N 3.33Å; E346-C349 WeakPolarHBondContact O-CA 3.3Å; E346-C349 PolarHBondContact O-N 3.07Å; G347-C349 VanDerWaalsContact C-N 3.32Å; C349-Y351 HydrophobicContact CB-CE1 4.39Å; C349-Y351 HydrophobicContact CB-CE2 4.4Å; C349-Y351 PolarHBondContact O-N 3.22Å |
| 350 | K | 96.4 | Very high | 97.4 | Very high | 87 Ų | 87 | 45.4 Ų | 45.4 | 38% | 0.378 | 25% | 0.251 | S | S | . | . | trans | -84.2 | 54.2 | -179.2 | -71.5 | -178.3 | 171.1 | -173.6 | 0 | 111.5 | E345 R348 A352 K353 V354 | E345-K350 HydrophobicContact CB-CB 4.47Å; E345-K350 PolarHBondContact O-N 3.34Å; E345-K350 WeakPolarHBondContact OE2-CB 3.31Å; E345-K350 WeakPolarHBondContact OE2-CD 3.39Å; R348-K350 HydrophobicContact CB-CD 4.33Å; R348-K350 HydrophobicContact CB-CG 4.21Å; R348-K350 PolarHBondContact O-N 3.03Å; R348-K350 VanDerWaalsContact O-N 3.14Å; K350-A352 VanDerWaalsContact C-N 3.3Å; K350-A352 PolarHBondContact O-N 3.29Å; K350-A352 VanDerWaalsContact O-N 3.14Å; K350-K353 HydrophobicContact CB-CB 4.14Å; K350-K353 WeakPolarHBondContact O-CA 3.11Å; K350-K353 VanDerWaalsContact O-CB 3.26Å; K350-K353 WeakPolarHBondContact O-CB 3.15Å; K350-K353 PolarHBondContact O-N 3.09Å; K350-V354 PolarHBondContact O-N 2.96Å | ||
| 351 | Y | 97.5 | Very high | 97.3 | Very high | 84 Ų | 84 | 44.7 Ų | 44.7 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -54.7 | -38.7 | -170.1 | -52.1 | -44.3 | 0 | 0 | 0 | 114.2 | E346 C349 K353 V354 H355 F379 A383 | E346-Y351 HydrophobicContact CG-CD1 4.33Å; E346-Y351 HydrophobicContact CG-CE1 4.02Å; C349-Y351 HydrophobicContact CB-CE1 4.39Å; C349-Y351 HydrophobicContact CB-CE2 4.4Å; C349-Y351 PolarHBondContact O-N 3.22Å; Y351-K353 VanDerWaalsContact C-N 3.27Å; Y351-K353 PolarHBondContact O-N 3.01Å; Y351-V354 WeakPolarHBondContact O-CB 3.45Å; Y351-V354 PolarHBondContact O-N 2.78Å; Y351-V354 VanDerWaalsContact O-N 3.08Å; Y351-H355 PolarHBondContact O-CD2 2.69Å; Y351-H355 VanDerWaalsContact O-CD2 3.24Å; Y351-H355 PolarHBondContact O-N 2.94Å; Y351-F379 HydrophobicContact CD1-CE2 4.03Å; Y351-F379 HydrophobicContact CD1-CZ 4.45Å; Y351-A383 HydrophobicContact CD1-CB 3.95Å; Y351-A383 HydrophobicContact CE1-CB 3.95Å; Y351-A383 HydrophobicContact CG-CB 4.41Å |
| 352 | A | 97.5 | Very high | 97.2 | Very high | 85 Ų | 85 | 45.3 Ų | 45.3 | 70% | 0.702 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59 | -36.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | K350 S356 | K350-A352 VanDerWaalsContact C-N 3.3Å; K350-A352 PolarHBondContact O-N 3.29Å; K350-A352 VanDerWaalsContact O-N 3.14Å; A352-S356 PolarHBondContact O-N 2.98Å |
| 353 | K | 97.5 | Very high | 97.1 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68 | -42.1 | 174 | -174.8 | 70.6 | -178.8 | -175.3 | 0 | 110.7 | E325 Y341 E345 K350 Y351 H355 S356 I357 | E325-K353 WeakPolarHBondContact OE1-CE 3.05Å; E325-K353 IonicContact OE1-NZ 2.68Å; E325-K353 PolarHBondContact OE1-NZ 3.12Å; Y341-K353 WeakPolarHBondContact OH-CE 3.31Å; Y341-K353 PolarHBondContact OH-NZ 3.04Å; E345-K353 HydrophobicContact CB-CG 4.44Å; E345-K353 HydrophobicContact CG-CG 3.98Å; K350-K353 HydrophobicContact CB-CB 4.14Å; K350-K353 WeakPolarHBondContact O-CA 3.11Å; K350-K353 VanDerWaalsContact O-CB 3.26Å; K350-K353 WeakPolarHBondContact O-CB 3.15Å; K350-K353 PolarHBondContact O-N 3.09Å; Y351-K353 VanDerWaalsContact C-N 3.27Å; Y351-K353 PolarHBondContact O-N 3.01Å; K353-H355 VanDerWaalsContact C-N 3.34Å; K353-H355 PolarHBondContact O-N 2.63Å; K353-S356 WeakPolarHBondContact O-CA 3.19Å; K353-S356 WeakPolarHBondContact O-CB 3.46Å; K353-S356 PolarHBondContact O-N 2.83Å; K353-S356 PolarHBondContact O-OG 2.81Å; K353-I357 HydrophobicContact CG-CD1 4.14Å; K353-I357 WeakPolarHBondContact O-CG1 3.25Å; K353-I357 PolarHBondContact O-N 3.42Å |
| 354 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.7 | -44.7 | 175.4 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | A342 E345 E346 K350 Y351 S356 I357 Y358 F379 | A342-V354 HydrophobicContact CB-CG1 4Å; A342-V354 WeakPolarHBondContact O-CG2 3.48Å; E345-V354 HydrophobicContact CB-CG2 3.76Å; E346-V354 HydrophobicContact CB-CG2 4.1Å; K350-V354 PolarHBondContact O-N 2.96Å; Y351-V354 WeakPolarHBondContact O-CB 3.45Å; Y351-V354 PolarHBondContact O-N 2.78Å; Y351-V354 VanDerWaalsContact O-N 3.08Å; V354-S356 VanDerWaalsContact C-N 3.29Å; V354-S356 PolarHBondContact O-N 3.48Å; V354-I357 PolarHBondContact O-N 2.89Å; V354-Y358 HydrophobicContact CG1-CD2 3.75Å; V354-Y358 HydrophobicContact CG1-CE2 3.57Å; V354-Y358 WeakPolarHBondContact O-CD2 3.34Å; V354-Y358 PolarHBondContact O-N 2.88Å; V354-Y358 VanDerWaalsContact O-N 3.08Å; V354-F379 HydrophobicContact CB-CD2 4.44Å; V354-F379 HydrophobicContact CB-CE1 4.04Å; V354-F379 HydrophobicContact CB-CE2 3.84Å; V354-F379 HydrophobicContact CB-CZ 3.62Å; V354-F379 HydrophobicContact CG1-CD1 3.77Å; V354-F379 HydrophobicContact CG1-CD2 3.66Å; V354-F379 HydrophobicContact CG1-CE1 3.67Å; V354-F379 HydrophobicContact CG1-CE2 3.56Å; V354-F379 HydrophobicContact CG1-CG 3.76Å; V354-F379 HydrophobicContact CG1-CZ 3.57Å; V354-F379 HydrophobicContact CG2-CE2 4.17Å; V354-F379 HydrophobicContact CG2-CZ 4.35Å |
| 355 | H | 98.2 | Very high | 96.6 | Very high | 23 Ų | 23 | 54.5 Ų | 54.5 | 11% | 0.106 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.1 | -39.5 | 172 | -77.6 | -80.5 | 0 | 0 | 0 | 112.8 | Y351 K353 K359 Y376 F379 E384 | Y351-H355 PolarHBondContact O-CD2 2.69Å; Y351-H355 VanDerWaalsContact O-CD2 3.24Å; Y351-H355 PolarHBondContact O-N 2.94Å; K353-H355 VanDerWaalsContact C-N 3.34Å; K353-H355 PolarHBondContact O-N 2.63Å; H355-K359 VanDerWaalsContact O-CB 3.24Å; H355-K359 WeakPolarHBondContact O-CB 3.49Å; H355-K359 WeakPolarHBondContact O-CD 3.14Å; H355-K359 WeakPolarHBondContact O-CG 3.41Å; H355-K359 PolarHBondContact O-N 3.33Å; H355-Y376 AromaticContact CE1-CE2 3.88Å; H355-Y376 AromaticContact ND1-CE2 3.33Å; H355-Y376 VanDerWaalsContact ND1-CE2 3.33Å; H355-Y376 WeakPolarHBondContact ND1-CE2 3.29Å; H355-Y376 AromaticContact ND1-CZ 3.54Å; H355-Y376 PolarHBondContact ND1-OH 3.4Å; H355-F379 AromaticContact CD2-CE1 3.82Å; H355-F379 AromaticContact CE1-CE1 3.82Å; H355-F379 AromaticContact NE2-CE1 3.51Å; H355-F379 AromaticContact NE2-CZ 3.94Å; H355-E384 IonicContact CD2-OE1 2.74Å; H355-E384 IonicContact CE1-OE2 3.61Å; H355-E384 PolarHBondContact CE1-OE2 3.1Å; H355-E384 IonicContact NE2-OE1 3.57Å; H355-E384 PolarHBondContact NE2-OE1 3.41Å; H355-E384 VanDerWaalsContact NE2-OE1 3.09Å; H355-E384 IonicContact NE2-OE2 2.72Å; H355-E384 PolarHBondContact NE2-OE2 3.35Å; H355-E384 VanDerWaalsContact NE2-OE2 3.12Å |
| 356 | S | 97.8 | Very high | 96.1 | Very high | 51 Ų | 51 | 61.1 Ų | 61.1 | 36% | 0.357 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 177.5 | 82.1 | 0 | 0 | 0 | 0 | 112.4 | A352 K353 V354 K360 | A352-S356 PolarHBondContact O-N 2.98Å; K353-S356 WeakPolarHBondContact O-CA 3.19Å; K353-S356 WeakPolarHBondContact O-CB 3.46Å; K353-S356 PolarHBondContact O-N 2.83Å; K353-S356 PolarHBondContact O-OG 2.81Å; V354-S356 VanDerWaalsContact C-N 3.29Å; V354-S356 PolarHBondContact O-N 3.48Å; S356-K360 VanDerWaalsContact O-CB 3.24Å; S356-K360 WeakPolarHBondContact O-CB 3.43Å; S356-K360 PolarHBondContact O-N 3.17Å |
| 357 | I | 97.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.2 | -49.7 | 178.9 | -64.9 | 162.8 | 0 | 0 | 0 | 110.3 | Y338 Y341 A342 E345 K353 V354 K360 L361 | Y338-I357 HydrophobicContact CD1-CG2 3.87Å; Y341-I357 HydrophobicContact CD1-CD1 3.5Å; Y341-I357 HydrophobicContact CD1-CG1 3.77Å; Y341-I357 HydrophobicContact CD1-CG2 4.06Å; Y341-I357 HydrophobicContact CD2-CD1 3.97Å; Y341-I357 HydrophobicContact CE1-CD1 3.49Å; Y341-I357 VanDerWaalsContact CE1-CD1 3.49Å; Y341-I357 HydrophobicContact CE1-CG1 3.63Å; Y341-I357 HydrophobicContact CE2-CD1 3.95Å; Y341-I357 HydrophobicContact CG-CD1 3.74Å; Y341-I357 HydrophobicContact CG-CG1 4.48Å; A342-I357 HydrophobicContact CB-CG2 4.22Å; E345-I357 HydrophobicContact CB-CD1 4.26Å; E345-I357 HydrophobicContact CG-CD1 3.97Å; K353-I357 HydrophobicContact CG-CD1 4.14Å; K353-I357 WeakPolarHBondContact O-CG1 3.25Å; K353-I357 PolarHBondContact O-N 3.42Å; V354-I357 PolarHBondContact O-N 2.89Å; I357-K360 PolarHBondContact O-N 3.49Å; I357-L361 PolarHBondContact O-N 3.17Å |
| 358 | Y | 98.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 177.2 | -75.2 | -63.1 | 0 | 0 | 0 | 112.9 | F339 A342 V354 K360 L361 V362 Q375 Y376 F379 | F339-Y358 AromaticContact CD1-CE1 3.88Å; F339-Y358 HydrophobicContact CD1-CE1 3.88Å; F339-Y358 HydrophobicContact CE1-CE1 4.12Å; A342-Y358 HydrophobicContact CB-CD2 4.28Å; A342-Y358 HydrophobicContact CB-CE1 4.24Å; A342-Y358 HydrophobicContact CB-CE2 3.6Å; V354-Y358 HydrophobicContact CG1-CD2 3.75Å; V354-Y358 HydrophobicContact CG1-CE2 3.57Å; V354-Y358 WeakPolarHBondContact O-CD2 3.34Å; V354-Y358 PolarHBondContact O-N 2.88Å; V354-Y358 VanDerWaalsContact O-N 3.08Å; Y358-K360 PolarHBondContact O-N 3.17Å; Y358-L361 PolarHBondContact O-N 2.97Å; Y358-V362 WeakPolarHBondContact O-CG2 3.43Å; Y358-V362 PolarHBondContact O-N 3.42Å; Y358-Q375 HydrophobicContact CE1-CB 3.93Å; Y358-Y376 VanDerWaalsContact CB-CD2 3.49Å; Y358-Y376 HydrophobicContact CD1-CD2 4.5Å; Y358-Y376 HydrophobicContact CD1-CG 4.29Å; Y358-Y376 AromaticContact CD2-CD2 3.37Å; Y358-Y376 HydrophobicContact CD2-CD2 3.37Å; Y358-Y376 HydrophobicContact CD2-CE2 4.12Å; Y358-Y376 AromaticContact CD2-CG 3.97Å; Y358-Y376 HydrophobicContact CD2-CG 3.97Å; Y358-Y376 HydrophobicContact CE2-CD2 4.18Å; Y358-Y376 AromaticContact CG-CD2 3.56Å; Y358-Y376 HydrophobicContact CG-CD2 3.56Å; Y358-Y376 HydrophobicContact CG-CE2 4.37Å; Y358-Y376 AromaticContact CG-CG 3.69Å; Y358-Y376 HydrophobicContact CG-CG 3.69Å; Y358-F379 HydrophobicContact CD2-CD1 4.2Å; Y358-F379 HydrophobicContact CE2-CB 3.86Å; Y358-F379 HydrophobicContact CE2-CD1 4.06Å; Y358-F379 HydrophobicContact CE2-CG 4.01Å |
| 359 | K | 97.2 | Very high | 95.8 | Very high | 106 Ų | 106 | 58.3 Ų | 58.3 | 46% | 0.461 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 174.7 | -75.9 | 171.2 | -176.7 | 175.9 | 0 | 111.7 | H355 V362 S363 | H355-K359 VanDerWaalsContact O-CB 3.24Å; H355-K359 WeakPolarHBondContact O-CB 3.49Å; H355-K359 WeakPolarHBondContact O-CD 3.14Å; H355-K359 WeakPolarHBondContact O-CG 3.41Å; H355-K359 PolarHBondContact O-N 3.33Å; K359-V362 WeakPolarHBondContact O-CG2 3.28Å; K359-S363 WeakPolarHBondContact O-CB 3.5Å; K359-S363 PolarHBondContact O-N 3.3Å; K359-S363 VanDerWaalsContact O-N 3.12Å; K359-S363 PolarHBondContact O-OG 2.85Å |
| 360 | K | 96.8 | Very high | 95.9 | Very high | 80 Ų | 80 | 54.5 Ų | 54.5 | 35% | 0.348 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.6 | -48.6 | 172.8 | -179.1 | 179.4 | 174.3 | -179.4 | 0 | 110.6 | E325 I328 Y338 S356 I357 Y358 S363 | E325-K360 IonicContact OE2-NZ 3.1Å; E325-K360 PolarHBondContact OE2-NZ 3.4Å; E325-K360 VanDerWaalsContact OE2-NZ 3.11Å; I328-K360 HydrophobicContact CD1-CD 4.32Å; I328-K360 VanDerWaalsContact CD1-NZ 3.3Å; Y338-K360 HydrophobicContact CE1-CB 4.41Å; Y338-K360 HydrophobicContact CE1-CD 4.13Å; Y338-K360 HydrophobicContact CE1-CG 4.04Å; S356-K360 VanDerWaalsContact O-CB 3.24Å; S356-K360 WeakPolarHBondContact O-CB 3.43Å; S356-K360 PolarHBondContact O-N 3.17Å; I357-K360 PolarHBondContact O-N 3.49Å; Y358-K360 PolarHBondContact O-N 3.17Å; K360-S363 PolarHBondContact O-N 3.43Å; K360-S363 PolarHBondContact O-OG 2.9Å |
| 361 | L | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.4 | -54.4 | 178.4 | -175.1 | 59.6 | 0 | 0 | 0 | 112.8 | Y338 F339 I357 Y358 S363 L364 I367 P372 | Y338-L361 HydrophobicContact CD1-CB 3.69Å; Y338-L361 HydrophobicContact CD1-CD1 4.09Å; Y338-L361 HydrophobicContact CD1-CD2 4.42Å; Y338-L361 HydrophobicContact CD1-CG 4.28Å; Y338-L361 HydrophobicContact CD2-CD1 3.84Å; Y338-L361 HydrophobicContact CE1-CB 3.99Å; Y338-L361 HydrophobicContact CE1-CD1 4.3Å; Y338-L361 HydrophobicContact CE2-CD1 4.07Å; Y338-L361 HydrophobicContact CG-CB 4.2Å; Y338-L361 HydrophobicContact CG-CD1 3.83Å; Y338-L361 HydrophobicContact CG-CD2 4.15Å; Y338-L361 HydrophobicContact CG-CG 4.28Å; F339-L361 HydrophobicContact CD1-CD2 4.28Å; F339-L361 HydrophobicContact CE1-CD2 3.64Å; F339-L361 HydrophobicContact CZ-CD2 4.4Å; I357-L361 PolarHBondContact O-N 3.17Å; Y358-L361 PolarHBondContact O-N 2.97Å; L361-S363 PolarHBondContact O-N 2.97Å; L361-L364 HydrophobicContact CD1-CD1 4.24Å; L361-L364 WeakPolarHBondContact O-CB 3.37Å; L361-L364 WeakPolarHBondContact O-CG 3.23Å; L361-L364 PolarHBondContact O-N 3.42Å; L361-L364 VanDerWaalsContact O-N 3.13Å; L361-I367 HydrophobicContact CD1-CD1 3.61Å; L361-I367 HydrophobicContact CG-CD1 3.86Å; L361-I367 WeakPolarHBondContact O-CD1 3.35Å; L361-P372 HydrophobicContact CD2-CB 3.75Å; L361-P372 HydrophobicContact CD2-CG 3.7Å; L361-P372 HydrophobicContact CG-CB 4.05Å; L361-P372 HydrophobicContact CG-CG 3.95Å |
| 362 | V | 96.2 | Very high | 96 | Very high | 16 Ų | 16 | 50 Ų | 50 | 10% | 0.097 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.7 | -22.7 | -177 | -59.8 | 0 | 0 | 0 | 0 | 113.2 | Y358 K359 L364 P372 Y373 R401 | Y358-V362 WeakPolarHBondContact O-CG2 3.43Å; Y358-V362 PolarHBondContact O-N 3.42Å; K359-V362 WeakPolarHBondContact O-CG2 3.28Å; V362-L364 PolarHBondContact O-N 2.93Å; V362-P372 HydrophobicContact CG1-CB 3.76Å; V362-Y373 HydrophobicContact CB-CE1 4.21Å; V362-Y373 HydrophobicContact CB-CE2 4.45Å; V362-Y373 HydrophobicContact CG1-CD1 4.06Å; V362-Y373 HydrophobicContact CG1-CD2 4.44Å; V362-Y373 HydrophobicContact CG1-CE1 3.86Å; V362-Y373 HydrophobicContact CG1-CE2 4.26Å; V362-Y373 HydrophobicContact CG1-CG 4.33Å; V362-Y373 HydrophobicContact CG2-CE1 4.25Å; V362-R401 PolarHBondContact O-NH2 3.03Å |
| 363 | S | 95.6 | Very high | 96 | Very high | 85 Ų | 85 | 46.9 Ų | 46.9 | 59% | 0.594 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -14.2 | 175.5 | 74.8 | 0 | 0 | 0 | 0 | 114.4 | K359 K360 L361 | K359-S363 WeakPolarHBondContact O-CB 3.5Å; K359-S363 PolarHBondContact O-N 3.3Å; K359-S363 VanDerWaalsContact O-N 3.12Å; K359-S363 PolarHBondContact O-OG 2.85Å; K360-S363 PolarHBondContact O-N 3.43Å; K360-S363 PolarHBondContact O-OG 2.9Å; L361-S363 PolarHBondContact O-N 2.97Å |
| 364 | L | 94.5 | Very high | 96.1 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | trans | -72.1 | 128.6 | 177.1 | -58.9 | 177.6 | 0 | 0 | 0 | 110.8 | K332 L361 V362 I367 R401 | K332-L364 WeakPolarHBondContact O-CD1 3.48Å; L361-L364 HydrophobicContact CD1-CD1 4.24Å; L361-L364 WeakPolarHBondContact O-CB 3.37Å; L361-L364 WeakPolarHBondContact O-CG 3.23Å; L361-L364 PolarHBondContact O-N 3.42Å; L361-L364 VanDerWaalsContact O-N 3.13Å; V362-L364 PolarHBondContact O-N 2.93Å; L364-I367 HydrophobicContact CB-CD1 4.32Å; L364-I367 HydrophobicContact CB-CG1 4.26Å; L364-I367 HydrophobicContact CB-CG2 4.42Å; L364-R401 PolarHBondContact O-NH1 3.09Å | ||
| 365 | E | 90.7 | Very high | 96.1 | Very high | 165 Ų | 165 | 46.5 Ų | 46.5 | 77% | 0.771 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -39.5 | -178.7 | -62.7 | -178.1 | 163.4 | 0 | 0 | 112.5 | I367 | E365-I367 VanDerWaalsContact C-N 3.26Å; E365-I367 PolarHBondContact O-N 3.16Å; E365-I367 VanDerWaalsContact O-N 3.11Å |
| 366 | N | 87.7 | Confident | 96.1 | Very high | 145 Ų | 145 | 45.4 Ų | 45.4 | 78% | 0.775 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 28.1 | -169.9 | -64.1 | -25.8 | 0 | 0 | 0 | 114.9 | ||
| 367 | I | 92.2 | Very high | 96.1 | Very high | 19 Ų | 19 | 43 Ų | 43 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -132.9 | 154.8 | 176.7 | 72.3 | 170.4 | 0 | 0 | 0 | 111.2 | T333 M335 L361 L364 E365 P369 P372 | T333-I367 HydrophobicContact CG2-CG2 4.04Å; M335-I367 HydrophobicContact CE-CB 3.94Å; L361-I367 HydrophobicContact CD1-CD1 3.61Å; L361-I367 HydrophobicContact CG-CD1 3.86Å; L361-I367 WeakPolarHBondContact O-CD1 3.35Å; L364-I367 HydrophobicContact CB-CD1 4.32Å; L364-I367 HydrophobicContact CB-CG1 4.26Å; L364-I367 HydrophobicContact CB-CG2 4.42Å; E365-I367 VanDerWaalsContact C-N 3.26Å; E365-I367 PolarHBondContact O-N 3.16Å; E365-I367 VanDerWaalsContact O-N 3.11Å; I367-P369 VanDerWaalsContact O-CD 3.29Å; I367-P369 WeakPolarHBondContact O-CD 3.49Å; I367-P372 HydrophobicContact CD1-CG 4.02Å |
| 368 | D | 94.1 | Very high | 96 | Very high | 74 Ų | 74 | 45.3 Ų | 45.3 | 40% | 0.396 | 23% | 0.228 | S | C | . | . | trans | -75.1 | 113 | 160.7 | 177.8 | -0.7 | 0 | 0 | 0 | 108.5 | M335 T370 P372 | M335-D368 WeakPolarHBondContact CE-O 3.39Å; D368-T370 PolarHBondContact O-N 3.49Å; D368-T370 WeakPolarHBondContact OD1-CB 3.29Å; D368-T370 PolarHBondContact OD1-N 3.02Å; D368-T370 PolarHBondContact OD1-OG1 3.48Å; D368-P372 WeakPolarHBondContact O-CD 3.26Å | ||
| 369 | P | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -78.9 | -2.9 | -178.5 | 36.7 | -38.3 | 0 | 0 | 0 | 112.7 | I367 L371 P372 Y373 R401 I402 | I367-P369 VanDerWaalsContact O-CD 3.29Å; I367-P369 WeakPolarHBondContact O-CD 3.49Å; P369-L371 PolarHBondContact O-N 3.23Å; P369-P372 WeakPolarHBondContact O-CB 3.32Å; P369-P372 WeakPolarHBondContact O-CD 3.12Å; P369-Y373 HydrophobicContact CB-CD2 3.86Å; P369-Y373 HydrophobicContact CB-CE2 3.65Å; P369-Y373 HydrophobicContact CG-CD2 4.37Å; P369-Y373 HydrophobicContact CG-CE2 4.06Å; P369-Y373 WeakPolarHBondContact O-CD2 3.36Å; P369-Y373 PolarHBondContact O-N 3.19Å; P369-R401 HydrophobicContact CG-CB 3.8Å; P369-I402 HydrophobicContact CG-CG2 4.13Å | ||
| 370 | T | 97.2 | Very high | 96 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.2 | -53.2 | -178 | -49 | 0 | 0 | 0 | 0 | 112.1 | D368 Y373 I374 T403 H405 V406 | D368-T370 PolarHBondContact O-N 3.49Å; D368-T370 WeakPolarHBondContact OD1-CB 3.29Å; D368-T370 PolarHBondContact OD1-N 3.02Å; D368-T370 PolarHBondContact OD1-OG1 3.48Å; T370-Y373 PolarHBondContact O-N 3Å; T370-I374 HydrophobicContact CG2-CD1 4.07Å; T370-I374 VanDerWaalsContact O-CG1 3.31Å; T370-I374 WeakPolarHBondContact O-CG1 3.36Å; T370-I374 PolarHBondContact O-N 2.9Å; T370-T403 VanDerWaalsContact CG2-OG1 3.29Å; T370-T403 WeakPolarHBondContact CG2-OG1 3.1Å; T370-T403 PolarHBondContact OG1-N 3.21Å; T370-T403 PolarHBondContact OG1-OG1 2.95Å; T370-H405 HydrophobicContact CG2-CB 3.91Å; T370-V406 HydrophobicContact CG2-CB 4.1Å |
| 371 | L | 97.5 | Very high | 96 | Very high | 77 Ų | 77 | 40.3 Ų | 40.3 | 40% | 0.403 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.7 | -43.7 | 179.6 | -179.2 | 63 | 0 | 0 | 0 | 111.9 | M335 F339 P369 Y373 I374 Q375 | M335-L371 HydrophobicContact SD-CB 4.49Å; M335-L371 HydrophobicContact SD-CD2 4.3Å; F339-L371 HydrophobicContact CE2-CD2 3.95Å; F339-L371 HydrophobicContact CE2-CG 3.95Å; F339-L371 HydrophobicContact CZ-CD2 4.34Å; F339-L371 HydrophobicContact CZ-CG 3.95Å; P369-L371 PolarHBondContact O-N 3.23Å; L371-Y373 PolarHBondContact O-N 2.69Å; L371-I374 PolarHBondContact O-N 3.45Å; L371-I374 VanDerWaalsContact O-N 3.17Å; L371-Q375 HydrophobicContact CD1-CG 4.36Å; L371-Q375 PolarHBondContact O-N 3.21Å |
| 372 | P | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -48.8 | -49 | 166.5 | -33.2 | 37.2 | 0 | 0 | 0 | 114.9 | M335 F339 L361 V362 I367 D368 P369 I374 Q375 Y376 | M335-P372 HydrophobicContact CE-CG 4.42Å; M335-P372 HydrophobicContact SD-CG 4.26Å; F339-P372 HydrophobicContact CZ-CG 4.36Å; L361-P372 HydrophobicContact CD2-CB 3.75Å; L361-P372 HydrophobicContact CD2-CG 3.7Å; L361-P372 HydrophobicContact CG-CB 4.05Å; L361-P372 HydrophobicContact CG-CG 3.95Å; V362-P372 HydrophobicContact CG1-CB 3.76Å; I367-P372 HydrophobicContact CD1-CG 4.02Å; D368-P372 WeakPolarHBondContact O-CD 3.26Å; P369-P372 WeakPolarHBondContact O-CB 3.32Å; P369-P372 WeakPolarHBondContact O-CD 3.12Å; P372-I374 PolarHBondContact O-N 3.47Å; P372-Q375 PolarHBondContact O-N 3.39Å; P372-Y376 WeakPolarHBondContact O-CB 3.45Å; P372-Y376 PolarHBondContact O-N 3.23Å |
| 373 | Y | 98.3 | Very high | 96 | Very high | 18 Ų | 18 | 43.6 Ų | 43.6 | 7% | 0.071 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.3 | -35.4 | 177 | -76.6 | -60.3 | 0 | 0 | 0 | 112.8 | V362 P369 T370 L371 Y376 M377 V392 L395 A396 D399 I402 | V362-Y373 HydrophobicContact CB-CE1 4.21Å; V362-Y373 HydrophobicContact CB-CE2 4.45Å; V362-Y373 HydrophobicContact CG1-CD1 4.06Å; V362-Y373 HydrophobicContact CG1-CD2 4.44Å; V362-Y373 HydrophobicContact CG1-CE1 3.86Å; V362-Y373 HydrophobicContact CG1-CE2 4.26Å; V362-Y373 HydrophobicContact CG1-CG 4.33Å; V362-Y373 HydrophobicContact CG2-CE1 4.25Å; P369-Y373 HydrophobicContact CB-CD2 3.86Å; P369-Y373 HydrophobicContact CB-CE2 3.65Å; P369-Y373 HydrophobicContact CG-CD2 4.37Å; P369-Y373 HydrophobicContact CG-CE2 4.06Å; P369-Y373 WeakPolarHBondContact O-CD2 3.36Å; P369-Y373 PolarHBondContact O-N 3.19Å; T370-Y373 PolarHBondContact O-N 3Å; L371-Y373 PolarHBondContact O-N 2.69Å; Y373-Y376 HydrophobicContact CD1-CD1 4.44Å; Y373-M377 WeakPolarHBondContact O-CB 3.42Å; Y373-M377 PolarHBondContact O-N 3.13Å; Y373-V392 HydrophobicContact CD1-CG1 4.37Å; Y373-L395 HydrophobicContact CE1-CB 4.26Å; Y373-A396 HydrophobicContact CD1-CB 3.66Å; Y373-A396 HydrophobicContact CD2-CB 3.77Å; Y373-A396 HydrophobicContact CE1-CB 4.17Å; Y373-A396 HydrophobicContact CE2-CB 4.26Å; Y373-A396 HydrophobicContact CG-CB 3.46Å; Y373-A396 VanDerWaalsContact CG-CB 3.46Å; Y373-D399 HydrophobicContact CE2-CB 3.87Å; Y373-D399 WeakPolarHBondContact CE2-OD2 3.48Å; Y373-D399 PolarHBondContact OH-OD2 3.34Å; Y373-D399 VanDerWaalsContact OH-OD2 3.13Å; Y373-I402 HydrophobicContact CD2-CG2 3.55Å; Y373-I402 HydrophobicContact CE2-CG2 3.81Å |
| 374 | I | 98.2 | Very high | 96 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 9% | 0.087 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 174.7 | -72.3 | 166.8 | 0 | 0 | 0 | 110.7 | T370 L371 P372 M377 R378 H405 V406 | T370-I374 HydrophobicContact CG2-CD1 4.07Å; T370-I374 VanDerWaalsContact O-CG1 3.31Å; T370-I374 WeakPolarHBondContact O-CG1 3.36Å; T370-I374 PolarHBondContact O-N 2.9Å; L371-I374 PolarHBondContact O-N 3.45Å; L371-I374 VanDerWaalsContact O-N 3.17Å; P372-I374 PolarHBondContact O-N 3.47Å; I374-M377 PolarHBondContact O-N 3.38Å; I374-R378 VanDerWaalsContact O-CG 3.27Å; I374-R378 WeakPolarHBondContact O-CG 3.46Å; I374-R378 PolarHBondContact O-N 3.23Å; I374-H405 HydrophobicContact CD1-CB 3.82Å; I374-V406 HydrophobicContact CG1-CB 4.2Å; I374-V406 HydrophobicContact CG1-CG2 4.22Å |
| 375 | Q | 98.2 | Very high | 96 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 23% | 0.229 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.6 | -42.5 | 178.8 | -60.2 | -58.1 | -3.3 | 0 | 0 | 111.9 | F339 Y358 L371 P372 M377 R378 F379 | F339-Q375 HydrophobicContact CD1-CB 4.16Å; F339-Q375 HydrophobicContact CD1-CG 4.16Å; F339-Q375 HydrophobicContact CD2-CG 4.2Å; F339-Q375 HydrophobicContact CE1-CB 4.02Å; F339-Q375 HydrophobicContact CE1-CG 3.94Å; F339-Q375 HydrophobicContact CE2-CG 3.98Å; F339-Q375 HydrophobicContact CG-CG 4.3Å; F339-Q375 HydrophobicContact CZ-CB 4.41Å; F339-Q375 HydrophobicContact CZ-CG 3.85Å; Y358-Q375 HydrophobicContact CE1-CB 3.93Å; L371-Q375 HydrophobicContact CD1-CG 4.36Å; L371-Q375 PolarHBondContact O-N 3.21Å; P372-Q375 PolarHBondContact O-N 3.39Å; Q375-M377 VanDerWaalsContact C-N 3.3Å; Q375-M377 PolarHBondContact O-N 2.93Å; Q375-R378 WeakPolarHBondContact O-CB 3.37Å; Q375-R378 PolarHBondContact O-N 2.95Å; Q375-R378 VanDerWaalsContact O-N 3.13Å; Q375-R378 VanDerWaalsContact OE1-CD 3.24Å; Q375-F379 PolarHBondContact O-N 3.12Å |
| 376 | Y | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -38.9 | 176.6 | -175.6 | -154.8 | 0 | 0 | 0 | 112.4 | H355 Y358 P372 Y373 F379 A380 V392 | H355-Y376 AromaticContact CE1-CE2 3.88Å; H355-Y376 AromaticContact ND1-CE2 3.33Å; H355-Y376 VanDerWaalsContact ND1-CE2 3.33Å; H355-Y376 WeakPolarHBondContact ND1-CE2 3.29Å; H355-Y376 AromaticContact ND1-CZ 3.54Å; H355-Y376 PolarHBondContact ND1-OH 3.4Å; Y358-Y376 VanDerWaalsContact CB-CD2 3.49Å; Y358-Y376 HydrophobicContact CD1-CD2 4.5Å; Y358-Y376 HydrophobicContact CD1-CG 4.29Å; Y358-Y376 AromaticContact CD2-CD2 3.37Å; Y358-Y376 HydrophobicContact CD2-CD2 3.37Å; Y358-Y376 HydrophobicContact CD2-CE2 4.12Å; Y358-Y376 AromaticContact CD2-CG 3.97Å; Y358-Y376 HydrophobicContact CD2-CG 3.97Å; Y358-Y376 HydrophobicContact CE2-CD2 4.18Å; Y358-Y376 AromaticContact CG-CD2 3.56Å; Y358-Y376 HydrophobicContact CG-CD2 3.56Å; Y358-Y376 HydrophobicContact CG-CE2 4.37Å; Y358-Y376 AromaticContact CG-CG 3.69Å; Y358-Y376 HydrophobicContact CG-CG 3.69Å; P372-Y376 WeakPolarHBondContact O-CB 3.45Å; P372-Y376 PolarHBondContact O-N 3.23Å; Y373-Y376 HydrophobicContact CD1-CD1 4.44Å; Y376-F379 AromaticContact CD2-CD1 3.96Å; Y376-F379 HydrophobicContact CD2-CD1 3.96Å; Y376-F379 HydrophobicContact CE2-CD1 4.21Å; Y376-F379 HydrophobicContact CE2-CE1 4.4Å; Y376-A380 WeakPolarHBondContact O-CB 3.41Å; Y376-A380 PolarHBondContact O-N 3.43Å; Y376-V392 HydrophobicContact CD1-CB 4.35Å; Y376-V392 HydrophobicContact CD1-CG1 3.39Å; Y376-V392 HydrophobicContact CD1-CG2 3.99Å; Y376-V392 HydrophobicContact CD2-CG2 4.22Å; Y376-V392 HydrophobicContact CE1-CB 4.44Å; Y376-V392 HydrophobicContact CE1-CG1 3.9Å; Y376-V392 HydrophobicContact CE1-CG2 3.77Å; Y376-V392 HydrophobicContact CE2-CG2 4.04Å; Y376-V392 HydrophobicContact CG-CG1 3.76Å; Y376-V392 HydrophobicContact CG-CG2 4.19Å |
| 377 | M | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.4 | -37.3 | 175.3 | -179 | 178.1 | 64.7 | 0 | 0 | 112.2 | Y373 I374 Q375 R381 A389 V392 F393 A410 M413 | Y373-M377 WeakPolarHBondContact O-CB 3.42Å; Y373-M377 PolarHBondContact O-N 3.13Å; I374-M377 PolarHBondContact O-N 3.38Å; Q375-M377 VanDerWaalsContact C-N 3.3Å; Q375-M377 PolarHBondContact O-N 2.93Å; M377-R381 WeakPolarHBondContact O-CB 3.42Å; M377-R381 PolarHBondContact O-N 2.69Å; M377-A389 HydrophobicContact CG-CB 4.18Å; M377-V392 HydrophobicContact CB-CB 4.35Å; M377-V392 HydrophobicContact CB-CG1 3.93Å; M377-F393 HydrophobicContact SD-CB 3.95Å; M377-F393 HydrophobicContact SD-CD2 4.4Å; M377-F393 HydrophobicContact SD-CG 4.46Å; M377-A410 HydrophobicContact CE-CB 3.93Å; M377-A410 HydrophobicContact SD-CB 3.75Å; M377-M413 HydrophobicContact CE-CE 4.47Å; M377-M413 HydrophobicContact CE-SD 4.47Å; M377-M413 HydrophobicContact CG-CE 3.74Å; M377-M413 HydrophobicContact CG-SD 3.73Å; M377-M413 HydrophobicContact SD-CE 3.67Å; M377-M413 HydrophobicContact SD-SD 4.2Å |
| 378 | R | 96.5 | Very high | 96.8 | Very high | 49 Ų | 49 | 37 Ų | 37 | 19% | 0.185 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.9 | -47 | 173.8 | -73.7 | 164.3 | 174.8 | -137.2 | -1.8 | 111.4 | I374 Q375 R381 R382 G564 | I374-R378 VanDerWaalsContact O-CG 3.27Å; I374-R378 WeakPolarHBondContact O-CG 3.46Å; I374-R378 PolarHBondContact O-N 3.23Å; Q375-R378 WeakPolarHBondContact O-CB 3.37Å; Q375-R378 PolarHBondContact O-N 2.95Å; Q375-R378 VanDerWaalsContact O-N 3.13Å; Q375-R378 VanDerWaalsContact OE1-CD 3.24Å; R378-R381 PolarHBondContact O-N 3.39Å; R378-R382 VanDerWaalsContact O-CB 3.23Å; R378-R382 WeakPolarHBondContact O-CB 3.41Å; R378-R382 PolarHBondContact O-N 3.46Å; R378-G564 VanDerWaalsContact CZ-O 3.26Å; R378-G564 PolarHBondContact NH1-O 3.1Å; R378-G564 PolarHBondContact NH2-O 3.27Å |
| 379 | F | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.5 | -57.2 | 171.8 | 157.1 | -105.3 | 0 | 0 | 0 | 111.1 | E346 Y351 V354 H355 Y358 Q375 Y376 R381 R382 A383 | E346-F379 HydrophobicContact CB-CD2 4.47Å; E346-F379 HydrophobicContact CB-CE2 4.46Å; E346-F379 HydrophobicContact CG-CD2 4.13Å; E346-F379 HydrophobicContact CG-CE2 4.13Å; E346-F379 WeakPolarHBondContact OE2-CD2 3.5Å; Y351-F379 HydrophobicContact CD1-CE2 4.03Å; Y351-F379 HydrophobicContact CD1-CZ 4.45Å; V354-F379 HydrophobicContact CB-CD2 4.44Å; V354-F379 HydrophobicContact CB-CE1 4.04Å; V354-F379 HydrophobicContact CB-CE2 3.84Å; V354-F379 HydrophobicContact CB-CZ 3.62Å; V354-F379 HydrophobicContact CG1-CD1 3.77Å; V354-F379 HydrophobicContact CG1-CD2 3.66Å; V354-F379 HydrophobicContact CG1-CE1 3.67Å; V354-F379 HydrophobicContact CG1-CE2 3.56Å; V354-F379 HydrophobicContact CG1-CG 3.76Å; V354-F379 HydrophobicContact CG1-CZ 3.57Å; V354-F379 HydrophobicContact CG2-CE2 4.17Å; V354-F379 HydrophobicContact CG2-CZ 4.35Å; H355-F379 AromaticContact CD2-CE1 3.82Å; H355-F379 AromaticContact CE1-CE1 3.82Å; H355-F379 AromaticContact NE2-CE1 3.51Å; H355-F379 AromaticContact NE2-CZ 3.94Å; Y358-F379 HydrophobicContact CD2-CD1 4.2Å; Y358-F379 HydrophobicContact CE2-CB 3.86Å; Y358-F379 HydrophobicContact CE2-CD1 4.06Å; Y358-F379 HydrophobicContact CE2-CG 4.01Å; Q375-F379 PolarHBondContact O-N 3.12Å; Y376-F379 AromaticContact CD2-CD1 3.96Å; Y376-F379 HydrophobicContact CD2-CD1 3.96Å; Y376-F379 HydrophobicContact CE2-CD1 4.21Å; Y376-F379 HydrophobicContact CE2-CE1 4.4Å; F379-R381 PolarHBondContact O-N 2.71Å; F379-R382 WeakPolarHBondContact O-CA 3.49Å; F379-R382 WeakPolarHBondContact O-CB 3.15Å; F379-R382 PolarHBondContact O-N 2.98Å; F379-A383 HydrophobicContact CD2-CB 4.1Å; F379-A383 HydrophobicContact CE2-CB 3.63Å; F379-A383 HydrophobicContact CZ-CB 4.27Å; F379-A383 PolarHBondContact O-N 3.25Å |
| 380 | A | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.8 | -39.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y376 E384 G385 V392 | Y376-A380 WeakPolarHBondContact O-CB 3.41Å; Y376-A380 PolarHBondContact O-N 3.43Å; A380-E384 CarbonylContact O-C 3.52Å; A380-E384 WeakPolarHBondContact O-CA 3.26Å; A380-E384 WeakPolarHBondContact O-CB 3.48Å; A380-E384 PolarHBondContact O-N 3Å; A380-G385 PolarHBondContact O-N 2.92Å; A380-G385 VanDerWaalsContact O-N 3.1Å; A380-V392 HydrophobicContact CB-CG2 3.75Å |
| 381 | R | 97.1 | Very high | 97 | Very high | 84 Ų | 84 | 43.5 Ų | 43.5 | 32% | 0.317 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.2 | -36 | 174 | -170 | -133 | 58.8 | 83.9 | -11.6 | 113.4 | M377 R378 F379 G385 I386 A389 M413 C417 | M377-R381 WeakPolarHBondContact O-CB 3.42Å; M377-R381 PolarHBondContact O-N 2.69Å; R378-R381 PolarHBondContact O-N 3.39Å; F379-R381 PolarHBondContact O-N 2.71Å; R381-G385 WeakPolarHBondContact O-CA 3.48Å; R381-G385 PolarHBondContact O-N 3.26Å; R381-I386 HydrophobicContact CG-CD1 4.37Å; R381-A389 HydrophobicContact CB-CB 3.62Å; R381-A389 HydrophobicContact CG-CB 4.24Å; R381-M413 HydrophobicContact CB-SD 3.69Å; R381-M413 HydrophobicContact CG-CG 4.01Å; R381-M413 HydrophobicContact CG-SD 3.7Å; R381-C417 VanDerWaalsContact CD-SG 3.51Å |
| 382 | R | 95.4 | Very high | 97.1 | Very high | 52 Ų | 52 | 39.8 Ų | 39.8 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -77.4 | -48 | -175.3 | 172.2 | 170.3 | 58.8 | -165.6 | 3.5 | 111.9 | D343 E346 R378 F379 S568 H569 | D343-R382 IonicContact OD1-NH2 2.71Å; D343-R382 PolarHBondContact OD1-NH2 2.89Å; E346-R382 WeakPolarHBondContact OE1-CD 3.4Å; E346-R382 WeakPolarHBondContact OE1-CG 3.13Å; E346-R382 IonicContact OE1-CZ 2.92Å; E346-R382 IonicContact OE1-NE 2.7Å; E346-R382 PolarHBondContact OE1-NE 3.47Å; E346-R382 IonicContact OE1-NH2 2.76Å; E346-R382 IonicContact OE2-CZ 3.41Å; E346-R382 IonicContact OE2-NE 3.13Å; E346-R382 PolarHBondContact OE2-NE 2.9Å; E346-R382 IonicContact OE2-NH2 2.76Å; E346-R382 PolarHBondContact OE2-NH2 3.48Å; R378-R382 VanDerWaalsContact O-CB 3.23Å; R378-R382 WeakPolarHBondContact O-CB 3.41Å; R378-R382 PolarHBondContact O-N 3.46Å; F379-R382 WeakPolarHBondContact O-CA 3.49Å; F379-R382 WeakPolarHBondContact O-CB 3.15Å; F379-R382 PolarHBondContact O-N 2.98Å; R382-S568 PolarHBondContact NH1-O 2.93Å; R382-S568 PolarHBondContact NH1-OG 3.4Å; R382-H569 VanDerWaalsContact CD-CE1 3.5Å; R382-H569 WeakPolarHBondContact CD-CE1 3.44Å; R382-H569 WeakPolarHBondContact CD-NE2 3.43Å |
| 383 | A | 96 | Very high | 97 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 27% | 0.273 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -87.2 | -38.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y351 F379 | Y351-A383 HydrophobicContact CD1-CB 3.95Å; Y351-A383 HydrophobicContact CE1-CB 3.95Å; Y351-A383 HydrophobicContact CG-CB 4.41Å; F379-A383 HydrophobicContact CD2-CB 4.1Å; F379-A383 HydrophobicContact CE2-CB 3.63Å; F379-A383 HydrophobicContact CZ-CB 4.27Å; F379-A383 PolarHBondContact O-N 3.25Å |
| 384 | E | 96 | Very high | 97 | Very high | 91 Ų | 91 | 45.3 Ų | 45.3 | 43% | 0.425 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -118.8 | -1.8 | -169.7 | -50.9 | -172.4 | 136.7 | 0 | 0 | 113.9 | H355 A380 S388 | H355-E384 IonicContact CD2-OE1 2.74Å; H355-E384 IonicContact CE1-OE2 3.61Å; H355-E384 PolarHBondContact CE1-OE2 3.1Å; H355-E384 IonicContact NE2-OE1 3.57Å; H355-E384 PolarHBondContact NE2-OE1 3.41Å; H355-E384 VanDerWaalsContact NE2-OE1 3.09Å; H355-E384 IonicContact NE2-OE2 2.72Å; H355-E384 PolarHBondContact NE2-OE2 3.35Å; H355-E384 VanDerWaalsContact NE2-OE2 3.12Å; A380-E384 CarbonylContact O-C 3.52Å; A380-E384 WeakPolarHBondContact O-CA 3.26Å; A380-E384 WeakPolarHBondContact O-CB 3.48Å; A380-E384 PolarHBondContact O-N 3Å; E384-S388 WeakPolarHBondContact OE2-CB 3.43Å; E384-S388 PolarHBondContact OE2-OG 3.16Å |
| 385 | G | 95.1 | Very high | 97 | Very high | 29 Ų | 29 | 47 Ų | 47 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | trans | 81.8 | -176.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A380 R381 M387 S388 A389 | A380-G385 PolarHBondContact O-N 2.92Å; A380-G385 VanDerWaalsContact O-N 3.1Å; R381-G385 WeakPolarHBondContact O-CA 3.48Å; R381-G385 PolarHBondContact O-N 3.26Å; G385-M387 VanDerWaalsContact C-N 3.31Å; G385-M387 PolarHBondContact O-N 3.06Å; G385-S388 PolarHBondContact O-N 3.21Å; G385-A389 PolarHBondContact O-N 3.17Å | ||
| 386 | I | 95 | Very high | 96.9 | Very high | 48 Ų | 48 | 44.6 Ų | 44.6 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -28.7 | -163.6 | -164.4 | 61.6 | 0 | 0 | 0 | 114.2 | R381 A389 R390 M413 | R381-I386 HydrophobicContact CG-CD1 4.37Å; I386-A389 PolarHBondContact O-N 2.97Å; I386-R390 WeakPolarHBondContact O-CG 3.3Å; I386-R390 PolarHBondContact O-N 3.05Å; I386-M413 HydrophobicContact CD1-CE 4.12Å |
| 387 | M | 96.2 | Very high | 96.8 | Very high | 131 Ų | 131 | 49.1 Ų | 49.1 | 65% | 0.645 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -72.1 | -38.3 | -178 | -67.7 | -58.3 | -68.1 | 0 | 0 | 112.4 | G385 R390 Y391 | G385-M387 VanDerWaalsContact C-N 3.31Å; G385-M387 PolarHBondContact O-N 3.06Å; M387-R390 PolarHBondContact O-N 3.4Å; M387-Y391 PolarHBondContact O-N 3.05Å; M387-Y391 VanDerWaalsContact O-N 3.09Å |
| 388 | S | 96.7 | Very high | 96.8 | Very high | 21 Ų | 21 | 54.5 Ų | 54.5 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 172.8 | -171.6 | 0 | 0 | 0 | 0 | 111 | E384 G385 R390 Y391 V392 | E384-S388 WeakPolarHBondContact OE2-CB 3.43Å; E384-S388 PolarHBondContact OE2-OG 3.16Å; G385-S388 PolarHBondContact O-N 3.21Å; S388-R390 VanDerWaalsContact C-N 3.31Å; S388-R390 PolarHBondContact O-N 3.07Å; S388-Y391 WeakPolarHBondContact O-CA 3.36Å; S388-Y391 WeakPolarHBondContact O-CB 3.34Å; S388-Y391 PolarHBondContact O-N 3.15Å; S388-V392 PolarHBondContact O-N 3.25Å |
| 389 | A | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M377 R381 G385 I386 Y391 V392 F393 M413 | M377-A389 HydrophobicContact CG-CB 4.18Å; R381-A389 HydrophobicContact CB-CB 3.62Å; R381-A389 HydrophobicContact CG-CB 4.24Å; G385-A389 PolarHBondContact O-N 3.17Å; I386-A389 PolarHBondContact O-N 2.97Å; A389-Y391 VanDerWaalsContact C-N 3.34Å; A389-V392 PolarHBondContact O-N 3.38Å; A389-F393 PolarHBondContact O-N 2.66Å; A389-M413 HydrophobicContact CB-CE 3.65Å; A389-M413 HydrophobicContact CB-SD 3.84Å |
| 390 | R | 97.3 | Very high | 96.5 | Very high | 86 Ų | 86 | 58 Ų | 58 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65 | -35 | 173.5 | -74 | 172.6 | -178.8 | 173.8 | 5.4 | 112.7 | I386 M387 S388 F393 K394 E414 I423 | I386-R390 WeakPolarHBondContact O-CG 3.3Å; I386-R390 PolarHBondContact O-N 3.05Å; M387-R390 PolarHBondContact O-N 3.4Å; S388-R390 VanDerWaalsContact C-N 3.31Å; S388-R390 PolarHBondContact O-N 3.07Å; R390-F393 PolarHBondContact O-N 3.15Å; R390-K394 PolarHBondContact O-N 2.69Å; R390-E414 IonicContact CZ-OE1 2.77Å; R390-E414 VanDerWaalsContact CZ-OE1 3.27Å; R390-E414 IonicContact CZ-OE2 3.1Å; R390-E414 IonicContact NE-OE1 3.93Å; R390-E414 PolarHBondContact NE-OE1 3.37Å; R390-E414 IonicContact NE-OE2 3.1Å; R390-E414 VanDerWaalsContact NH2-CD 3.28Å; R390-E414 IonicContact NH2-OE1 2.75Å; R390-E414 PolarHBondContact NH2-OE1 3.31Å; R390-E414 IonicContact NH2-OE2 3.92Å; R390-E414 PolarHBondContact NH2-OE2 3.28Å; R390-I423 VanDerWaalsContact NH2-CD1 3.27Å |
| 391 | Y | 97.6 | Very high | 96.4 | Very high | 125 Ų | 125 | 62 Ų | 62 | 49% | 0.49 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 172.7 | 174.8 | -99.6 | 0 | 0 | 0 | 111.5 | M387 S388 A389 F393 K394 L395 | M387-Y391 PolarHBondContact O-N 3.05Å; M387-Y391 VanDerWaalsContact O-N 3.09Å; S388-Y391 WeakPolarHBondContact O-CA 3.36Å; S388-Y391 WeakPolarHBondContact O-CB 3.34Å; S388-Y391 PolarHBondContact O-N 3.15Å; A389-Y391 VanDerWaalsContact C-N 3.34Å; Y391-F393 VanDerWaalsContact C-N 3.35Å; Y391-F393 PolarHBondContact O-N 3.1Å; Y391-K394 WeakPolarHBondContact O-CB 3.35Å; Y391-K394 PolarHBondContact O-N 3.32Å; Y391-K394 VanDerWaalsContact O-N 3.15Å; Y391-L395 HydrophobicContact CD1-CD1 4.2Å; Y391-L395 HydrophobicContact CE1-CD1 3.63Å; Y391-L395 HydrophobicContact CE1-CG 4.19Å; Y391-L395 PolarHBondContact O-N 3.37Å |
| 392 | V | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 173.2 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | Y373 Y376 M377 A380 S388 A389 K394 L395 A396 | Y373-V392 HydrophobicContact CD1-CG1 4.37Å; Y376-V392 HydrophobicContact CD1-CB 4.35Å; Y376-V392 HydrophobicContact CD1-CG1 3.39Å; Y376-V392 HydrophobicContact CD1-CG2 3.99Å; Y376-V392 HydrophobicContact CD2-CG2 4.22Å; Y376-V392 HydrophobicContact CE1-CB 4.44Å; Y376-V392 HydrophobicContact CE1-CG1 3.9Å; Y376-V392 HydrophobicContact CE1-CG2 3.77Å; Y376-V392 HydrophobicContact CE2-CG2 4.04Å; Y376-V392 HydrophobicContact CG-CG1 3.76Å; Y376-V392 HydrophobicContact CG-CG2 4.19Å; M377-V392 HydrophobicContact CB-CB 4.35Å; M377-V392 HydrophobicContact CB-CG1 3.93Å; A380-V392 HydrophobicContact CB-CG2 3.75Å; S388-V392 PolarHBondContact O-N 3.25Å; A389-V392 PolarHBondContact O-N 3.38Å; V392-K394 VanDerWaalsContact C-N 3.3Å; V392-K394 PolarHBondContact O-N 2.96Å; V392-L395 PolarHBondContact O-N 2.8Å; V392-A396 PolarHBondContact O-N 2.99Å |
| 393 | F | 97.7 | Very high | 96.4 | Very high | 16 Ų | 16 | 57.9 Ų | 57.9 | 7% | 0.07 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.7 | -33.6 | 175.2 | -178.1 | -125.4 | 0 | 0 | 0 | 112.8 | M377 A389 R390 Y391 R397 V406 Y407 A410 I427 | M377-F393 HydrophobicContact SD-CB 3.95Å; M377-F393 HydrophobicContact SD-CD2 4.4Å; M377-F393 HydrophobicContact SD-CG 4.46Å; A389-F393 PolarHBondContact O-N 2.66Å; R390-F393 PolarHBondContact O-N 3.15Å; Y391-F393 VanDerWaalsContact C-N 3.35Å; Y391-F393 PolarHBondContact O-N 3.1Å; F393-R397 HydrophobicContact CD2-CG 4.35Å; F393-R397 HydrophobicContact CE1-CG 4.37Å; F393-R397 HydrophobicContact CE2-CG 3.96Å; F393-R397 HydrophobicContact CZ-CG 3.97Å; F393-R397 VanDerWaalsContact O-CG 3.27Å; F393-R397 WeakPolarHBondContact O-CG 3.34Å; F393-R397 PolarHBondContact O-N 2.93Å; F393-R397 VanDerWaalsContact O-N 3.11Å; F393-V406 HydrophobicContact CD2-CG2 4.32Å; F393-Y407 HydrophobicContact CE2-CD1 4.35Å; F393-Y407 HydrophobicContact CE2-CD2 4.43Å; F393-Y407 HydrophobicContact CE2-CG 4.27Å; F393-Y407 AromaticContact CZ-CD1 3.84Å; F393-Y407 HydrophobicContact CZ-CD1 3.84Å; F393-Y407 HydrophobicContact CZ-CE1 4.04Å; F393-Y407 HydrophobicContact CZ-CG 4.19Å; F393-A410 HydrophobicContact CD1-CB 4.14Å; F393-A410 HydrophobicContact CD2-CB 3.55Å; F393-A410 HydrophobicContact CE1-CB 4.17Å; F393-A410 HydrophobicContact CE2-CB 3.6Å; F393-A410 HydrophobicContact CG-CB 3.85Å; F393-A410 HydrophobicContact CZ-CB 3.92Å; F393-I427 HydrophobicContact CE1-CD1 4.38Å; F393-I427 HydrophobicContact CE1-CG1 4.19Å; F393-I427 HydrophobicContact CE1-CG2 4.07Å; F393-I427 HydrophobicContact CZ-CG2 3.8Å |
| 394 | K | 97.7 | Very high | 96.4 | Very high | 118 Ų | 118 | 58.1 Ų | 58.1 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.7 | -51.5 | 171 | -174.5 | -170.1 | 171.5 | -170.5 | 0 | 110.8 | R390 Y391 V392 A396 R397 D398 | R390-K394 PolarHBondContact O-N 2.69Å; Y391-K394 WeakPolarHBondContact O-CB 3.35Å; Y391-K394 PolarHBondContact O-N 3.32Å; Y391-K394 VanDerWaalsContact O-N 3.15Å; V392-K394 VanDerWaalsContact C-N 3.3Å; V392-K394 PolarHBondContact O-N 2.96Å; K394-A396 VanDerWaalsContact C-N 3.3Å; K394-A396 PolarHBondContact O-N 3.31Å; K394-R397 WeakPolarHBondContact O-CB 3.48Å; K394-R397 PolarHBondContact O-N 3.29Å; K394-R397 VanDerWaalsContact O-N 3.1Å; K394-D398 PolarHBondContact O-N 3.35Å |
| 395 | L | 97 | Very high | 96.4 | Very high | 51 Ų | 51 | 57.1 Ų | 57.1 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.6 | -44.9 | 177 | -64.7 | 177.2 | 0 | 0 | 0 | 111.9 | Y373 Y391 V392 R397 D398 D399 | Y373-L395 HydrophobicContact CE1-CB 4.26Å; Y391-L395 HydrophobicContact CD1-CD1 4.2Å; Y391-L395 HydrophobicContact CE1-CD1 3.63Å; Y391-L395 HydrophobicContact CE1-CG 4.19Å; Y391-L395 PolarHBondContact O-N 3.37Å; V392-L395 PolarHBondContact O-N 2.8Å; L395-R397 VanDerWaalsContact C-N 3.29Å; L395-R397 PolarHBondContact O-N 3.37Å; L395-D398 PolarHBondContact O-N 3.06Å; L395-D399 PolarHBondContact O-N 3.49Å |
| 396 | A | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.7 | -38.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y373 V392 K394 D399 I402 V406 | Y373-A396 HydrophobicContact CD1-CB 3.66Å; Y373-A396 HydrophobicContact CD2-CB 3.77Å; Y373-A396 HydrophobicContact CE1-CB 4.17Å; Y373-A396 HydrophobicContact CE2-CB 4.26Å; Y373-A396 HydrophobicContact CG-CB 3.46Å; Y373-A396 VanDerWaalsContact CG-CB 3.46Å; V392-A396 PolarHBondContact O-N 2.99Å; K394-A396 VanDerWaalsContact C-N 3.3Å; K394-A396 PolarHBondContact O-N 3.31Å; A396-D399 WeakPolarHBondContact O-CB 3.42Å; A396-D399 PolarHBondContact O-N 3.47Å; A396-I402 WeakPolarHBondContact O-CD1 3.33Å; A396-I402 VanDerWaalsContact O-CG1 3.29Å; A396-I402 WeakPolarHBondContact O-CG1 3.45Å; A396-I402 WeakPolarHBondContact O-CG2 3.41Å; A396-V406 HydrophobicContact CB-CG2 3.97Å |
| 397 | R | 96.8 | Very high | 96.7 | Very high | 96 Ų | 96 | 53.9 Ų | 53.9 | 36% | 0.362 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.5 | -32.2 | 179.4 | -74.9 | 172.5 | 48.7 | -159.8 | -10.9 | 113.6 | F393 K394 L395 Y407 R434 | F393-R397 HydrophobicContact CD2-CG 4.35Å; F393-R397 HydrophobicContact CE1-CG 4.37Å; F393-R397 HydrophobicContact CE2-CG 3.96Å; F393-R397 HydrophobicContact CZ-CG 3.97Å; F393-R397 VanDerWaalsContact O-CG 3.27Å; F393-R397 WeakPolarHBondContact O-CG 3.34Å; F393-R397 PolarHBondContact O-N 2.93Å; F393-R397 VanDerWaalsContact O-N 3.11Å; K394-R397 WeakPolarHBondContact O-CB 3.48Å; K394-R397 PolarHBondContact O-N 3.29Å; K394-R397 VanDerWaalsContact O-N 3.1Å; L395-R397 VanDerWaalsContact C-N 3.29Å; L395-R397 PolarHBondContact O-N 3.37Å; R397-Y407 HydrophobicContact CG-CE1 4.47Å; R397-Y407 HydrophobicContact CG-CE2 4.34Å; R397-R434 PolarHBondContact O-NH1 3.09Å |
| 398 | D | 95.9 | Very high | 96.7 | Very high | 114 Ų | 114 | 47.7 Ų | 47.7 | 61% | 0.61 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -75.4 | -16.4 | 179.2 | -62.6 | -21.6 | 0 | 0 | 0 | 111.4 | K394 L395 | K394-D398 PolarHBondContact O-N 3.35Å; L395-D398 PolarHBondContact O-N 3.06Å |
| 399 | D | 95.4 | Very high | 96.7 | Very high | 19 Ų | 19 | 47.1 Ų | 47.1 | 10% | 0.102 | 22% | 0.222 | C | C | . | . | trans | -76.2 | 133.7 | 170.3 | -159.5 | -42.5 | 0 | 0 | 0 | 111.6 | Y373 L395 A396 R401 I402 R434 | Y373-D399 HydrophobicContact CE2-CB 3.87Å; Y373-D399 WeakPolarHBondContact CE2-OD2 3.48Å; Y373-D399 PolarHBondContact OH-OD2 3.34Å; Y373-D399 VanDerWaalsContact OH-OD2 3.13Å; L395-D399 PolarHBondContact O-N 3.49Å; A396-D399 WeakPolarHBondContact O-CB 3.42Å; A396-D399 PolarHBondContact O-N 3.47Å; D399-R401 WeakPolarHBondContact OD1-CB 3.29Å; D399-R401 WeakPolarHBondContact OD1-CG 3.48Å; D399-R401 IonicContact OD1-CZ 3.98Å; D399-R401 PolarHBondContact OD1-N 3.1Å; D399-R401 IonicContact OD1-NE 2.72Å; D399-R401 PolarHBondContact OD1-NE 3.09Å; D399-R401 IonicContact OD1-NH2 2.65Å; D399-R401 IonicContact OD2-CZ 2.74Å; D399-R401 IonicContact OD2-NE 3.3Å; D399-R401 PolarHBondContact OD2-NE 3.2Å; D399-R401 IonicContact OD2-NH2 2.9Å; D399-R401 PolarHBondContact OD2-NH2 3.06Å; D399-I402 HydrophobicContact CB-CG2 4.19Å; D399-I402 WeakPolarHBondContact O-CG1 3.31Å; D399-R434 PolarHBondContact O-NH2 3.04Å; D399-R434 VanDerWaalsContact O-NH2 3.16Å | ||
| 400 | S | 94.1 | Very high | 96.7 | Very high | 104 Ų | 104 | 47.2 Ų | 47.2 | 73% | 0.727 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -75.7 | -27.3 | 179.1 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | R434 | S400-R434 PolarHBondContact O-NH2 3.37Š|
| 401 | R | 95.2 | Very high | 96.6 | Very high | 85 Ų | 85 | 43.1 Ų | 43.1 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -82.1 | -15.9 | -169 | -57.3 | 169.5 | -65.9 | 166.5 | 0.3 | 114.2 | V362 L364 P369 D399 | V362-R401 PolarHBondContact O-NH2 3.03Å; L364-R401 PolarHBondContact O-NH1 3.09Å; P369-R401 HydrophobicContact CG-CB 3.8Å; D399-R401 WeakPolarHBondContact OD1-CB 3.29Å; D399-R401 WeakPolarHBondContact OD1-CG 3.48Å; D399-R401 IonicContact OD1-CZ 3.98Å; D399-R401 PolarHBondContact OD1-N 3.1Å; D399-R401 IonicContact OD1-NE 2.72Å; D399-R401 PolarHBondContact OD1-NE 3.09Å; D399-R401 IonicContact OD1-NH2 2.65Å; D399-R401 IonicContact OD2-CZ 2.74Å; D399-R401 IonicContact OD2-NE 3.3Å; D399-R401 PolarHBondContact OD2-NE 3.2Å; D399-R401 IonicContact OD2-NH2 2.9Å; D399-R401 PolarHBondContact OD2-NH2 3.06Å |
| 402 | I | 96 | Very high | 96.5 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | trans | -64 | 144.6 | -176.6 | 55.8 | 144.3 | 0 | 0 | 0 | 113.2 | P369 Y373 A396 D399 V406 Y407 | P369-I402 HydrophobicContact CG-CG2 4.13Å; Y373-I402 HydrophobicContact CD2-CG2 3.55Å; Y373-I402 HydrophobicContact CE2-CG2 3.81Å; A396-I402 WeakPolarHBondContact O-CD1 3.33Å; A396-I402 VanDerWaalsContact O-CG1 3.29Å; A396-I402 WeakPolarHBondContact O-CG1 3.45Å; A396-I402 WeakPolarHBondContact O-CG2 3.41Å; D399-I402 HydrophobicContact CB-CG2 4.19Å; D399-I402 WeakPolarHBondContact O-CG1 3.31Å; I402-V406 HydrophobicContact CB-CG1 4.26Å; I402-V406 HydrophobicContact CD1-CG1 3.57Å; I402-Y407 HydrophobicContact CD1-CD2 4.45Å; I402-Y407 HydrophobicContact CD1-CE2 3.78Å | ||
| 403 | T | 95.8 | Very high | 96.3 | Very high | 43 Ų | 43 | 38 Ų | 38 | 26% | 0.264 | 19% | 0.188 | S | C | . | . | trans | -99.6 | 172.3 | 172.3 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | T370 H405 | T370-T403 VanDerWaalsContact CG2-OG1 3.29Å; T370-T403 WeakPolarHBondContact CG2-OG1 3.1Å; T370-T403 PolarHBondContact OG1-N 3.21Å; T370-T403 PolarHBondContact OG1-OG1 2.95Å; T403-H405 PolarHBondContact O-N 2.92Å; T403-H405 VanDerWaalsContact O-N 3.1Å; T403-H405 PolarHBondContact OG1-ND1 3.22Å | ||
| 404 | Y | 95.8 | Very high | 96.2 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 15% | 0.145 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -25.8 | -171.6 | 71.7 | -92.5 | 0 | 0 | 0 | 115.1 | V406 Y407 C408 I438 E440 Y441 | Y404-V406 PolarHBondContact O-N 3.18Å; Y404-V406 VanDerWaalsContact O-N 3.09Å; Y404-Y407 WeakPolarHBondContact O-CB 3.21Å; Y404-Y407 PolarHBondContact O-N 2.99Å; Y404-C408 PolarHBondContact O-N 3.38Å; Y404-I438 HydrophobicContact CD1-CD1 3.87Å; Y404-I438 HydrophobicContact CD1-CG2 3.83Å; Y404-I438 HydrophobicContact CE1-CG2 3.82Å; Y404-I438 HydrophobicContact CG-CG2 4.49Å; Y404-E440 HydrophobicContact CE1-CB 4.38Å; Y404-E440 HydrophobicContact CE2-CB 4.26Å; Y404-E440 WeakPolarHBondContact OH-CB 3.15Å; Y404-Y441 AromaticContact CD2-CD2 3.83Å; Y404-Y441 HydrophobicContact CD2-CD2 3.83Å; Y404-Y441 HydrophobicContact CD2-CG 4.3Å; Y404-Y441 HydrophobicContact CG-CD2 4.15Å; Y404-Y441 HydrophobicContact CG-CG 4.46Å |
| 405 | H | 97.7 | Very high | 96 | Very high | 70 Ų | 70 | 33.8 Ų | 33.8 | 32% | 0.324 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -57.1 | -29.6 | -174.2 | -49.1 | 94.6 | 0 | 0 | 0 | 113.6 | T370 I374 T403 C408 S409 | T370-H405 HydrophobicContact CG2-CB 3.91Å; I374-H405 HydrophobicContact CD1-CB 3.82Å; T403-H405 PolarHBondContact O-N 2.92Å; T403-H405 VanDerWaalsContact O-N 3.1Å; T403-H405 PolarHBondContact OG1-ND1 3.22Å; H405-C408 WeakPolarHBondContact O-CB 3.5Å; H405-C408 PolarHBondContact O-N 2.97Å; H405-S409 PolarHBondContact O-N 3.28Å |
| 406 | V | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.8 | -32.8 | 178.4 | 72.8 | 0 | 0 | 0 | 0 | 112.5 | T370 I374 F393 A396 I402 Y404 A410 | T370-V406 HydrophobicContact CG2-CB 4.1Å; I374-V406 HydrophobicContact CG1-CB 4.2Å; I374-V406 HydrophobicContact CG1-CG2 4.22Å; F393-V406 HydrophobicContact CD2-CG2 4.32Å; A396-V406 HydrophobicContact CB-CG2 3.97Å; I402-V406 HydrophobicContact CB-CG1 4.26Å; I402-V406 HydrophobicContact CD1-CG1 3.57Å; Y404-V406 PolarHBondContact O-N 3.18Å; Y404-V406 VanDerWaalsContact O-N 3.09Å; V406-A410 VanDerWaalsContact O-CB 3.29Å; V406-A410 WeakPolarHBondContact O-CB 3.36Å; V406-A410 PolarHBondContact O-N 3.46Å |
| 407 | Y | 97.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 36 Ų | 36 | 4% | 0.039 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.2 | -44 | 173.9 | -76.5 | -106.1 | 0 | 0 | 0 | 110.8 | F393 R397 I402 Y404 A410 A411 I427 L430 F435 | F393-Y407 HydrophobicContact CE2-CD1 4.35Å; F393-Y407 HydrophobicContact CE2-CD2 4.43Å; F393-Y407 HydrophobicContact CE2-CG 4.27Å; F393-Y407 AromaticContact CZ-CD1 3.84Å; F393-Y407 HydrophobicContact CZ-CD1 3.84Å; F393-Y407 HydrophobicContact CZ-CE1 4.04Å; F393-Y407 HydrophobicContact CZ-CG 4.19Å; R397-Y407 HydrophobicContact CG-CE1 4.47Å; R397-Y407 HydrophobicContact CG-CE2 4.34Å; I402-Y407 HydrophobicContact CD1-CD2 4.45Å; I402-Y407 HydrophobicContact CD1-CE2 3.78Å; Y404-Y407 WeakPolarHBondContact O-CB 3.21Å; Y404-Y407 PolarHBondContact O-N 2.99Å; Y407-A410 PolarHBondContact O-N 3.47Å; Y407-A411 WeakPolarHBondContact O-CB 3.47Å; Y407-A411 PolarHBondContact O-N 3.44Å; Y407-I427 HydrophobicContact CD1-CG2 4.3Å; Y407-I427 WeakPolarHBondContact O-CG2 3.27Å; Y407-L430 HydrophobicContact CE1-CB 4.49Å; Y407-L430 HydrophobicContact CE1-CD2 4.12Å; Y407-L430 HydrophobicContact CE1-CG 4.05Å; Y407-F435 HydrophobicContact CD2-CD2 4.17Å; Y407-F435 AromaticContact CD2-CE2 3.71Å; Y407-F435 HydrophobicContact CD2-CE2 3.71Å; Y407-F435 HydrophobicContact CE2-CD2 4.33Å; Y407-F435 AromaticContact CE2-CE2 3.63Å; Y407-F435 HydrophobicContact CE2-CE2 3.63Å |
| 408 | C | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.6 | -51.7 | 172.5 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | Y404 H405 A410 A411 L412 F428 Y441 C444 | Y404-C408 PolarHBondContact O-N 3.38Å; H405-C408 WeakPolarHBondContact O-CB 3.5Å; H405-C408 PolarHBondContact O-N 2.97Å; C408-A410 VanDerWaalsContact C-N 3.32Å; C408-A410 PolarHBondContact O-N 2.88Å; C408-A411 PolarHBondContact O-N 3.3Å; C408-L412 WeakPolarHBondContact O-CB 3.38Å; C408-L412 VanDerWaalsContact O-CG 3.3Å; C408-L412 WeakPolarHBondContact O-CG 3.18Å; C408-L412 PolarHBondContact O-N 3.16Å; C408-F428 HydrophobicContact CB-CE1 4.49Å; C408-Y441 VanDerWaalsContact SG-CD2 3.58Å; C408-C444 VanDerWaalsContact CB-SG 3.57Å |
| 409 | S | 96.4 | Very high | 94.8 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.6 | -35.7 | -180 | -169.6 | 0 | 0 | 0 | 0 | 112.7 | H405 M413 | H405-S409 PolarHBondContact O-N 3.28Å; S409-M413 WeakPolarHBondContact O-CB 3.42Å; S409-M413 PolarHBondContact O-N 3.29Å |
| 410 | A | 97.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.3 | -41.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M377 F393 V406 Y407 C408 M413 E414 I427 | M377-A410 HydrophobicContact CE-CB 3.93Å; M377-A410 HydrophobicContact SD-CB 3.75Å; F393-A410 HydrophobicContact CD1-CB 4.14Å; F393-A410 HydrophobicContact CD2-CB 3.55Å; F393-A410 HydrophobicContact CE1-CB 4.17Å; F393-A410 HydrophobicContact CE2-CB 3.6Å; F393-A410 HydrophobicContact CG-CB 3.85Å; F393-A410 HydrophobicContact CZ-CB 3.92Å; V406-A410 VanDerWaalsContact O-CB 3.29Å; V406-A410 WeakPolarHBondContact O-CB 3.36Å; V406-A410 PolarHBondContact O-N 3.46Å; Y407-A410 PolarHBondContact O-N 3.47Å; C408-A410 VanDerWaalsContact C-N 3.32Å; C408-A410 PolarHBondContact O-N 2.88Å; A410-M413 PolarHBondContact O-N 3.4Å; A410-E414 WeakPolarHBondContact O-CG 3.36Å; A410-E414 PolarHBondContact O-N 2.97Å; A410-E414 VanDerWaalsContact O-N 3.12Å; A410-I427 HydrophobicContact CB-CD1 4.31Å; A410-I427 HydrophobicContact CB-CG2 4.18Å |
| 411 | A | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.4 | -44.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y407 C408 M413 E414 Y415 G424 I427 F428 | Y407-A411 WeakPolarHBondContact O-CB 3.47Å; Y407-A411 PolarHBondContact O-N 3.44Å; C408-A411 PolarHBondContact O-N 3.3Å; A411-M413 VanDerWaalsContact C-N 3.34Å; A411-E414 PolarHBondContact O-N 3.37Å; A411-Y415 WeakPolarHBondContact O-CB 3.43Å; A411-Y415 PolarHBondContact O-N 2.87Å; A411-G424 WeakPolarHBondContact CB-O 3.48Å; A411-I427 HydrophobicContact CB-CB 3.93Å; A411-I427 HydrophobicContact CB-CG2 3.82Å; A411-F428 HydrophobicContact CB-CD1 4.46Å; A411-F428 HydrophobicContact CB-CD2 3.36Å; A411-F428 HydrophobicContact CB-CE1 4.38Å; A411-F428 HydrophobicContact CB-CE2 3.22Å; A411-F428 HydrophobicContact CB-CG 4Å; A411-F428 HydrophobicContact CB-CZ 3.79Å |
| 412 | L | 94.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.8 | -36.5 | 175 | -66 | 178.9 | 0 | 0 | 0 | 111.6 | C408 Y415 F416 F448 | C408-L412 WeakPolarHBondContact O-CB 3.38Å; C408-L412 VanDerWaalsContact O-CG 3.3Å; C408-L412 WeakPolarHBondContact O-CG 3.18Å; C408-L412 PolarHBondContact O-N 3.16Å; L412-Y415 PolarHBondContact O-N 3.27Å; L412-F416 HydrophobicContact CB-CD2 4.11Å; L412-F416 HydrophobicContact CB-CE2 4.1Å; L412-F416 HydrophobicContact CD2-CE2 3.99Å; L412-F416 HydrophobicContact CG-CE2 4.5Å; L412-F416 WeakPolarHBondContact O-CB 3.45Å; L412-F416 WeakPolarHBondContact O-CD2 3.35Å; L412-F416 PolarHBondContact O-N 3.47Å; L412-F448 HydrophobicContact CD2-CB 4.27Å; L412-F448 HydrophobicContact CD2-CD2 4.24Å |
| 413 | M | 94.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 174.6 | 176.8 | -176.9 | 70.5 | 0 | 0 | 112.2 | M377 R381 I386 A389 S409 A410 A411 C417 | M377-M413 HydrophobicContact CE-CE 4.47Å; M377-M413 HydrophobicContact CE-SD 4.47Å; M377-M413 HydrophobicContact CG-CE 3.74Å; M377-M413 HydrophobicContact CG-SD 3.73Å; M377-M413 HydrophobicContact SD-CE 3.67Å; M377-M413 HydrophobicContact SD-SD 4.2Å; R381-M413 HydrophobicContact CB-SD 3.69Å; R381-M413 HydrophobicContact CG-CG 4.01Å; R381-M413 HydrophobicContact CG-SD 3.7Å; I386-M413 HydrophobicContact CD1-CE 4.12Å; A389-M413 HydrophobicContact CB-CE 3.65Å; A389-M413 HydrophobicContact CB-SD 3.84Å; S409-M413 WeakPolarHBondContact O-CB 3.42Å; S409-M413 PolarHBondContact O-N 3.29Å; A410-M413 PolarHBondContact O-N 3.4Å; A411-M413 VanDerWaalsContact C-N 3.34Å; M413-C417 WeakPolarHBondContact O-CB 3.04Å; M413-C417 PolarHBondContact O-N 2.99Å |
| 414 | E | 94.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -61.4 | -50.1 | 174.8 | -68.1 | -81 | -175.3 | 0 | 0 | 110.4 | R390 A410 A411 F416 C417 S418 K419 I423 I427 | R390-E414 IonicContact CZ-OE1 2.77Å; R390-E414 VanDerWaalsContact CZ-OE1 3.27Å; R390-E414 IonicContact CZ-OE2 3.1Å; R390-E414 IonicContact NE-OE1 3.93Å; R390-E414 PolarHBondContact NE-OE1 3.37Å; R390-E414 IonicContact NE-OE2 3.1Å; R390-E414 VanDerWaalsContact NH2-CD 3.28Å; R390-E414 IonicContact NH2-OE1 2.75Å; R390-E414 PolarHBondContact NH2-OE1 3.31Å; R390-E414 IonicContact NH2-OE2 3.92Å; R390-E414 PolarHBondContact NH2-OE2 3.28Å; A410-E414 WeakPolarHBondContact O-CG 3.36Å; A410-E414 PolarHBondContact O-N 2.97Å; A410-E414 VanDerWaalsContact O-N 3.12Å; A411-E414 PolarHBondContact O-N 3.37Å; E414-F416 PolarHBondContact O-N 2.92Å; E414-C417 PolarHBondContact O-N 3.42Å; E414-S418 WeakPolarHBondContact CA-OG 3.49Å; E414-S418 CarbonylContact O-C 3.59Å; E414-S418 WeakPolarHBondContact O-CA 3.27Å; E414-S418 PolarHBondContact O-N 3.31Å; E414-S418 PolarHBondContact O-OG 3.17Å; E414-S418 WeakPolarHBondContact OE2-CB 3.47Å; E414-S418 PolarHBondContact OE2-OG 2.95Å; E414-K419 PolarHBondContact O-N 3.29Å; E414-I423 HydrophobicContact CB-CG2 4.24Å; E414-I423 HydrophobicContact CG-CG2 3.74Å; E414-I427 HydrophobicContact CG-CD1 3.88Å |
| 415 | Y | 93.4 | Very high | 94.1 | Very high | 41 Ų | 41 | 37.4 Ų | 37.4 | 16% | 0.161 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -57.8 | -44.9 | 179.6 | 178.9 | -111.3 | 0 | 0 | 0 | 114 | A411 L412 K419 K421 F448 H451 L452 | A411-Y415 WeakPolarHBondContact O-CB 3.43Å; A411-Y415 PolarHBondContact O-N 2.87Å; L412-Y415 PolarHBondContact O-N 3.27Å; Y415-K419 WeakPolarHBondContact O-CA 3.49Å; Y415-K421 HydrophobicContact CD2-CG 4.26Å; Y415-K421 HydrophobicContact CE2-CG 4.15Å; Y415-F448 HydrophobicContact CD1-CD2 4.4Å; Y415-F448 HydrophobicContact CD1-CE2 4.37Å; Y415-F448 HydrophobicContact CD2-CD2 4.49Å; Y415-F448 AromaticContact CD2-CE2 3.73Å; Y415-F448 HydrophobicContact CD2-CE2 3.73Å; Y415-F448 HydrophobicContact CE2-CE2 4.43Å; Y415-F448 HydrophobicContact CG-CD2 4.15Å; Y415-F448 AromaticContact CG-CE2 3.69Å; Y415-F448 HydrophobicContact CG-CE2 3.69Å; Y415-H451 HydrophobicContact CE1-CB 4.16Å; Y415-H451 PolarHBondContact OH-O 3.39Å; Y415-L452 HydrophobicContact CD2-CD2 4.13Å; Y415-L452 HydrophobicContact CE2-CD2 3.45Å; Y415-L452 VanDerWaalsContact CE2-CD2 3.45Å |
| 416 | F | 92.1 | Very high | 94 | Very high | 39 Ų | 39 | 40.5 Ų | 40.5 | 17% | 0.171 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -82.8 | -32.3 | -177.9 | -69.5 | -57.9 | 0 | 0 | 0 | 113.8 | L412 E414 K419 L562 V565 I566 | L412-F416 HydrophobicContact CB-CD2 4.11Å; L412-F416 HydrophobicContact CB-CE2 4.1Å; L412-F416 HydrophobicContact CD2-CE2 3.99Å; L412-F416 HydrophobicContact CG-CE2 4.5Å; L412-F416 WeakPolarHBondContact O-CB 3.45Å; L412-F416 WeakPolarHBondContact O-CD2 3.35Å; L412-F416 PolarHBondContact O-N 3.47Å; E414-F416 PolarHBondContact O-N 2.92Å; F416-K419 VanDerWaalsContact O-CE 3.31Å; F416-K419 WeakPolarHBondContact O-CE 3.49Å; F416-K419 PolarHBondContact O-NZ 2.91Å; F416-L562 HydrophobicContact CE2-CD2 3.57Å; F416-L562 HydrophobicContact CZ-CD2 3.42Å; F416-L562 VanDerWaalsContact CZ-CD2 3.42Å; F416-V565 HydrophobicContact CD2-CG1 4.45Å; F416-I566 HydrophobicContact CB-CD1 4.36Å; F416-I566 HydrophobicContact CD1-CD1 3.99Å; F416-I566 HydrophobicContact CD2-CD1 4.42Å; F416-I566 HydrophobicContact CE1-CD1 4.44Å; F416-I566 HydrophobicContact CG-CD1 4Å; F416-I566 HydrophobicContact CG-CG1 4.47Å |
| 417 | C | 91.7 | Very high | 94 | Very high | 60 Ų | 60 | 41.2 Ų | 41.2 | 41% | 0.405 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -102.7 | -49.4 | -173.5 | -55.4 | 0 | 0 | 0 | 0 | 113.4 | R381 M413 E414 | R381-C417 VanDerWaalsContact CD-SG 3.51Å; M413-C417 WeakPolarHBondContact O-CB 3.04Å; M413-C417 PolarHBondContact O-N 2.99Å; E414-C417 PolarHBondContact O-N 3.42Å |
| 418 | S | 89.7 | Confident | 93.9 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 33% | 0.329 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -84.6 | -12.8 | 176.8 | 70.6 | 0 | 0 | 0 | 0 | 113 | E414 D420 | E414-S418 WeakPolarHBondContact CA-OG 3.49Å; E414-S418 CarbonylContact O-C 3.59Å; E414-S418 WeakPolarHBondContact O-CA 3.27Å; E414-S418 PolarHBondContact O-N 3.31Å; E414-S418 PolarHBondContact O-OG 3.17Å; E414-S418 WeakPolarHBondContact OE2-CB 3.47Å; E414-S418 PolarHBondContact OE2-OG 2.95Å; S418-D420 PolarHBondContact O-N 3.45Å |
| 419 | K | 90.2 | Very high | 93.8 | Very high | 149 Ų | 149 | 43.2 Ų | 43.2 | 65% | 0.648 | 22% | 0.215 | S | C | * | . | trans | 61.7 | 12.1 | -174.7 | -52 | -55 | -170.8 | -170.7 | 0 | 114 | E414 Y415 F416 K421 | E414-K419 PolarHBondContact O-N 3.29Å; Y415-K419 WeakPolarHBondContact O-CA 3.49Å; F416-K419 VanDerWaalsContact O-CE 3.31Å; F416-K419 WeakPolarHBondContact O-CE 3.49Å; F416-K419 PolarHBondContact O-NZ 2.91Å; K419-K421 PolarHBondContact O-N 2.95Å | ||
| 420 | D | 90.1 | Very high | 93.7 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | trans | -85.4 | 95.4 | -179.5 | -166.3 | -30.4 | 0 | 0 | 0 | 111.5 | S418 T422 I423 G424 | S418-D420 PolarHBondContact O-N 3.45Å; D420-T422 PolarHBondContact O-N 3.38Å; D420-T422 VanDerWaalsContact OD1-CA 3.31Å; D420-T422 WeakPolarHBondContact OD1-CA 3.35Å; D420-T422 VanDerWaalsContact OD1-CB 3.3Å; D420-T422 WeakPolarHBondContact OD1-CB 3.39Å; D420-T422 PolarHBondContact OD1-N 2.82Å; D420-T422 PolarHBondContact OD1-OG1 3.49Å; D420-I423 HydrophobicContact CB-CB 4.22Å; D420-I423 HydrophobicContact CB-CD1 4.26Å; D420-I423 HydrophobicContact CB-CG1 4.31Å; D420-I423 PolarHBondContact O-N 3.48Å; D420-I423 PolarHBondContact OD1-N 2.97Å; D420-I423 WeakPolarHBondContact OD2-CD1 3.46Å; D420-I423 VanDerWaalsContact OD2-CG1 3.29Å; D420-I423 WeakPolarHBondContact OD2-CG1 3.45Å; D420-G424 PolarHBondContact O-N 3.34Å; D420-G424 VanDerWaalsContact O-N 3.17Å | ||
| 421 | K | 91.8 | Very high | 93.6 | Very high | 101 Ų | 101 | 45.4 Ų | 45.4 | 44% | 0.439 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -55.6 | -36 | 172.2 | -61.9 | 179.5 | 169.7 | -167.1 | 0 | 112.6 | Y415 K419 H425 L452 | Y415-K421 HydrophobicContact CD2-CG 4.26Å; Y415-K421 HydrophobicContact CE2-CG 4.15Å; K419-K421 PolarHBondContact O-N 2.95Å; K421-H425 WeakPolarHBondContact O-CB 3.39Å; K421-H425 PolarHBondContact O-N 3.34Å; K421-L452 HydrophobicContact CB-CD2 4.3Å; K421-L452 HydrophobicContact CD-CD2 3.81Å; K421-L452 HydrophobicContact CG-CD2 3.77Å |
| 422 | T | 94 | Very high | 93.4 | Very high | 77 Ų | 77 | 46.5 Ų | 46.5 | 47% | 0.472 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -73.5 | -37.4 | -173.6 | 82.7 | 0 | 0 | 0 | 0 | 111.6 | D420 K426 | D420-T422 PolarHBondContact O-N 3.38Å; D420-T422 VanDerWaalsContact OD1-CA 3.31Å; D420-T422 WeakPolarHBondContact OD1-CA 3.35Å; D420-T422 VanDerWaalsContact OD1-CB 3.3Å; D420-T422 WeakPolarHBondContact OD1-CB 3.39Å; D420-T422 PolarHBondContact OD1-N 2.82Å; D420-T422 PolarHBondContact OD1-OG1 3.49Å; T422-K426 WeakPolarHBondContact O-CB 3.3Å; T422-K426 WeakPolarHBondContact O-CD 3.42Å; T422-K426 WeakPolarHBondContact O-CG 3.32Å; T422-K426 PolarHBondContact O-N 3.42Å |
| 423 | I | 93.9 | Very high | 93.4 | Very high | 39 Ų | 39 | 54.4 Ų | 54.4 | 20% | 0.2 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.3 | -42.7 | 176.1 | -65.1 | 176.5 | 0 | 0 | 0 | 110.1 | R390 E414 D420 H425 K426 I427 | R390-I423 VanDerWaalsContact NH2-CD1 3.27Å; E414-I423 HydrophobicContact CB-CG2 4.24Å; E414-I423 HydrophobicContact CG-CG2 3.74Å; D420-I423 HydrophobicContact CB-CB 4.22Å; D420-I423 HydrophobicContact CB-CD1 4.26Å; D420-I423 HydrophobicContact CB-CG1 4.31Å; D420-I423 PolarHBondContact O-N 3.48Å; D420-I423 PolarHBondContact OD1-N 2.97Å; D420-I423 WeakPolarHBondContact OD2-CD1 3.46Å; D420-I423 VanDerWaalsContact OD2-CG1 3.29Å; D420-I423 WeakPolarHBondContact OD2-CG1 3.45Å; I423-H425 PolarHBondContact O-N 2.99Å; I423-K426 PolarHBondContact O-N 2.88Å; I423-I427 HydrophobicContact CG2-CD1 3.94Å; I423-I427 HydrophobicContact CG2-CG1 4.4Å; I423-I427 WeakPolarHBondContact O-CG1 3.11Å; I423-I427 PolarHBondContact O-N 3.28Å |
| 424 | G | 92.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -53.8 | -50.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A411 D420 K426 I427 F428 | A411-G424 WeakPolarHBondContact CB-O 3.48Å; D420-G424 PolarHBondContact O-N 3.34Å; D420-G424 VanDerWaalsContact O-N 3.17Å; G424-K426 PolarHBondContact O-N 3.1Å; G424-I427 PolarHBondContact O-N 2.73Å; G424-F428 WeakPolarHBondContact O-CD2 3.3Å; G424-F428 PolarHBondContact O-N 2.94Å |
| 425 | H | 93.6 | Very high | 93.2 | Very high | 69 Ų | 69 | 59.6 Ų | 59.6 | 32% | 0.319 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 175.5 | -176.8 | 82.4 | 0 | 0 | 0 | 112.8 | K421 I423 I427 F428 E429 Y445 F448 | K421-H425 WeakPolarHBondContact O-CB 3.39Å; K421-H425 PolarHBondContact O-N 3.34Å; I423-H425 PolarHBondContact O-N 2.99Å; H425-I427 VanDerWaalsContact C-N 3.32Å; H425-I427 PolarHBondContact O-N 2.75Å; H425-F428 PolarHBondContact O-N 3.11Å; H425-E429 PolarHBondContact O-N 3.1Å; H425-Y445 PolarHBondContact CE1-OH 3.19Å; H425-Y445 PolarHBondContact ND1-OH 2.92Å; H425-F448 HydrophobicContact CB-CE1 4.21Å |
| 426 | K | 96.1 | Very high | 93 | Very high | 135 Ų | 135 | 57.7 Ų | 57.7 | 59% | 0.587 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.2 | -36.8 | 176 | -75.8 | 163.9 | -174.8 | 164.2 | 0 | 113 | T422 I423 G424 L430 | T422-K426 WeakPolarHBondContact O-CB 3.3Å; T422-K426 WeakPolarHBondContact O-CD 3.42Å; T422-K426 WeakPolarHBondContact O-CG 3.32Å; T422-K426 PolarHBondContact O-N 3.42Å; I423-K426 PolarHBondContact O-N 2.88Å; G424-K426 PolarHBondContact O-N 3.1Å; K426-L430 WeakPolarHBondContact O-CB 3.39Å; K426-L430 PolarHBondContact O-N 3.34Å |
| 427 | I | 96.6 | Very high | 92.8 | Very high | 16 Ų | 16 | 57 Ų | 57 | 8% | 0.082 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 175.8 | -67.4 | 168.1 | 0 | 0 | 0 | 110.2 | F393 Y407 A410 A411 E414 I423 G424 H425 L430 G431 | F393-I427 HydrophobicContact CE1-CD1 4.38Å; F393-I427 HydrophobicContact CE1-CG1 4.19Å; F393-I427 HydrophobicContact CE1-CG2 4.07Å; F393-I427 HydrophobicContact CZ-CG2 3.8Å; Y407-I427 HydrophobicContact CD1-CG2 4.3Å; Y407-I427 WeakPolarHBondContact O-CG2 3.27Å; A410-I427 HydrophobicContact CB-CD1 4.31Å; A410-I427 HydrophobicContact CB-CG2 4.18Å; A411-I427 HydrophobicContact CB-CB 3.93Å; A411-I427 HydrophobicContact CB-CG2 3.82Å; E414-I427 HydrophobicContact CG-CD1 3.88Å; I423-I427 HydrophobicContact CG2-CD1 3.94Å; I423-I427 HydrophobicContact CG2-CG1 4.4Å; I423-I427 WeakPolarHBondContact O-CG1 3.11Å; I423-I427 PolarHBondContact O-N 3.28Å; G424-I427 PolarHBondContact O-N 2.73Å; H425-I427 VanDerWaalsContact C-N 3.32Å; H425-I427 PolarHBondContact O-N 2.75Å; I427-L430 WeakPolarHBondContact O-CB 3.25Å; I427-L430 PolarHBondContact O-N 3.37Å; I427-G431 PolarHBondContact O-N 3.24Å |
| 428 | F | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 175.7 | -83.5 | -65.5 | 0 | 0 | 0 | 113 | C408 A411 G424 H425 L430 G431 M432 Y441 Y445 F448 | C408-F428 HydrophobicContact CB-CE1 4.49Å; A411-F428 HydrophobicContact CB-CD1 4.46Å; A411-F428 HydrophobicContact CB-CD2 3.36Å; A411-F428 HydrophobicContact CB-CE1 4.38Å; A411-F428 HydrophobicContact CB-CE2 3.22Å; A411-F428 HydrophobicContact CB-CG 4Å; A411-F428 HydrophobicContact CB-CZ 3.79Å; G424-F428 WeakPolarHBondContact O-CD2 3.3Å; G424-F428 PolarHBondContact O-N 2.94Å; H425-F428 PolarHBondContact O-N 3.11Å; F428-L430 VanDerWaalsContact C-N 3.3Å; F428-L430 PolarHBondContact O-N 3.35Å; F428-G431 PolarHBondContact O-N 2.76Å; F428-M432 WeakPolarHBondContact O-CB 3.35Å; F428-M432 PolarHBondContact O-N 2.81Å; F428-Y441 VanDerWaalsContact CA-OH 3.25Å; F428-Y441 WeakPolarHBondContact CA-OH 3.47Å; F428-Y441 HydrophobicContact CD1-CE2 4.16Å; F428-Y441 AromaticContact CD1-CZ 3.98Å; F428-Y441 HydrophobicContact CE1-CE2 4.46Å; F428-Y441 PolarHBondContact O-OH 3.41Å; F428-Y445 HydrophobicContact CB-CD1 3.93Å; F428-Y445 HydrophobicContact CB-CD2 3.37Å; F428-Y445 HydrophobicContact CB-CE1 3.86Å; F428-Y445 HydrophobicContact CB-CE2 3.33Å; F428-Y445 HydrophobicContact CB-CG 3.71Å; F428-Y445 HydrophobicContact CD1-CD1 4.41Å; F428-Y445 AromaticContact CD1-CD2 3.74Å; F428-Y445 HydrophobicContact CD1-CD2 3.74Å; F428-Y445 AromaticContact CD1-CG 3.67Å; F428-Y445 HydrophobicContact CD1-CG 3.67Å; F428-Y445 AromaticContact CD2-CD2 3.67Å; F428-Y445 HydrophobicContact CD2-CD2 3.67Å; F428-Y445 HydrophobicContact CD2-CE2 4.04Å; F428-Y445 HydrophobicContact CD2-CG 4.45Å; F428-Y445 HydrophobicContact CE1-CD2 4.4Å; F428-Y445 HydrophobicContact CE1-CG 4.38Å; F428-Y445 HydrophobicContact CE2-CD2 4.35Å; F428-Y445 HydrophobicContact CG-CD1 4.4Å; F428-Y445 AromaticContact CG-CD2 3.32Å; F428-Y445 HydrophobicContact CG-CD2 3.32Å; F428-Y445 AromaticContact CG-CE2 3.78Å; F428-Y445 HydrophobicContact CG-CE2 3.78Å; F428-Y445 AromaticContact CG-CG 3.72Å; F428-Y445 HydrophobicContact CG-CG 3.72Å; F428-F448 HydrophobicContact CD2-CB 4.17Å; F428-F448 AromaticContact CD2-CD1 3.48Å; F428-F448 HydrophobicContact CD2-CD1 3.48Å; F428-F448 VanDerWaalsContact CD2-CD1 3.48Å; F428-F448 HydrophobicContact CD2-CD2 4.43Å; F428-F448 AromaticContact CD2-CE1 3.91Å; F428-F448 HydrophobicContact CD2-CE1 3.91Å; F428-F448 AromaticContact CD2-CG 3.76Å; F428-F448 HydrophobicContact CD2-CG 3.76Å; F428-F448 HydrophobicContact CE2-CB 3.4Å; F428-F448 AromaticContact CE2-CD1 3.56Å; F428-F448 HydrophobicContact CE2-CD1 3.56Å; F428-F448 AromaticContact CE2-CD2 3.85Å; F428-F448 HydrophobicContact CE2-CD2 3.85Å; F428-F448 HydrophobicContact CE2-CE1 4.28Å; F428-F448 AromaticContact CE2-CG 3.3Å; F428-F448 HydrophobicContact CE2-CG 3.3Å; F428-F448 HydrophobicContact CZ-CB 3.81Å; F428-F448 HydrophobicContact CZ-CG 4.22Å |
| 429 | E | 95 | Very high | 92.8 | Very high | 51 Ų | 51 | 54 Ų | 54 | 24% | 0.238 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.2 | -35.3 | 173 | -74.2 | -58.5 | 124.5 | 0 | 0 | 112.6 | H425 Y445 R464 | H425-E429 PolarHBondContact O-N 3.1Å; E429-Y445 VanDerWaalsContact OE1-CE1 3.25Å; E429-Y445 WeakPolarHBondContact OE1-CE1 3.39Å; E429-Y445 PolarHBondContact OE1-OH 2.68Å; E429-R464 IonicContact OE1-CZ 2.71Å; E429-R464 IonicContact OE1-NH1 2.7Å; E429-R464 PolarHBondContact OE1-NH1 3.11Å; E429-R464 IonicContact OE1-NH2 3.15Å; E429-R464 PolarHBondContact OE1-NH2 3.35Å; E429-R464 IonicContact OE2-CZ 3.12Å; E429-R464 IonicContact OE2-NH1 3.5Å; E429-R464 PolarHBondContact OE2-NH1 3.19Å; E429-R464 IonicContact OE2-NH2 3.02Å |
| 430 | L | 95.5 | Very high | 92.9 | Very high | 58 Ų | 58 | 49.4 Ų | 49.4 | 30% | 0.304 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.9 | -45.6 | 174.8 | -177.5 | 67.2 | 0 | 0 | 0 | 111.6 | Y407 K426 I427 F428 M432 K433 | Y407-L430 HydrophobicContact CE1-CB 4.49Å; Y407-L430 HydrophobicContact CE1-CD2 4.12Å; Y407-L430 HydrophobicContact CE1-CG 4.05Å; K426-L430 WeakPolarHBondContact O-CB 3.39Å; K426-L430 PolarHBondContact O-N 3.34Å; I427-L430 WeakPolarHBondContact O-CB 3.25Å; I427-L430 PolarHBondContact O-N 3.37Å; F428-L430 VanDerWaalsContact C-N 3.3Å; F428-L430 PolarHBondContact O-N 3.35Å; L430-M432 VanDerWaalsContact C-N 3.32Å; L430-M432 PolarHBondContact O-N 3.13Å; L430-K433 WeakPolarHBondContact O-CB 3.46Å; L430-K433 PolarHBondContact O-N 2.94Å |
| 431 | G | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.9 | -30.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I427 F428 K433 R434 F435 Y441 | I427-G431 PolarHBondContact O-N 3.24Å; F428-G431 PolarHBondContact O-N 2.76Å; G431-K433 PolarHBondContact O-N 2.93Å; G431-K433 VanDerWaalsContact O-N 3.16Å; G431-R434 PolarHBondContact O-N 3.49Å; G431-F435 PolarHBondContact O-N 2.98Å; G431-Y441 WeakPolarHBondContact CA-OH 3.5Å |
| 432 | M | 92 | Very high | 93.1 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 11% | 0.113 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.9 | -28.7 | 175.4 | -164 | 70.8 | 174 | 0 | 0 | 112.2 | F428 L430 G436 Y441 V442 L461 A465 | F428-M432 WeakPolarHBondContact O-CB 3.35Å; F428-M432 PolarHBondContact O-N 2.81Å; L430-M432 VanDerWaalsContact C-N 3.32Å; L430-M432 PolarHBondContact O-N 3.13Å; M432-G436 VanDerWaalsContact O-CA 3.28Å; M432-G436 WeakPolarHBondContact O-CA 3.32Å; M432-G436 PolarHBondContact O-N 3.13Å; M432-Y441 HydrophobicContact CB-CE1 4.19Å; M432-Y441 PolarHBondContact N-OH 3.17Å; M432-Y441 HydrophobicContact SD-CD1 4.29Å; M432-Y441 HydrophobicContact SD-CE1 4.07Å; M432-V442 HydrophobicContact CE-CG2 3.98Å; M432-V442 HydrophobicContact SD-CG2 4.16Å; M432-L461 HydrophobicContact CE-CD1 4.21Å; M432-A465 HydrophobicContact CE-CB 4.46Å |
| 433 | K | 92.9 | Very high | 93 | Very high | 175 Ų | 175 | 38.7 Ų | 38.7 | 76% | 0.761 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -71.3 | -26.5 | 175.2 | -61.2 | 178.1 | -177.1 | -177.4 | 0 | 114 | L430 G431 | L430-K433 WeakPolarHBondContact O-CB 3.46Å; L430-K433 PolarHBondContact O-N 2.94Å; G431-K433 PolarHBondContact O-N 2.93Å; G431-K433 VanDerWaalsContact O-N 3.16Å |
| 434 | R | 92.4 | Very high | 92.9 | Very high | 101 Ų | 101 | 37.5 Ų | 37.5 | 38% | 0.381 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -101.8 | -31.7 | -179.5 | -174.7 | 173.4 | 174.5 | 172.5 | -7 | 112.5 | R397 D399 S400 G431 | R397-R434 PolarHBondContact O-NH1 3.09Å; D399-R434 PolarHBondContact O-NH2 3.04Å; D399-R434 VanDerWaalsContact O-NH2 3.16Å; S400-R434 PolarHBondContact O-NH2 3.37Å; G431-R434 PolarHBondContact O-N 3.49Å |
| 435 | F | 93.6 | Very high | 93 | Very high | 21 Ų | 21 | 37.6 Ų | 37.6 | 9% | 0.092 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -127.5 | 13.2 | -169.2 | -58.9 | -61.3 | 0 | 0 | 0 | 114.2 | Y407 G431 G437 I438 Y441 | Y407-F435 HydrophobicContact CD2-CD2 4.17Å; Y407-F435 AromaticContact CD2-CE2 3.71Å; Y407-F435 HydrophobicContact CD2-CE2 3.71Å; Y407-F435 HydrophobicContact CE2-CD2 4.33Å; Y407-F435 AromaticContact CE2-CE2 3.63Å; Y407-F435 HydrophobicContact CE2-CE2 3.63Å; G431-F435 PolarHBondContact O-N 2.98Å; F435-G437 PolarHBondContact O-N 3.5Å; F435-G437 VanDerWaalsContact O-N 3.09Å; F435-I438 HydrophobicContact CB-CD1 4.19Å; F435-I438 HydrophobicContact CD1-CD1 3.72Å; F435-I438 HydrophobicContact CG-CD1 4.35Å; F435-I438 WeakPolarHBondContact O-CB 3.33Å; F435-I438 PolarHBondContact O-N 3.41Å; F435-Y441 HydrophobicContact CB-CD1 4.19Å; F435-Y441 HydrophobicContact CB-CD2 4.49Å; F435-Y441 HydrophobicContact CB-CG 4.08Å |
| 436 | G | 89 | Confident | 92.9 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | M432 I438 I471 | M432-G436 VanDerWaalsContact O-CA 3.28Å; M432-G436 WeakPolarHBondContact O-CA 3.32Å; M432-G436 PolarHBondContact O-N 3.13Å; G436-I438 VanDerWaalsContact C-N 3.34Å; G436-I471 WeakPolarHBondContact O-CG1 3.43Å |
| 437 | G | 88.3 | Confident | 92.6 | Very high | 24 Ų | 24 | 29.6 Ų | 29.6 | 25% | 0.247 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -9.9 | 171 | 0 | 0 | 0 | 0 | 0 | 115.3 | F435 Q470 | F435-G437 PolarHBondContact O-N 3.5Å; F435-G437 VanDerWaalsContact O-N 3.09Å; G437-Q470 VanDerWaalsContact CA-O 3.26Å; G437-Q470 WeakPolarHBondContact CA-O 3.42Å |
| 438 | I | 90.6 | Very high | 92.4 | Very high | 44 Ų | 44 | 28.9 Ų | 28.9 | 23% | 0.226 | 14% | 0.14 | C | C | . | . | trans | -95.3 | 109.9 | -178.2 | -55.2 | -177.3 | 0 | 0 | 0 | 108.6 | Y404 F435 G436 E440 Y441 V442 | Y404-I438 HydrophobicContact CD1-CD1 3.87Å; Y404-I438 HydrophobicContact CD1-CG2 3.83Å; Y404-I438 HydrophobicContact CE1-CG2 3.82Å; Y404-I438 HydrophobicContact CG-CG2 4.49Å; F435-I438 HydrophobicContact CB-CD1 4.19Å; F435-I438 HydrophobicContact CD1-CD1 3.72Å; F435-I438 HydrophobicContact CG-CD1 4.35Å; F435-I438 WeakPolarHBondContact O-CB 3.33Å; F435-I438 PolarHBondContact O-N 3.41Å; G436-I438 VanDerWaalsContact C-N 3.34Å; I438-E440 HydrophobicContact CG2-CB 4.16Å; I438-E440 WeakPolarHBondContact CG2-OE2 3.49Å; I438-E440 PolarHBondContact O-N 3.22Å; I438-Y441 WeakPolarHBondContact O-CB 3.39Å; I438-Y441 PolarHBondContact O-N 2.81Å; I438-Y441 VanDerWaalsContact O-N 3.12Å; I438-V442 PolarHBondContact O-N 3.05Å | ||
| 439 | A | 90.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59 | -37.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y441 V442 L443 I471 R475 L478 I479 | A439-Y441 VanDerWaalsContact C-N 3.3Å; A439-Y441 PolarHBondContact O-N 3.37Å; A439-V442 WeakPolarHBondContact O-CB 3.47Å; A439-V442 PolarHBondContact O-N 2.94Å; A439-V442 VanDerWaalsContact O-N 3.14Å; A439-L443 WeakPolarHBondContact O-CG 3.44Å; A439-L443 PolarHBondContact O-N 2.75Å; A439-I471 HydrophobicContact CB-CG2 4.4Å; A439-R475 HydrophobicContact CB-CB 3.87Å; A439-L478 HydrophobicContact CB-CD1 4.5Å; A439-I479 HydrophobicContact CB-CD1 3.9Å; A439-I479 HydrophobicContact CB-CG1 3.94Å |
| 440 | E | 91.4 | Very high | 91.8 | Very high | 52 Ų | 52 | 28.6 Ų | 28.6 | 24% | 0.243 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -34.3 | 179.2 | -55.6 | 92.1 | 143.3 | 0 | 0 | 112.4 | Y404 I438 C444 R475 | Y404-E440 HydrophobicContact CE1-CB 4.38Å; Y404-E440 HydrophobicContact CE2-CB 4.26Å; Y404-E440 WeakPolarHBondContact OH-CB 3.15Å; I438-E440 HydrophobicContact CG2-CB 4.16Å; I438-E440 WeakPolarHBondContact CG2-OE2 3.49Å; I438-E440 PolarHBondContact O-N 3.22Å; E440-C444 PolarHBondContact O-N 3.33Å; E440-R475 IonicContact OE1-CZ 3.98Å; E440-R475 IonicContact OE1-NH1 3.81Å; E440-R475 PolarHBondContact OE1-NH1 3.05Å; E440-R475 VanDerWaalsContact OE1-NH1 3.1Å; E440-R475 IonicContact OE2-NH1 2.77Å; E440-R475 PolarHBondContact OE2-NH1 3.44Å; E440-R475 VanDerWaalsContact OE2-NH1 3.1Å |
| 441 | Y | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.6 | -45.2 | 171.8 | 177.3 | -102.3 | 0 | 0 | 0 | 111.6 | Y404 C408 F428 G431 M432 F435 I438 A439 L443 C444 Y445 | Y404-Y441 AromaticContact CD2-CD2 3.83Å; Y404-Y441 HydrophobicContact CD2-CD2 3.83Å; Y404-Y441 HydrophobicContact CD2-CG 4.3Å; Y404-Y441 HydrophobicContact CG-CD2 4.15Å; Y404-Y441 HydrophobicContact CG-CG 4.46Å; C408-Y441 VanDerWaalsContact SG-CD2 3.58Å; F428-Y441 VanDerWaalsContact CA-OH 3.25Å; F428-Y441 WeakPolarHBondContact CA-OH 3.47Å; F428-Y441 HydrophobicContact CD1-CE2 4.16Å; F428-Y441 AromaticContact CD1-CZ 3.98Å; F428-Y441 HydrophobicContact CE1-CE2 4.46Å; F428-Y441 PolarHBondContact O-OH 3.41Å; G431-Y441 WeakPolarHBondContact CA-OH 3.5Å; M432-Y441 HydrophobicContact CB-CE1 4.19Å; M432-Y441 PolarHBondContact N-OH 3.17Å; M432-Y441 HydrophobicContact SD-CD1 4.29Å; M432-Y441 HydrophobicContact SD-CE1 4.07Å; F435-Y441 HydrophobicContact CB-CD1 4.19Å; F435-Y441 HydrophobicContact CB-CD2 4.49Å; F435-Y441 HydrophobicContact CB-CG 4.08Å; I438-Y441 WeakPolarHBondContact O-CB 3.39Å; I438-Y441 PolarHBondContact O-N 2.81Å; I438-Y441 VanDerWaalsContact O-N 3.12Å; A439-Y441 VanDerWaalsContact C-N 3.3Å; A439-Y441 PolarHBondContact O-N 3.37Å; Y441-L443 VanDerWaalsContact C-N 3.32Å; Y441-L443 PolarHBondContact O-N 3.17Å; Y441-C444 PolarHBondContact O-N 2.92Å; Y441-Y445 PolarHBondContact O-N 3.41Å |
| 442 | V | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 177.1 | 178 | 0 | 0 | 0 | 0 | 110.9 | M432 I438 A439 Y445 V446 A465 I471 I479 | M432-V442 HydrophobicContact CE-CG2 3.98Å; M432-V442 HydrophobicContact SD-CG2 4.16Å; I438-V442 PolarHBondContact O-N 3.05Å; A439-V442 WeakPolarHBondContact O-CB 3.47Å; A439-V442 PolarHBondContact O-N 2.94Å; A439-V442 VanDerWaalsContact O-N 3.14Å; V442-Y445 PolarHBondContact O-N 3.15Å; V442-V446 HydrophobicContact CG1-CG2 4.44Å; V442-V446 WeakPolarHBondContact O-CG2 3.4Å; V442-V446 PolarHBondContact O-N 2.89Å; V442-A465 HydrophobicContact CG1-CB 3.6Å; V442-A465 HydrophobicContact CG2-CB 4.28Å; V442-I471 HydrophobicContact CG2-CD1 4.17Å; V442-I479 HydrophobicContact CB-CD1 4.32Å; V442-I479 HydrophobicContact CG1-CD1 4.25Å |
| 443 | L | 92 | Very high | 90.5 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 177.7 | -68.8 | -169.4 | 0 | 0 | 0 | 112.2 | A439 Y441 Y445 V446 D447 L478 I479 R482 Y558 | A439-L443 WeakPolarHBondContact O-CG 3.44Å; A439-L443 PolarHBondContact O-N 2.75Å; Y441-L443 VanDerWaalsContact C-N 3.32Å; Y441-L443 PolarHBondContact O-N 3.17Å; L443-Y445 PolarHBondContact O-N 3.24Å; L443-V446 WeakPolarHBondContact O-CB 3.48Å; L443-V446 PolarHBondContact O-N 3.39Å; L443-V446 VanDerWaalsContact O-N 3.15Å; L443-D447 VanDerWaalsContact O-CG 3.27Å; L443-D447 PolarHBondContact O-N 2.9Å; L443-L478 HydrophobicContact CD1-CB 4.21Å; L443-I479 HydrophobicContact CD2-CG1 4.34Å; L443-R482 HydrophobicContact CD1-CG 4.06Å; L443-R482 HydrophobicContact CD2-CB 3.71Å; L443-R482 HydrophobicContact CD2-CG 3.68Å; L443-R482 HydrophobicContact CG-CG 4.49Å; L443-Y558 HydrophobicContact CB-CE2 4.35Å; L443-Y558 HydrophobicContact CD1-CE2 4.41Å |
| 444 | C | 92.9 | Very high | 90.1 | Very high | 14 Ų | 14 | 25.6 Ų | 25.6 | 10% | 0.095 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.8 | -34.2 | 175.3 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | C408 E440 Y441 F448 | C408-C444 VanDerWaalsContact CB-SG 3.57Å; E440-C444 PolarHBondContact O-N 3.33Å; Y441-C444 PolarHBondContact O-N 2.92Å; C444-F448 PolarHBondContact O-N 3.46Å; C444-F448 VanDerWaalsContact O-N 3.09Å |
| 445 | Y | 94.1 | Very high | 90 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71 | -40.2 | 173.9 | -172.5 | -166.4 | 0 | 0 | 0 | 112.3 | H425 F428 E429 Y441 V442 L443 D447 F448 M449 L461 | H425-Y445 PolarHBondContact CE1-OH 3.19Å; H425-Y445 PolarHBondContact ND1-OH 2.92Å; F428-Y445 HydrophobicContact CB-CD1 3.93Å; F428-Y445 HydrophobicContact CB-CD2 3.37Å; F428-Y445 HydrophobicContact CB-CE1 3.86Å; F428-Y445 HydrophobicContact CB-CE2 3.33Å; F428-Y445 HydrophobicContact CB-CG 3.71Å; F428-Y445 HydrophobicContact CD1-CD1 4.41Å; F428-Y445 AromaticContact CD1-CD2 3.74Å; F428-Y445 HydrophobicContact CD1-CD2 3.74Å; F428-Y445 AromaticContact CD1-CG 3.67Å; F428-Y445 HydrophobicContact CD1-CG 3.67Å; F428-Y445 AromaticContact CD2-CD2 3.67Å; F428-Y445 HydrophobicContact CD2-CD2 3.67Å; F428-Y445 HydrophobicContact CD2-CE2 4.04Å; F428-Y445 HydrophobicContact CD2-CG 4.45Å; F428-Y445 HydrophobicContact CE1-CD2 4.4Å; F428-Y445 HydrophobicContact CE1-CG 4.38Å; F428-Y445 HydrophobicContact CE2-CD2 4.35Å; F428-Y445 HydrophobicContact CG-CD1 4.4Å; F428-Y445 AromaticContact CG-CD2 3.32Å; F428-Y445 HydrophobicContact CG-CD2 3.32Å; F428-Y445 AromaticContact CG-CE2 3.78Å; F428-Y445 HydrophobicContact CG-CE2 3.78Å; F428-Y445 AromaticContact CG-CG 3.72Å; F428-Y445 HydrophobicContact CG-CG 3.72Å; E429-Y445 VanDerWaalsContact OE1-CE1 3.25Å; E429-Y445 WeakPolarHBondContact OE1-CE1 3.39Å; E429-Y445 PolarHBondContact OE1-OH 2.68Å; Y441-Y445 PolarHBondContact O-N 3.41Å; V442-Y445 PolarHBondContact O-N 3.15Å; L443-Y445 PolarHBondContact O-N 3.24Å; Y445-D447 VanDerWaalsContact C-N 3.34Å; Y445-D447 PolarHBondContact O-N 3.39Å; Y445-F448 AromaticContact CD2-CD1 3.9Å; Y445-F448 HydrophobicContact CD2-CD1 3.9Å; Y445-F448 AromaticContact CE2-CD1 3.95Å; Y445-F448 HydrophobicContact CE2-CD1 3.95Å; Y445-F448 HydrophobicContact CE2-CE1 4.31Å; Y445-F448 PolarHBondContact O-N 2.96Å; Y445-M449 HydrophobicContact CD2-CG 3.91Å; Y445-M449 HydrophobicContact CD2-SD 3.97Å; Y445-M449 HydrophobicContact CE2-CG 3.67Å; Y445-M449 HydrophobicContact CE2-SD 3.48Å; Y445-M449 WeakPolarHBondContact CE2-SD 3.33Å; Y445-M449 WeakPolarHBondContact O-CG 3.16Å; Y445-M449 PolarHBondContact O-N 2.93Å; Y445-L461 HydrophobicContact CD1-CD1 3.64Å; Y445-L461 HydrophobicContact CD1-CD2 3.59Å; Y445-L461 HydrophobicContact CD1-CG 4.31Å; Y445-L461 HydrophobicContact CD2-CD2 4.16Å; Y445-L461 HydrophobicContact CE1-CD1 3.72Å; Y445-L461 HydrophobicContact CE1-CD2 4.06Å; Y445-L461 HydrophobicContact CG-CD2 3.64Å |
| 446 | V | 92.4 | Very high | 89.9 | Confident | 7 Ų | 7 | 26.8 Ų | 26.8 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.4 | -46.2 | 171.3 | 164.4 | 0 | 0 | 0 | 0 | 110.9 | V442 L443 F448 M449 A450 I458 L461 F462 | V442-V446 HydrophobicContact CG1-CG2 4.44Å; V442-V446 WeakPolarHBondContact O-CG2 3.4Å; V442-V446 PolarHBondContact O-N 2.89Å; L443-V446 WeakPolarHBondContact O-CB 3.48Å; L443-V446 PolarHBondContact O-N 3.39Å; L443-V446 VanDerWaalsContact O-N 3.15Å; V446-F448 PolarHBondContact O-N 3.34Å; V446-M449 PolarHBondContact O-N 3.02Å; V446-M449 VanDerWaalsContact O-N 3.16Å; V446-A450 WeakPolarHBondContact O-CB 3.3Å; V446-A450 PolarHBondContact O-N 3.2Å; V446-I458 HydrophobicContact CG1-CG2 4.29Å; V446-L461 HydrophobicContact CB-CD2 4.39Å; V446-L461 HydrophobicContact CG2-CD2 3.59Å; V446-L461 HydrophobicContact CG2-CG 4.12Å; V446-F462 HydrophobicContact CB-CZ 4.38Å; V446-F462 HydrophobicContact CG1-CE1 4.12Å; V446-F462 HydrophobicContact CG1-CE2 3.95Å; V446-F462 HydrophobicContact CG1-CZ 3.5Å; V446-F462 VanDerWaalsContact CG1-CZ 3.5Å; V446-F462 HydrophobicContact CG2-CD1 4.16Å; V446-F462 HydrophobicContact CG2-CE1 3.82Å; V446-F462 HydrophobicContact CG2-CE2 4.39Å; V446-F462 HydrophobicContact CG2-CZ 3.96Å |
| 447 | D | 89.6 | Confident | 90 | Very high | 29 Ų | 29 | 29.9 Ų | 29.9 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 179.3 | -63.6 | -35.9 | 0 | 0 | 0 | 111.5 | L443 Y445 M449 A450 H451 R482 Y558 | L443-D447 VanDerWaalsContact O-CG 3.27Å; L443-D447 PolarHBondContact O-N 2.9Å; Y445-D447 VanDerWaalsContact C-N 3.34Å; Y445-D447 PolarHBondContact O-N 3.39Å; D447-M449 PolarHBondContact O-N 2.91Å; D447-A450 WeakPolarHBondContact O-CB 3.29Å; D447-A450 PolarHBondContact O-N 3.47Å; D447-H451 PolarHBondContact O-CD2 2.88Å; D447-H451 PolarHBondContact O-N 3.27Å; D447-R482 IonicContact OD1-CZ 2.68Å; D447-R482 IonicContact OD1-NH1 3.9Å; D447-R482 PolarHBondContact OD1-NH1 3.31Å; D447-R482 IonicContact OD2-NH1 3.4Å; D447-Y558 WeakPolarHBondContact OD2-CD2 3.43Å |
| 448 | F | 91.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.6 | -45.9 | 171.1 | 163.9 | -102.8 | 0 | 0 | 0 | 112.3 | L412 Y415 H425 F428 C444 Y445 V446 A450 H451 L452 | L412-F448 HydrophobicContact CD2-CB 4.27Å; L412-F448 HydrophobicContact CD2-CD2 4.24Å; Y415-F448 HydrophobicContact CD1-CD2 4.4Å; Y415-F448 HydrophobicContact CD1-CE2 4.37Å; Y415-F448 HydrophobicContact CD2-CD2 4.49Å; Y415-F448 AromaticContact CD2-CE2 3.73Å; Y415-F448 HydrophobicContact CD2-CE2 3.73Å; Y415-F448 HydrophobicContact CE2-CE2 4.43Å; Y415-F448 HydrophobicContact CG-CD2 4.15Å; Y415-F448 AromaticContact CG-CE2 3.69Å; Y415-F448 HydrophobicContact CG-CE2 3.69Å; H425-F448 HydrophobicContact CB-CE1 4.21Å; F428-F448 HydrophobicContact CD2-CB 4.17Å; F428-F448 AromaticContact CD2-CD1 3.48Å; F428-F448 HydrophobicContact CD2-CD1 3.48Å; F428-F448 VanDerWaalsContact CD2-CD1 3.48Å; F428-F448 HydrophobicContact CD2-CD2 4.43Å; F428-F448 AromaticContact CD2-CE1 3.91Å; F428-F448 HydrophobicContact CD2-CE1 3.91Å; F428-F448 AromaticContact CD2-CG 3.76Å; F428-F448 HydrophobicContact CD2-CG 3.76Å; F428-F448 HydrophobicContact CE2-CB 3.4Å; F428-F448 AromaticContact CE2-CD1 3.56Å; F428-F448 HydrophobicContact CE2-CD1 3.56Å; F428-F448 AromaticContact CE2-CD2 3.85Å; F428-F448 HydrophobicContact CE2-CD2 3.85Å; F428-F448 HydrophobicContact CE2-CE1 4.28Å; F428-F448 AromaticContact CE2-CG 3.3Å; F428-F448 HydrophobicContact CE2-CG 3.3Å; F428-F448 HydrophobicContact CZ-CB 3.81Å; F428-F448 HydrophobicContact CZ-CG 4.22Å; C444-F448 PolarHBondContact O-N 3.46Å; C444-F448 VanDerWaalsContact O-N 3.09Å; Y445-F448 AromaticContact CD2-CD1 3.9Å; Y445-F448 HydrophobicContact CD2-CD1 3.9Å; Y445-F448 AromaticContact CE2-CD1 3.95Å; Y445-F448 HydrophobicContact CE2-CD1 3.95Å; Y445-F448 HydrophobicContact CE2-CE1 4.31Å; Y445-F448 PolarHBondContact O-N 2.96Å; V446-F448 PolarHBondContact O-N 3.34Å; F448-A450 VanDerWaalsContact C-N 3.34Å; F448-A450 PolarHBondContact O-N 3.3Å; F448-H451 PolarHBondContact O-N 3.2Å; F448-L452 HydrophobicContact CE1-CD1 3.88Å; F448-L452 HydrophobicContact CE2-CD2 4.42Å; F448-L452 HydrophobicContact CZ-CD1 3.89Å; F448-L452 HydrophobicContact CZ-CD2 4.4Å; F448-L452 HydrophobicContact CZ-CG 4.37Å; F448-L452 PolarHBondContact O-N 2.9Å |
| 449 | M | 90.7 | Very high | 90.3 | Very high | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.8 | -30.8 | 179.5 | -66.6 | -177 | 72.2 | 0 | 0 | 112.5 | Y445 V446 D447 H451 L452 N453 N457 I458 L461 | Y445-M449 HydrophobicContact CD2-CG 3.91Å; Y445-M449 HydrophobicContact CD2-SD 3.97Å; Y445-M449 HydrophobicContact CE2-CG 3.67Å; Y445-M449 HydrophobicContact CE2-SD 3.48Å; Y445-M449 WeakPolarHBondContact CE2-SD 3.33Å; Y445-M449 WeakPolarHBondContact O-CG 3.16Å; Y445-M449 PolarHBondContact O-N 2.93Å; V446-M449 PolarHBondContact O-N 3.02Å; V446-M449 VanDerWaalsContact O-N 3.16Å; D447-M449 PolarHBondContact O-N 2.91Å; M449-H451 VanDerWaalsContact C-N 3.3Å; M449-H451 PolarHBondContact O-N 3.02Å; M449-L452 WeakPolarHBondContact O-CA 3.5Å; M449-L452 WeakPolarHBondContact O-CB 3.16Å; M449-L452 PolarHBondContact O-N 3.08Å; M449-N453 PolarHBondContact O-N 3.33Å; M449-N457 VanDerWaalsContact CE-C 3.41Å; M449-N457 HydrophobicContact CE-CB 3.37Å; M449-N457 WeakPolarHBondContact CE-O 3.47Å; M449-I458 HydrophobicContact CB-CD1 4.47Å; M449-I458 HydrophobicContact CB-CG1 3.63Å; M449-L461 HydrophobicContact SD-CB 4.07Å; M449-L461 HydrophobicContact SD-CD2 3.54Å; M449-L461 VanDerWaalsContact SD-CD2 3.54Å; M449-L461 HydrophobicContact SD-CG 4.36Å |
| 450 | A | 88.3 | Confident | 90.4 | Very high | 40 Ų | 40 | 34 Ų | 34 | 33% | 0.331 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.6 | -39.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V446 D447 F448 L452 N453 I458 | V446-A450 WeakPolarHBondContact O-CB 3.3Å; V446-A450 PolarHBondContact O-N 3.2Å; D447-A450 WeakPolarHBondContact O-CB 3.29Å; D447-A450 PolarHBondContact O-N 3.47Å; F448-A450 VanDerWaalsContact C-N 3.34Å; F448-A450 PolarHBondContact O-N 3.3Å; A450-L452 PolarHBondContact O-N 2.96Å; A450-N453 PolarHBondContact O-N 3.08Å; A450-N453 VanDerWaalsContact O-N 3.08Å; A450-I458 HydrophobicContact CB-CD1 4.33Å |
| 451 | H | 83.3 | Confident | 90.4 | Very high | 54 Ų | 54 | 31.7 Ų | 31.7 | 25% | 0.25 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.6 | -17.2 | 172.5 | -64.6 | -59.3 | 0 | 0 | 0 | 114.5 | Y415 D447 F448 M449 N453 L562 | Y415-H451 HydrophobicContact CE1-CB 4.16Å; Y415-H451 PolarHBondContact OH-O 3.39Å; D447-H451 PolarHBondContact O-CD2 2.88Å; D447-H451 PolarHBondContact O-N 3.27Å; F448-H451 PolarHBondContact O-N 3.2Å; M449-H451 VanDerWaalsContact C-N 3.3Å; M449-H451 PolarHBondContact O-N 3.02Å; H451-N453 VanDerWaalsContact C-N 3.35Å; H451-L562 VanDerWaalsContact NE2-CD1 3.32Å; H451-L562 WeakPolarHBondContact NE2-CD1 3.33Å |
| 452 | L | 86.5 | Confident | 90.4 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -82.2 | -16.2 | 171.1 | -55.3 | -172.7 | 0 | 0 | 0 | 112.6 | Y415 K421 F448 M449 A450 E454 | Y415-L452 HydrophobicContact CD2-CD2 4.13Å; Y415-L452 HydrophobicContact CE2-CD2 3.45Å; Y415-L452 VanDerWaalsContact CE2-CD2 3.45Å; K421-L452 HydrophobicContact CB-CD2 4.3Å; K421-L452 HydrophobicContact CD-CD2 3.81Å; K421-L452 HydrophobicContact CG-CD2 3.77Å; F448-L452 HydrophobicContact CE1-CD1 3.88Å; F448-L452 HydrophobicContact CE2-CD2 4.42Å; F448-L452 HydrophobicContact CZ-CD1 3.89Å; F448-L452 HydrophobicContact CZ-CD2 4.4Å; F448-L452 HydrophobicContact CZ-CG 4.37Å; F448-L452 PolarHBondContact O-N 2.9Å; M449-L452 WeakPolarHBondContact O-CA 3.5Å; M449-L452 WeakPolarHBondContact O-CB 3.16Å; M449-L452 PolarHBondContact O-N 3.08Å; A450-L452 PolarHBondContact O-N 2.96Å; L452-E454 VanDerWaalsContact C-N 3.29Å; L452-E454 HydrophobicContact CB-CG 4.06Å; L452-E454 PolarHBondContact O-N 3.31Å |
| 453 | N | 84.5 | Confident | 90.3 | Very high | 53 Ų | 53 | 35.3 Ų | 35.3 | 28% | 0.283 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 37.7 | -176.1 | -159.6 | 82.7 | 0 | 0 | 0 | 113.4 | M449 A450 H451 R812 | M449-N453 PolarHBondContact O-N 3.33Å; A450-N453 PolarHBondContact O-N 3.08Å; A450-N453 VanDerWaalsContact O-N 3.08Å; H451-N453 VanDerWaalsContact C-N 3.35Å; N453-R812 VanDerWaalsContact OD1-CZ 3.26Å; N453-R812 PolarHBondContact OD1-NE 3.11Å; N453-R812 PolarHBondContact OD1-NH2 2.92Å |
| 454 | E | 84.9 | Confident | 90.3 | Very high | 72 Ų | 72 | 39.8 Ų | 39.8 | 34% | 0.336 | 20% | 0.203 | S | C | . | . | trans | -102.6 | 71.4 | 179.8 | -67.2 | 178.4 | -172.4 | 0 | 0 | 110.7 | L452 N456 N457 I458 | L452-E454 VanDerWaalsContact C-N 3.29Å; L452-E454 HydrophobicContact CB-CG 4.06Å; L452-E454 PolarHBondContact O-N 3.31Å; E454-N456 PolarHBondContact O-N 3.33Å; E454-N456 VanDerWaalsContact O-N 3.1Å; E454-N457 HydrophobicContact CB-CB 4.04Å; E454-N457 PolarHBondContact O-N 3.16Å; E454-N457 PolarHBondContact OE2-ND2 3.47Å; E454-I458 PolarHBondContact O-N 3Å; E454-I458 VanDerWaalsContact O-N 3.07Å | ||
| 455 | D | 89.9 | Confident | 90.2 | Very high | 38 Ų | 38 | 39.1 Ų | 39.1 | 20% | 0.203 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -53.7 | -37.5 | -169.5 | -59.1 | -29.9 | 0 | 0 | 0 | 113.9 | R459 F486 V490 R812 | D455-R459 WeakPolarHBondContact O-CG 3.35Å; D455-R459 PolarHBondContact O-N 3.43Å; D455-R459 VanDerWaalsContact O-N 3.11Å; D455-F486 HydrophobicContact CB-CZ 4.05Å; D455-V490 HydrophobicContact CB-CG2 4.31Å; D455-R812 IonicContact OD1-NH2 3.12Å |
| 456 | N | 91.3 | Very high | 89.9 | Confident | 108 Ų | 108 | 40.8 Ų | 40.8 | 58% | 0.578 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63.2 | -42.2 | 175.4 | -178.2 | 74.6 | 0 | 0 | 0 | 112.3 | E454 R459 V460 | E454-N456 PolarHBondContact O-N 3.33Å; E454-N456 VanDerWaalsContact O-N 3.1Å; N456-R459 PolarHBondContact O-N 3.27Å; N456-V460 WeakPolarHBondContact O-CG2 3.41Å; N456-V460 PolarHBondContact O-N 3.23Å |
| 457 | N | 91 | Very high | 89.6 | Confident | 66 Ų | 66 | 43.4 Ų | 43.4 | 35% | 0.353 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -74.4 | -32.1 | -176.3 | -62.2 | -12.9 | 0 | 0 | 0 | 110.7 | M449 E454 V460 L461 | M449-N457 VanDerWaalsContact CE-C 3.41Å; M449-N457 HydrophobicContact CE-CB 3.37Å; M449-N457 WeakPolarHBondContact CE-O 3.47Å; E454-N457 HydrophobicContact CB-CB 4.04Å; E454-N457 PolarHBondContact O-N 3.16Å; E454-N457 PolarHBondContact OE2-ND2 3.47Å; N457-V460 PolarHBondContact O-N 2.62Å; N457-L461 PolarHBondContact O-N 3.47Å |
| 458 | I | 92.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 171.3 | -61.4 | 162.5 | 0 | 0 | 0 | 110.8 | V446 M449 A450 E454 V460 L461 F462 F486 | V446-I458 HydrophobicContact CG1-CG2 4.29Å; M449-I458 HydrophobicContact CB-CD1 4.47Å; M449-I458 HydrophobicContact CB-CG1 3.63Å; A450-I458 HydrophobicContact CB-CD1 4.33Å; E454-I458 PolarHBondContact O-N 3Å; E454-I458 VanDerWaalsContact O-N 3.07Å; I458-V460 VanDerWaalsContact C-N 3.35Å; I458-V460 PolarHBondContact O-N 3.28Å; I458-L461 PolarHBondContact O-N 3.45Å; I458-L461 VanDerWaalsContact O-N 3.16Å; I458-F462 HydrophobicContact CG2-CD2 3.8Å; I458-F462 HydrophobicContact CG2-CE2 3.55Å; I458-F462 WeakPolarHBondContact O-CD2 3.32Å; I458-F462 PolarHBondContact O-N 3.48Å; I458-F486 HydrophobicContact CB-CE1 4.44Å; I458-F486 HydrophobicContact CB-CE2 3.91Å; I458-F486 HydrophobicContact CB-CZ 3.79Å; I458-F486 HydrophobicContact CD1-CD2 4.4Å; I458-F486 HydrophobicContact CD1-CE2 3.56Å; I458-F486 HydrophobicContact CD1-CZ 4.12Å; I458-F486 HydrophobicContact CG1-CE2 4.34Å; I458-F486 HydrophobicContact CG2-CD1 4.26Å; I458-F486 HydrophobicContact CG2-CD2 3.8Å; I458-F486 HydrophobicContact CG2-CE1 4.06Å; I458-F486 HydrophobicContact CG2-CE2 3.56Å; I458-F486 HydrophobicContact CG2-CG 4.13Å; I458-F486 HydrophobicContact CG2-CZ 3.68Å |
| 459 | R | 92.9 | Very high | 88.6 | Confident | 71 Ų | 71 | 51.8 Ų | 51.8 | 27% | 0.268 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.4 | -46.7 | 173.6 | -71.2 | 173.9 | 174.3 | 114.8 | 1.9 | 111.7 | D455 N456 L461 F462 E463 F483 F486 E487 | D455-R459 WeakPolarHBondContact O-CG 3.35Å; D455-R459 PolarHBondContact O-N 3.43Å; D455-R459 VanDerWaalsContact O-N 3.11Å; N456-R459 PolarHBondContact O-N 3.27Å; R459-L461 VanDerWaalsContact C-N 3.3Å; R459-L461 PolarHBondContact O-N 3.11Å; R459-F462 PolarHBondContact O-N 3.32Å; R459-E463 WeakPolarHBondContact O-CG 3.29Å; R459-E463 PolarHBondContact O-N 3.24Å; R459-F483 HydrophobicContact CG-CE2 4.43Å; R459-F486 HydrophobicContact CG-CE1 3.71Å; R459-F486 HydrophobicContact CG-CZ 4.39Å; R459-E487 WeakPolarHBondContact CD-OE1 3.21Å; R459-E487 WeakPolarHBondContact CG-OE1 3.41Å; R459-E487 IonicContact CZ-OE1 3.81Å; R459-E487 IonicContact CZ-OE2 2.71Å; R459-E487 IonicContact NE-OE1 2.7Å; R459-E487 PolarHBondContact NE-OE1 2.81Å; R459-E487 IonicContact NE-OE2 3.83Å; R459-E487 IonicContact NH2-OE1 2.73Å; R459-E487 PolarHBondContact NH2-OE1 2.89Å; R459-E487 IonicContact NH2-OE2 3.13Å; R459-E487 PolarHBondContact NH2-OE2 2.94Å |
| 460 | V | 92.8 | Very high | 88 | Confident | 82 Ų | 82 | 57.3 Ų | 57.3 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 176.5 | 171 | 0 | 0 | 0 | 0 | 111.7 | N456 N457 I458 R464 | N456-V460 WeakPolarHBondContact O-CG2 3.41Å; N456-V460 PolarHBondContact O-N 3.23Å; N457-V460 PolarHBondContact O-N 2.62Å; I458-V460 VanDerWaalsContact C-N 3.35Å; I458-V460 PolarHBondContact O-N 3.28Å; V460-R464 WeakPolarHBondContact O-CB 3.29Å; V460-R464 PolarHBondContact O-N 2.94Å |
| 461 | L | 92.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 175 | 178.9 | 61.5 | 0 | 0 | 0 | 112 | M432 Y445 V446 M449 N457 I458 R459 R464 A465 | M432-L461 HydrophobicContact CE-CD1 4.21Å; Y445-L461 HydrophobicContact CD1-CD1 3.64Å; Y445-L461 HydrophobicContact CD1-CD2 3.59Å; Y445-L461 HydrophobicContact CD1-CG 4.31Å; Y445-L461 HydrophobicContact CD2-CD2 4.16Å; Y445-L461 HydrophobicContact CE1-CD1 3.72Å; Y445-L461 HydrophobicContact CE1-CD2 4.06Å; Y445-L461 HydrophobicContact CG-CD2 3.64Å; V446-L461 HydrophobicContact CB-CD2 4.39Å; V446-L461 HydrophobicContact CG2-CD2 3.59Å; V446-L461 HydrophobicContact CG2-CG 4.12Å; M449-L461 HydrophobicContact SD-CB 4.07Å; M449-L461 HydrophobicContact SD-CD2 3.54Å; M449-L461 VanDerWaalsContact SD-CD2 3.54Å; M449-L461 HydrophobicContact SD-CG 4.36Å; N457-L461 PolarHBondContact O-N 3.47Å; I458-L461 PolarHBondContact O-N 3.45Å; I458-L461 VanDerWaalsContact O-N 3.16Å; R459-L461 VanDerWaalsContact C-N 3.3Å; R459-L461 PolarHBondContact O-N 3.11Å; L461-R464 VanDerWaalsContact CD1-NH2 3.34Å; L461-R464 PolarHBondContact O-N 3.16Å; L461-A465 WeakPolarHBondContact O-CB 3.39Å; L461-A465 PolarHBondContact O-N 2.99Å |
| 462 | F | 92.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.6 | -49.7 | 176 | -80.1 | -59.9 | 0 | 0 | 0 | 112.1 | V446 I458 R459 R464 A465 L466 I479 R482 F483 F486 | V446-F462 HydrophobicContact CB-CZ 4.38Å; V446-F462 HydrophobicContact CG1-CE1 4.12Å; V446-F462 HydrophobicContact CG1-CE2 3.95Å; V446-F462 HydrophobicContact CG1-CZ 3.5Å; V446-F462 VanDerWaalsContact CG1-CZ 3.5Å; V446-F462 HydrophobicContact CG2-CD1 4.16Å; V446-F462 HydrophobicContact CG2-CE1 3.82Å; V446-F462 HydrophobicContact CG2-CE2 4.39Å; V446-F462 HydrophobicContact CG2-CZ 3.96Å; I458-F462 HydrophobicContact CG2-CD2 3.8Å; I458-F462 HydrophobicContact CG2-CE2 3.55Å; I458-F462 WeakPolarHBondContact O-CD2 3.32Å; I458-F462 PolarHBondContact O-N 3.48Å; R459-F462 PolarHBondContact O-N 3.32Å; F462-R464 VanDerWaalsContact C-N 3.33Å; F462-R464 PolarHBondContact O-N 3.11Å; F462-A465 PolarHBondContact O-N 3Å; F462-L466 WeakPolarHBondContact O-CB 3.4Å; F462-L466 WeakPolarHBondContact O-CG 3.44Å; F462-L466 PolarHBondContact O-N 2.81Å; F462-I479 HydrophobicContact CD1-CG2 3.7Å; F462-I479 HydrophobicContact CE1-CG2 4.09Å; F462-R482 HydrophobicContact CE1-CB 4.24Å; F462-R482 HydrophobicContact CZ-CB 4.29Å; F462-F483 HydrophobicContact CB-CD1 3.8Å; F462-F483 HydrophobicContact CB-CD2 3.99Å; F462-F483 HydrophobicContact CB-CE1 3.85Å; F462-F483 HydrophobicContact CB-CE2 4.06Å; F462-F483 HydrophobicContact CB-CG 3.88Å; F462-F483 HydrophobicContact CB-CZ 3.99Å; F462-F483 HydrophobicContact CD1-CB 3.7Å; F462-F483 HydrophobicContact CD1-CD1 4.43Å; F462-F483 HydrophobicContact CD1-CD2 4.37Å; F462-F483 AromaticContact CD1-CG 3.95Å; F462-F483 HydrophobicContact CD1-CG 3.95Å; F462-F483 HydrophobicContact CD2-CB 4.18Å; F462-F483 AromaticContact CD2-CD2 3.38Å; F462-F483 HydrophobicContact CD2-CD2 3.38Å; F462-F483 AromaticContact CD2-CE2 3.85Å; F462-F483 HydrophobicContact CD2-CE2 3.85Å; F462-F483 AromaticContact CD2-CG 3.82Å; F462-F483 HydrophobicContact CD2-CG 3.82Å; F462-F483 HydrophobicContact CE1-CB 3.74Å; F462-F483 HydrophobicContact CE1-CG 4.38Å; F462-F483 HydrophobicContact CE2-CB 4.21Å; F462-F483 AromaticContact CE2-CD2 3.82Å; F462-F483 HydrophobicContact CE2-CD2 3.82Å; F462-F483 HydrophobicContact CE2-CG 4.26Å; F462-F483 HydrophobicContact CG-CB 3.93Å; F462-F483 HydrophobicContact CG-CD1 4.09Å; F462-F483 AromaticContact CG-CD2 3.69Å; F462-F483 HydrophobicContact CG-CD2 3.69Å; F462-F483 HydrophobicContact CG-CE2 4.19Å; F462-F483 AromaticContact CG-CG 3.64Å; F462-F483 HydrophobicContact CG-CG 3.64Å; F462-F483 VanDerWaalsContact CZ-CA 3.49Å; F462-F483 HydrophobicContact CZ-CB 3.99Å; F462-F483 HydrophobicContact CZ-CD2 4.46Å; F462-F486 HydrophobicContact CD2-CD1 4.37Å; F462-F486 HydrophobicContact CE2-CB 3.86Å; F462-F486 AromaticContact CE2-CD1 3.95Å; F462-F486 HydrophobicContact CE2-CD1 3.95Å; F462-F486 AromaticContact CE2-CG 3.88Å; F462-F486 HydrophobicContact CE2-CG 3.88Å; F462-F486 HydrophobicContact CZ-CB 4.27Å |
| 463 | E | 92.1 | Very high | 87.1 | Confident | 76 Ų | 76 | 63.1 Ų | 63.1 | 36% | 0.355 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 178.5 | -65.1 | -68.9 | -178.1 | 0 | 0 | 111.8 | R459 G467 R502 | R459-E463 WeakPolarHBondContact O-CG 3.29Å; R459-E463 PolarHBondContact O-N 3.24Å; E463-G467 PolarHBondContact O-N 3.09Å; E463-R502 VanDerWaalsContact CD-NH1 3.27Å; E463-R502 IonicContact OE1-CZ 3.94Å; E463-R502 IonicContact OE1-NH1 3Å; E463-R502 PolarHBondContact OE1-NH1 2.9Å; E463-R502 IonicContact OE1-NH2 2.95Å; E463-R502 IonicContact OE2-CZ 3.27Å; E463-R502 IonicContact OE2-NH1 2.69Å; E463-R502 PolarHBondContact OE2-NH1 2.89Å; E463-R502 IonicContact OE2-NH2 2.66Å; E463-R502 PolarHBondContact OE2-NH2 2.79Å |
| 464 | R | 91.5 | Very high | 86.6 | Confident | 98 Ų | 98 | 67.4 Ų | 67.4 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 176.3 | -175.6 | 177.4 | 67.3 | 167.2 | 0.5 | 112.5 | E429 V460 L461 F462 S468 | E429-R464 IonicContact OE1-CZ 2.71Å; E429-R464 IonicContact OE1-NH1 2.7Å; E429-R464 PolarHBondContact OE1-NH1 3.11Å; E429-R464 IonicContact OE1-NH2 3.15Å; E429-R464 PolarHBondContact OE1-NH2 3.35Å; E429-R464 IonicContact OE2-CZ 3.12Å; E429-R464 IonicContact OE2-NH1 3.5Å; E429-R464 PolarHBondContact OE2-NH1 3.19Å; E429-R464 IonicContact OE2-NH2 3.02Å; V460-R464 WeakPolarHBondContact O-CB 3.29Å; V460-R464 PolarHBondContact O-N 2.94Å; L461-R464 VanDerWaalsContact CD1-NH2 3.34Å; L461-R464 PolarHBondContact O-N 3.16Å; F462-R464 VanDerWaalsContact C-N 3.33Å; F462-R464 PolarHBondContact O-N 3.11Å; R464-S468 WeakPolarHBondContact O-CB 3.49Å; R464-S468 PolarHBondContact O-N 3.05Å |
| 465 | A | 90 | Very high | 86.4 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.5 | -46.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M432 V442 L461 F462 S468 I471 I479 | M432-A465 HydrophobicContact CE-CB 4.46Å; V442-A465 HydrophobicContact CG1-CB 3.6Å; V442-A465 HydrophobicContact CG2-CB 4.28Å; L461-A465 WeakPolarHBondContact O-CB 3.39Å; L461-A465 PolarHBondContact O-N 2.99Å; F462-A465 PolarHBondContact O-N 3Å; A465-S468 WeakPolarHBondContact O-CB 3.44Å; A465-S468 PolarHBondContact O-N 2.99Å; A465-I471 HydrophobicContact CB-CD1 3.99Å; A465-I471 WeakPolarHBondContact O-CD1 3.39Å; A465-I479 HydrophobicContact CB-CD1 4.35Å |
| 466 | L | 88.7 | Confident | 86.2 | Confident | 37 Ų | 37 | 68 Ų | 68 | 19% | 0.194 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74 | -25 | -179.1 | -67 | 169.4 | 0 | 0 | 0 | 113.3 | F462 S468 A476 I479 W480 F483 | F462-L466 WeakPolarHBondContact O-CB 3.4Å; F462-L466 WeakPolarHBondContact O-CG 3.44Å; F462-L466 PolarHBondContact O-N 2.81Å; L466-S468 VanDerWaalsContact C-N 3.33Å; L466-A476 HydrophobicContact CD2-CB 4.2Å; L466-I479 HydrophobicContact CD1-CG2 4.2Å; L466-I479 HydrophobicContact CD2-CB 3.98Å; L466-I479 HydrophobicContact CD2-CG2 3.79Å; L466-I479 HydrophobicContact CG-CG2 3.85Å; L466-W480 HydrophobicContact CD1-CD2 3.88Å; L466-W480 HydrophobicContact CD1-CE3 3.85Å; L466-W480 HydrophobicContact CD1-CH2 3.84Å; L466-W480 HydrophobicContact CD1-CZ2 3.88Å; L466-W480 HydrophobicContact CD1-CZ3 3.82Å; L466-W480 HydrophobicContact CD2-CD2 4.18Å; L466-W480 HydrophobicContact CD2-CG 4.28Å; L466-W480 HydrophobicContact CD2-CZ2 4.31Å; L466-W480 HydrophobicContact CG-CZ2 4.49Å; L466-F483 HydrophobicContact CD1-CD1 3.75Å; L466-F483 HydrophobicContact CD1-CE1 4.25Å |
| 467 | G | 85.6 | Confident | 85.8 | Confident | 62 Ų | 62 | 64.7 Ų | 64.7 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E463 | E463-G467 PolarHBondContact O-N 3.09Š|
| 468 | S | 82.2 | Confident | 85.5 | Confident | 35 Ų | 35 | 63.1 Ų | 63.1 | 25% | 0.245 | 32% | 0.323 | C | S | . | . | trans | -91.6 | 120.8 | 177.8 | -178 | 0 | 0 | 0 | 0 | 111.1 | R464 A465 L466 Q470 I471 | R464-S468 WeakPolarHBondContact O-CB 3.49Å; R464-S468 PolarHBondContact O-N 3.05Å; A465-S468 WeakPolarHBondContact O-CB 3.44Å; A465-S468 PolarHBondContact O-N 2.99Å; L466-S468 VanDerWaalsContact C-N 3.33Å; S468-Q470 PolarHBondContact O-N 3Å; S468-Q470 WeakPolarHBondContact OG-CG 3.18Å; S468-Q470 PolarHBondContact OG-N 3.18Å; S468-I471 PolarHBondContact O-N 3.09Å | ||
| 469 | N | 77.1 | Confident | 85.3 | Confident | 170 Ų | 170 | 63.1 Ų | 63.1 | 91% | 0.909 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 2.1 | 174.7 | -66.7 | -12.5 | 0 | 0 | 0 | 114.1 | ||
| 470 | Q | 79.9 | Confident | 85.2 | Confident | 122 Ų | 122 | 60.6 Ų | 60.6 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -20.2 | 178.3 | -62.4 | -179.5 | 0.3 | 0 | 0 | 113.5 | G437 S468 | G437-Q470 VanDerWaalsContact CA-O 3.26Å; G437-Q470 WeakPolarHBondContact CA-O 3.42Å; S468-Q470 PolarHBondContact O-N 3Å; S468-Q470 WeakPolarHBondContact OG-CG 3.18Å; S468-Q470 PolarHBondContact OG-N 3.18Å |
| 471 | I | 79.8 | Confident | 84.8 | Confident | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -97.9 | 123.6 | -176.6 | -51.2 | -175.6 | 0 | 0 | 0 | 108.9 | G436 A439 V442 A465 S468 R475 A476 I479 | G436-I471 WeakPolarHBondContact O-CG1 3.43Å; A439-I471 HydrophobicContact CB-CG2 4.4Å; V442-I471 HydrophobicContact CG2-CD1 4.17Å; A465-I471 HydrophobicContact CB-CD1 3.99Å; A465-I471 WeakPolarHBondContact O-CD1 3.39Å; S468-I471 PolarHBondContact O-N 3.09Å; I471-R475 HydrophobicContact CG2-CB 4.17Å; I471-A476 HydrophobicContact CG2-CB 4.23Å; I471-I479 HydrophobicContact CD1-CD1 3.44Å; I471-I479 VanDerWaalsContact CD1-CD1 3.44Å; I471-I479 HydrophobicContact CG2-CD1 4.16Å |
| 472 | T | 80 | Confident | 84.6 | Confident | 78 Ų | 78 | 58.4 Ų | 58.4 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | trans | -64.5 | 144.1 | 176.6 | 62.1 | 0 | 0 | 0 | 0 | 110.7 | E474 R475 A476 | T472-E474 PolarHBondContact O-N 3.19Å; T472-E474 VanDerWaalsContact O-N 3.11Å; T472-R475 PolarHBondContact O-N 3.37Å; T472-A476 PolarHBondContact O-N 3.29Å | ||
| 473 | Q | 77.4 | Confident | 84.5 | Confident | 134 Ų | 134 | 58.6 Ų | 58.6 | 63% | 0.626 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -55 | -34.7 | -177.4 | -70 | -174.7 | -12.4 | 0 | 0 | 112.8 | A476 R477 | Q473-A476 PolarHBondContact O-N 2.76Å; Q473-R477 PolarHBondContact O-N 3Å |
| 474 | E | 75.2 | Confident | 84.4 | Confident | 142 Ų | 142 | 55.1 Ų | 55.1 | 66% | 0.664 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.4 | -42.6 | 174.8 | -63.4 | 176.5 | 169.5 | 0 | 0 | 112.8 | T472 R477 | T472-E474 PolarHBondContact O-N 3.19Å; T472-E474 VanDerWaalsContact O-N 3.11Å; E474-R477 VanDerWaalsContact O-CB 3.25Å; E474-R477 WeakPolarHBondContact O-CB 3.38Å; E474-R477 WeakPolarHBondContact O-CD 3.35Å; E474-R477 WeakPolarHBondContact O-CG 3.48Å |
| 475 | R | 80.2 | Confident | 84.1 | Confident | 110 Ų | 110 | 53.4 Ų | 53.4 | 42% | 0.415 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -80.9 | -27.5 | 178.5 | -67.2 | -169.7 | -175.8 | -146.5 | 6.2 | 112.7 | A439 E440 I471 T472 R477 L478 | A439-R475 HydrophobicContact CB-CB 3.87Å; E440-R475 IonicContact OE1-CZ 3.98Å; E440-R475 IonicContact OE1-NH1 3.81Å; E440-R475 PolarHBondContact OE1-NH1 3.05Å; E440-R475 VanDerWaalsContact OE1-NH1 3.1Å; E440-R475 IonicContact OE2-NH1 2.77Å; E440-R475 PolarHBondContact OE2-NH1 3.44Å; E440-R475 VanDerWaalsContact OE2-NH1 3.1Å; I471-R475 HydrophobicContact CG2-CB 4.17Å; T472-R475 PolarHBondContact O-N 3.37Å; R475-R477 PolarHBondContact O-N 3.11Å; R475-R477 VanDerWaalsContact O-N 3.15Å; R475-L478 WeakPolarHBondContact O-CB 3.37Å; R475-L478 PolarHBondContact O-N 3.05Å; R475-L478 VanDerWaalsContact O-N 3.15Å |
| 476 | A | 85.5 | Confident | 84.1 | Confident | 13 Ų | 13 | 54.2 Ų | 54.2 | 11% | 0.107 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.4 | -23 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L466 I471 T472 Q473 L478 I479 W480 | L466-A476 HydrophobicContact CD2-CB 4.2Å; I471-A476 HydrophobicContact CG2-CB 4.23Å; T472-A476 PolarHBondContact O-N 3.29Å; Q473-A476 PolarHBondContact O-N 2.76Å; A476-L478 VanDerWaalsContact C-N 3.28Å; A476-L478 PolarHBondContact O-N 3.05Å; A476-I479 PolarHBondContact O-N 3.25Å; A476-I479 VanDerWaalsContact O-N 3.14Å; A476-W480 VanDerWaalsContact O-CD1 3.24Å; A476-W480 PolarHBondContact O-N 3.42Å |
| 477 | R | 82.6 | Confident | 84.2 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -52.6 | -43.4 | 172.5 | -60.8 | -178.1 | 178.4 | -178.7 | -0.9 | 112.7 | Q473 E474 R475 W480 A481 L507 L551 | Q473-R477 PolarHBondContact O-N 3Å; E474-R477 VanDerWaalsContact O-CB 3.25Å; E474-R477 WeakPolarHBondContact O-CB 3.38Å; E474-R477 WeakPolarHBondContact O-CD 3.35Å; E474-R477 WeakPolarHBondContact O-CG 3.48Å; R475-R477 PolarHBondContact O-N 3.11Å; R475-R477 VanDerWaalsContact O-N 3.15Å; R477-W480 PolarHBondContact O-N 3.35Å; R477-A481 PolarHBondContact O-N 3Å; R477-L507 HydrophobicContact CG-CD2 3.8Å; R477-L551 HydrophobicContact CB-CD2 3.75Å; R477-L551 HydrophobicContact CB-CG 4.37Å; R477-L551 HydrophobicContact CG-CD2 3.95Å |
| 478 | L | 84.3 | Confident | 84.3 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 17% | 0.173 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 178.2 | -66.7 | 169 | 0 | 0 | 0 | 111.7 | A439 L443 R475 A476 A481 R482 Q550 | A439-L478 HydrophobicContact CB-CD1 4.5Å; L443-L478 HydrophobicContact CD1-CB 4.21Å; R475-L478 WeakPolarHBondContact O-CB 3.37Å; R475-L478 PolarHBondContact O-N 3.05Å; R475-L478 VanDerWaalsContact O-N 3.15Å; A476-L478 VanDerWaalsContact C-N 3.28Å; A476-L478 PolarHBondContact O-N 3.05Å; L478-A481 PolarHBondContact O-N 3.09Å; L478-R482 PolarHBondContact O-N 3.1Å; L478-R482 VanDerWaalsContact O-N 3.08Å; L478-Q550 HydrophobicContact CD2-CB 3.74Å |
| 479 | I | 89.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.1 | -43.9 | 179.6 | -55.9 | 178.8 | 0 | 0 | 0 | 110.1 | A439 V442 L443 F462 A465 L466 I471 A476 A481 R482 F483 | A439-I479 HydrophobicContact CB-CD1 3.9Å; A439-I479 HydrophobicContact CB-CG1 3.94Å; V442-I479 HydrophobicContact CB-CD1 4.32Å; V442-I479 HydrophobicContact CG1-CD1 4.25Å; L443-I479 HydrophobicContact CD2-CG1 4.34Å; F462-I479 HydrophobicContact CD1-CG2 3.7Å; F462-I479 HydrophobicContact CE1-CG2 4.09Å; A465-I479 HydrophobicContact CB-CD1 4.35Å; L466-I479 HydrophobicContact CD1-CG2 4.2Å; L466-I479 HydrophobicContact CD2-CB 3.98Å; L466-I479 HydrophobicContact CD2-CG2 3.79Å; L466-I479 HydrophobicContact CG-CG2 3.85Å; I471-I479 HydrophobicContact CD1-CD1 3.44Å; I471-I479 VanDerWaalsContact CD1-CD1 3.44Å; I471-I479 HydrophobicContact CG2-CD1 4.16Å; A476-I479 PolarHBondContact O-N 3.25Å; A476-I479 VanDerWaalsContact O-N 3.14Å; I479-A481 PolarHBondContact O-N 3.48Å; I479-R482 PolarHBondContact O-N 2.87Å; I479-F483 WeakPolarHBondContact O-CB 3.04Å; I479-F483 PolarHBondContact O-N 2.98Å |
| 480 | W | 89.5 | Confident | 85 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -41.2 | 174.1 | -79.5 | 119.4 | 0 | 0 | 0 | 113.2 | L466 A476 R477 F483 L484 V499 R502 R503 A506 | L466-W480 HydrophobicContact CD1-CD2 3.88Å; L466-W480 HydrophobicContact CD1-CE3 3.85Å; L466-W480 HydrophobicContact CD1-CH2 3.84Å; L466-W480 HydrophobicContact CD1-CZ2 3.88Å; L466-W480 HydrophobicContact CD1-CZ3 3.82Å; L466-W480 HydrophobicContact CD2-CD2 4.18Å; L466-W480 HydrophobicContact CD2-CG 4.28Å; L466-W480 HydrophobicContact CD2-CZ2 4.31Å; L466-W480 HydrophobicContact CG-CZ2 4.49Å; A476-W480 VanDerWaalsContact O-CD1 3.24Å; A476-W480 PolarHBondContact O-N 3.42Å; R477-W480 PolarHBondContact O-N 3.35Å; W480-F483 HydrophobicContact CE3-CD1 4.21Å; W480-F483 HydrophobicContact CZ3-CD1 4.04Å; W480-F483 HydrophobicContact CZ3-CE1 4.42Å; W480-F483 PolarHBondContact O-N 2.85Å; W480-L484 WeakPolarHBondContact O-CB 3.39Å; W480-L484 PolarHBondContact O-N 2.55Å; W480-V499 HydrophobicContact CE3-CG1 4.14Å; W480-V499 HydrophobicContact CZ3-CG1 4.15Å; W480-R502 HydrophobicContact CH2-CB 3.63Å; W480-R502 HydrophobicContact CZ2-CB 4.43Å; W480-R502 HydrophobicContact CZ3-CB 4.02Å; W480-R503 HydrophobicContact CB-CB 4.38Å; W480-R503 HydrophobicContact CB-CG 3.87Å; W480-R503 HydrophobicContact CD2-CB 4.01Å; W480-R503 HydrophobicContact CD2-CG 4.4Å; W480-R503 HydrophobicContact CE3-CB 3.88Å; W480-R503 HydrophobicContact CG-CB 4.26Å; W480-R503 HydrophobicContact CG-CG 4.11Å; W480-A506 HydrophobicContact CZ2-CB 4.14Å |
| 481 | A | 85.3 | Confident | 85.3 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R477 L478 I479 Q485 L551 | R477-A481 PolarHBondContact O-N 3Å; L478-A481 PolarHBondContact O-N 3.09Å; I479-A481 PolarHBondContact O-N 3.48Å; A481-Q485 PolarHBondContact O-N 2.98Å; A481-L551 WeakPolarHBondContact CB-O 3.5Å |
| 482 | R | 87.9 | Confident | 85.8 | Confident | 34 Ų | 34 | 49 Ų | 49 | 13% | 0.128 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.3 | -33.3 | 175.7 | -75.3 | -60.4 | -161.6 | 91 | -6.6 | 113.6 | L443 D447 F462 L478 I479 Q485 F486 | L443-R482 HydrophobicContact CD1-CG 4.06Å; L443-R482 HydrophobicContact CD2-CB 3.71Å; L443-R482 HydrophobicContact CD2-CG 3.68Å; L443-R482 HydrophobicContact CG-CG 4.49Å; D447-R482 IonicContact OD1-CZ 2.68Å; D447-R482 IonicContact OD1-NH1 3.9Å; D447-R482 PolarHBondContact OD1-NH1 3.31Å; D447-R482 IonicContact OD2-NH1 3.4Å; F462-R482 HydrophobicContact CE1-CB 4.24Å; F462-R482 HydrophobicContact CZ-CB 4.29Å; L478-R482 PolarHBondContact O-N 3.1Å; L478-R482 VanDerWaalsContact O-N 3.08Å; I479-R482 PolarHBondContact O-N 2.87Å; R482-Q485 VanDerWaalsContact CD-OE1 3.26Å; R482-Q485 PolarHBondContact O-N 3.42Å; R482-F486 WeakPolarHBondContact O-CB 3.42Å; R482-F486 PolarHBondContact O-N 2.88Å |
| 483 | F | 91.4 | Very high | 86.3 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 175.1 | -167.3 | -172.6 | 0 | 0 | 0 | 111.2 | R459 F462 L466 I479 W480 F486 E487 V499 | R459-F483 HydrophobicContact CG-CE2 4.43Å; F462-F483 HydrophobicContact CB-CD1 3.8Å; F462-F483 HydrophobicContact CB-CD2 3.99Å; F462-F483 HydrophobicContact CB-CE1 3.85Å; F462-F483 HydrophobicContact CB-CE2 4.06Å; F462-F483 HydrophobicContact CB-CG 3.88Å; F462-F483 HydrophobicContact CB-CZ 3.99Å; F462-F483 HydrophobicContact CD1-CB 3.7Å; F462-F483 HydrophobicContact CD1-CD1 4.43Å; F462-F483 HydrophobicContact CD1-CD2 4.37Å; F462-F483 AromaticContact CD1-CG 3.95Å; F462-F483 HydrophobicContact CD1-CG 3.95Å; F462-F483 HydrophobicContact CD2-CB 4.18Å; F462-F483 AromaticContact CD2-CD2 3.38Å; F462-F483 HydrophobicContact CD2-CD2 3.38Å; F462-F483 AromaticContact CD2-CE2 3.85Å; F462-F483 HydrophobicContact CD2-CE2 3.85Å; F462-F483 AromaticContact CD2-CG 3.82Å; F462-F483 HydrophobicContact CD2-CG 3.82Å; F462-F483 HydrophobicContact CE1-CB 3.74Å; F462-F483 HydrophobicContact CE1-CG 4.38Å; F462-F483 HydrophobicContact CE2-CB 4.21Å; F462-F483 AromaticContact CE2-CD2 3.82Å; F462-F483 HydrophobicContact CE2-CD2 3.82Å; F462-F483 HydrophobicContact CE2-CG 4.26Å; F462-F483 HydrophobicContact CG-CB 3.93Å; F462-F483 HydrophobicContact CG-CD1 4.09Å; F462-F483 AromaticContact CG-CD2 3.69Å; F462-F483 HydrophobicContact CG-CD2 3.69Å; F462-F483 HydrophobicContact CG-CE2 4.19Å; F462-F483 AromaticContact CG-CG 3.64Å; F462-F483 HydrophobicContact CG-CG 3.64Å; F462-F483 VanDerWaalsContact CZ-CA 3.49Å; F462-F483 HydrophobicContact CZ-CB 3.99Å; F462-F483 HydrophobicContact CZ-CD2 4.46Å; L466-F483 HydrophobicContact CD1-CD1 3.75Å; L466-F483 HydrophobicContact CD1-CE1 4.25Å; I479-F483 WeakPolarHBondContact O-CB 3.04Å; I479-F483 PolarHBondContact O-N 2.98Å; W480-F483 HydrophobicContact CE3-CD1 4.21Å; W480-F483 HydrophobicContact CZ3-CD1 4.04Å; W480-F483 HydrophobicContact CZ3-CE1 4.42Å; W480-F483 PolarHBondContact O-N 2.85Å; F483-F486 HydrophobicContact CD2-CD1 4.26Å; F483-F486 HydrophobicContact CE2-CD1 4.47Å; F483-F486 PolarHBondContact O-N 3.2Å; F483-E487 HydrophobicContact CD2-CG 4.08Å; F483-E487 HydrophobicContact CE2-CG 3.91Å; F483-E487 WeakPolarHBondContact CE2-OE1 3.37Å; F483-E487 PolarHBondContact O-N 3.34Å; F483-V499 HydrophobicContact CD1-CG1 4.19Å; F483-V499 HydrophobicContact CD1-CG2 4.28Å; F483-V499 HydrophobicContact CD2-CG2 4.48Å; F483-V499 HydrophobicContact CE1-CG2 4Å; F483-V499 HydrophobicContact CE2-CG2 4.19Å; F483-V499 HydrophobicContact CG-CG1 4.23Å; F483-V499 HydrophobicContact CZ-CG2 3.95Å |
| 484 | L | 88.3 | Confident | 87 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 174 | -177.4 | 61.6 | 0 | 0 | 0 | 111.9 | W480 F486 E487 S488 I496 V499 E500 D523 | W480-L484 WeakPolarHBondContact O-CB 3.39Å; W480-L484 PolarHBondContact O-N 2.55Å; L484-F486 VanDerWaalsContact C-N 3.3Å; L484-F486 PolarHBondContact O-N 3.38Å; L484-E487 PolarHBondContact O-N 2.87Å; L484-S488 WeakPolarHBondContact O-CB 3.5Å; L484-S488 PolarHBondContact O-N 2.65Å; L484-I496 HydrophobicContact CD1-CG2 3.87Å; L484-V499 HydrophobicContact CB-CG1 4.34Å; L484-V499 HydrophobicContact CD1-CG1 4.43Å; L484-E500 HydrophobicContact CD1-CG 3.53Å; L484-E500 HydrophobicContact CD2-CG 4.19Å; L484-D523 HydrophobicContact CD2-CB 4.37Å |
| 485 | Q | 86.3 | Confident | 87.8 | Confident | 62 Ų | 62 | 41.7 Ų | 41.7 | 29% | 0.29 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.6 | -41.7 | 175 | -175.4 | 179.9 | 4.3 | 0 | 0 | 111.7 | A481 R482 S488 Q489 | A481-Q485 PolarHBondContact O-N 2.98Å; R482-Q485 VanDerWaalsContact CD-OE1 3.26Å; R482-Q485 PolarHBondContact O-N 3.42Å; Q485-S488 PolarHBondContact O-N 3.28Å; Q485-Q489 WeakPolarHBondContact O-CG 3.15Å; Q485-Q489 PolarHBondContact O-N 3.16Å |
| 486 | F | 89.7 | Confident | 88.3 | Confident | 16 Ų | 16 | 37.1 Ų | 37.1 | 7% | 0.07 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -49.4 | 176.9 | 168.8 | -95.2 | 0 | 0 | 0 | 112.3 | D455 I458 R459 F462 R482 F483 L484 S488 Q489 V490 | D455-F486 HydrophobicContact CB-CZ 4.05Å; I458-F486 HydrophobicContact CB-CE1 4.44Å; I458-F486 HydrophobicContact CB-CE2 3.91Å; I458-F486 HydrophobicContact CB-CZ 3.79Å; I458-F486 HydrophobicContact CD1-CD2 4.4Å; I458-F486 HydrophobicContact CD1-CE2 3.56Å; I458-F486 HydrophobicContact CD1-CZ 4.12Å; I458-F486 HydrophobicContact CG1-CE2 4.34Å; I458-F486 HydrophobicContact CG2-CD1 4.26Å; I458-F486 HydrophobicContact CG2-CD2 3.8Å; I458-F486 HydrophobicContact CG2-CE1 4.06Å; I458-F486 HydrophobicContact CG2-CE2 3.56Å; I458-F486 HydrophobicContact CG2-CG 4.13Å; I458-F486 HydrophobicContact CG2-CZ 3.68Å; R459-F486 HydrophobicContact CG-CE1 3.71Å; R459-F486 HydrophobicContact CG-CZ 4.39Å; F462-F486 HydrophobicContact CD2-CD1 4.37Å; F462-F486 HydrophobicContact CE2-CB 3.86Å; F462-F486 AromaticContact CE2-CD1 3.95Å; F462-F486 HydrophobicContact CE2-CD1 3.95Å; F462-F486 AromaticContact CE2-CG 3.88Å; F462-F486 HydrophobicContact CE2-CG 3.88Å; F462-F486 HydrophobicContact CZ-CB 4.27Å; R482-F486 WeakPolarHBondContact O-CB 3.42Å; R482-F486 PolarHBondContact O-N 2.88Å; F483-F486 HydrophobicContact CD2-CD1 4.26Å; F483-F486 HydrophobicContact CE2-CD1 4.47Å; F483-F486 PolarHBondContact O-N 3.2Å; L484-F486 VanDerWaalsContact C-N 3.3Å; L484-F486 PolarHBondContact O-N 3.38Å; F486-S488 VanDerWaalsContact C-N 3.27Å; F486-S488 PolarHBondContact O-N 2.93Å; F486-Q489 PolarHBondContact O-N 3.06Å; F486-V490 HydrophobicContact CD1-CG2 4.22Å; F486-V490 HydrophobicContact CD2-CG2 4.06Å; F486-V490 HydrophobicContact CE1-CG2 3.69Å; F486-V490 HydrophobicContact CE2-CG2 3.51Å; F486-V490 HydrophobicContact CG-CG2 4.39Å; F486-V490 HydrophobicContact CZ-CG2 3.31Å; F486-V490 PolarHBondContact O-N 2.71Å; F486-V490 VanDerWaalsContact O-N 3.09Å |
| 487 | E | 90.2 | Very high | 88.5 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 2% | 0.023 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.6 | -31.7 | 176.4 | -70.6 | -61.4 | 157.4 | 0 | 0 | 112.4 | R459 F483 L484 Q489 G491 S495 I496 V499 | R459-E487 WeakPolarHBondContact CD-OE1 3.21Å; R459-E487 WeakPolarHBondContact CG-OE1 3.41Å; R459-E487 IonicContact CZ-OE1 3.81Å; R459-E487 IonicContact CZ-OE2 2.71Å; R459-E487 IonicContact NE-OE1 2.7Å; R459-E487 PolarHBondContact NE-OE1 2.81Å; R459-E487 IonicContact NE-OE2 3.83Å; R459-E487 IonicContact NH2-OE1 2.73Å; R459-E487 PolarHBondContact NH2-OE1 2.89Å; R459-E487 IonicContact NH2-OE2 3.13Å; R459-E487 PolarHBondContact NH2-OE2 2.94Å; F483-E487 HydrophobicContact CD2-CG 4.08Å; F483-E487 HydrophobicContact CE2-CG 3.91Å; F483-E487 WeakPolarHBondContact CE2-OE1 3.37Å; F483-E487 PolarHBondContact O-N 3.34Å; L484-E487 PolarHBondContact O-N 2.87Å; E487-Q489 PolarHBondContact O-N 3.25Å; E487-G491 WeakPolarHBondContact O-CA 3.48Å; E487-G491 PolarHBondContact O-N 3.43Å; E487-G491 WeakPolarHBondContact OE2-CA 3.37Å; E487-S495 WeakPolarHBondContact OE2-CB 3.46Å; E487-S495 PolarHBondContact OE2-OG 3.47Å; E487-I496 HydrophobicContact CB-CG1 3.96Å; E487-V499 HydrophobicContact CG-CG2 4.01Å |
| 488 | S | 87.6 | Confident | 88.9 | Confident | 52 Ų | 52 | 45.4 Ų | 45.4 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.8 | -25.8 | 172.6 | -162.8 | 0 | 0 | 0 | 0 | 112.9 | L484 Q485 F486 R524 | L484-S488 WeakPolarHBondContact O-CB 3.5Å; L484-S488 PolarHBondContact O-N 2.65Å; Q485-S488 PolarHBondContact O-N 3.28Å; F486-S488 VanDerWaalsContact C-N 3.27Å; F486-S488 PolarHBondContact O-N 2.93Å; S488-R524 PolarHBondContact OG-O 3.16Å |
| 489 | Q | 86.2 | Confident | 89.2 | Confident | 113 Ų | 113 | 44.2 Ų | 44.2 | 53% | 0.528 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -93.1 | -29.1 | -178.7 | -70.8 | 177.5 | 0.7 | 0 | 0 | 115 | Q485 F486 E487 | Q485-Q489 WeakPolarHBondContact O-CG 3.15Å; Q485-Q489 PolarHBondContact O-N 3.16Å; F486-Q489 PolarHBondContact O-N 3.06Å; E487-Q489 PolarHBondContact O-N 3.25Å |
| 490 | V | 88 | Confident | 89.1 | Confident | 36 Ų | 36 | 45.6 Ų | 45.6 | 22% | 0.218 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -134.7 | -4.8 | -175 | -55.1 | 0 | 0 | 0 | 0 | 115.2 | D455 F486 | D455-V490 HydrophobicContact CB-CG2 4.31Å; F486-V490 HydrophobicContact CD1-CG2 4.22Å; F486-V490 HydrophobicContact CD2-CG2 4.06Å; F486-V490 HydrophobicContact CE1-CG2 3.69Å; F486-V490 HydrophobicContact CE2-CG2 3.51Å; F486-V490 HydrophobicContact CG-CG2 4.39Å; F486-V490 HydrophobicContact CZ-CG2 3.31Å; F486-V490 PolarHBondContact O-N 2.71Å; F486-V490 VanDerWaalsContact O-N 3.09Å |
| 491 | G | 86.1 | Confident | 89.1 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 32% | 0.32 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -88.2 | -171 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E487 S495 | E487-G491 WeakPolarHBondContact O-CA 3.48Å; E487-G491 PolarHBondContact O-N 3.43Å; E487-G491 WeakPolarHBondContact OE2-CA 3.37Å; G491-S495 WeakPolarHBondContact CA-OG 3.48Å |
| 492 | D | 90.3 | Very high | 89.3 | Confident | 99 Ų | 99 | 54.4 Ų | 54.4 | 53% | 0.529 | 29% | 0.285 | S | S | . | . | trans | -111.8 | 171.4 | 165.4 | 68 | 11 | 0 | 0 | 0 | 109.7 | A494 S495 I496 | D492-A494 PolarHBondContact O-N 2.85Å; D492-A494 VanDerWaalsContact O-N 3.14Å; D492-A494 WeakPolarHBondContact OD1-CA 3.41Å; D492-A494 WeakPolarHBondContact OD1-CB 3.3Å; D492-A494 PolarHBondContact OD1-N 2.93Å; D492-A494 VanDerWaalsContact OD1-N 3.12Å; D492-S495 PolarHBondContact N-OG 2.96Å; D492-S495 PolarHBondContact O-N 3.31Å; D492-S495 PolarHBondContact O-OG 3.2Å; D492-S495 VanDerWaalsContact O-OG 3.08Å; D492-S495 PolarHBondContact OD1-N 3.29Å; D492-I496 VanDerWaalsContact O-CG1 3.31Å; D492-I496 WeakPolarHBondContact O-CG1 3.42Å; D492-I496 PolarHBondContact O-N 2.9Å; D492-I496 VanDerWaalsContact O-N 3.1Å | ||
| 493 | L | 90.3 | Very high | 89.2 | Confident | 110 Ų | 110 | 53 Ų | 53 | 58% | 0.576 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.2 | -27.6 | 179.8 | -175.5 | 59.8 | 0 | 0 | 0 | 112.2 | L497 | L493-L497 HydrophobicContact CD1-CD1 4.3Å; L493-L497 HydrophobicContact CD1-CG 4.22Å; L493-L497 HydrophobicContact CG-CD1 3.97Å; L493-L497 HydrophobicContact CG-CG 4.36Å; L493-L497 WeakPolarHBondContact O-CB 3.25Å; L493-L497 WeakPolarHBondContact O-CD1 3.25Å; L493-L497 WeakPolarHBondContact O-CG 3.18Å; L493-L497 PolarHBondContact O-N 3.09Å |
| 494 | A | 93 | Very high | 88.7 | Confident | 65 Ų | 65 | 55.5 Ų | 55.5 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72.8 | -39.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D492 K498 | D492-A494 PolarHBondContact O-N 2.85Å; D492-A494 VanDerWaalsContact O-N 3.14Å; D492-A494 WeakPolarHBondContact OD1-CA 3.41Å; D492-A494 WeakPolarHBondContact OD1-CB 3.3Å; D492-A494 PolarHBondContact OD1-N 2.93Å; D492-A494 VanDerWaalsContact OD1-N 3.12Å; A494-K498 VanDerWaalsContact O-CB 3.26Å; A494-K498 WeakPolarHBondContact O-CB 3.39Å; A494-K498 PolarHBondContact O-N 2.99Å |
| 495 | S | 91.4 | Very high | 88.5 | Confident | 25 Ų | 25 | 61.1 Ų | 61.1 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 175.1 | 77.1 | 0 | 0 | 0 | 0 | 111.1 | E487 G491 D492 K498 V499 | E487-S495 WeakPolarHBondContact OE2-CB 3.46Å; E487-S495 PolarHBondContact OE2-OG 3.47Å; G491-S495 WeakPolarHBondContact CA-OG 3.48Å; D492-S495 PolarHBondContact N-OG 2.96Å; D492-S495 PolarHBondContact O-N 3.31Å; D492-S495 PolarHBondContact O-OG 3.2Å; D492-S495 VanDerWaalsContact O-OG 3.08Å; D492-S495 PolarHBondContact OD1-N 3.29Å; S495-K498 PolarHBondContact O-N 3.18Å; S495-V499 PolarHBondContact O-N 3.15Å |
| 496 | I | 90.5 | Very high | 88.3 | Confident | 15 Ų | 15 | 60 Ų | 60 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.4 | -55.8 | 174.7 | -64 | 165.5 | 0 | 0 | 0 | 110.4 | L484 E487 D492 K498 V499 E500 R524 | L484-I496 HydrophobicContact CD1-CG2 3.87Å; E487-I496 HydrophobicContact CB-CG1 3.96Å; D492-I496 VanDerWaalsContact O-CG1 3.31Å; D492-I496 WeakPolarHBondContact O-CG1 3.42Å; D492-I496 PolarHBondContact O-N 2.9Å; D492-I496 VanDerWaalsContact O-N 3.1Å; I496-K498 VanDerWaalsContact C-N 3.25Å; I496-K498 PolarHBondContact O-N 3.13Å; I496-V499 PolarHBondContact O-N 3.2Å; I496-V499 VanDerWaalsContact O-N 3.08Å; I496-E500 HydrophobicContact CG2-CG 4.36Å; I496-E500 WeakPolarHBondContact O-CG 3.49Å; I496-E500 PolarHBondContact O-N 3.06Å; I496-R524 HydrophobicContact CG2-CG 4.2Å |
| 497 | L | 90.6 | Very high | 87.6 | Confident | 84 Ų | 84 | 59.7 Ų | 59.7 | 44% | 0.44 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.3 | -33.5 | 179.5 | -70.8 | 169.8 | 0 | 0 | 0 | 112.6 | L493 K501 | L493-L497 HydrophobicContact CD1-CD1 4.3Å; L493-L497 HydrophobicContact CD1-CG 4.22Å; L493-L497 HydrophobicContact CG-CD1 3.97Å; L493-L497 HydrophobicContact CG-CG 4.36Å; L493-L497 WeakPolarHBondContact O-CB 3.25Å; L493-L497 WeakPolarHBondContact O-CD1 3.25Å; L493-L497 WeakPolarHBondContact O-CG 3.18Å; L493-L497 PolarHBondContact O-N 3.09Å; L497-K501 WeakPolarHBondContact O-CB 3.41Å; L497-K501 PolarHBondContact O-N 3.04Å |
| 498 | K | 91.8 | Very high | 86.5 | Confident | 142 Ų | 142 | 64.2 Ų | 64.2 | 62% | 0.617 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68.4 | -39.4 | 175.4 | -173.7 | -179 | -179.9 | -174.7 | 0 | 112 | A494 S495 I496 R502 | A494-K498 VanDerWaalsContact O-CB 3.26Å; A494-K498 WeakPolarHBondContact O-CB 3.39Å; A494-K498 PolarHBondContact O-N 2.99Å; S495-K498 PolarHBondContact O-N 3.18Å; I496-K498 VanDerWaalsContact C-N 3.25Å; I496-K498 PolarHBondContact O-N 3.13Å; K498-R502 WeakPolarHBondContact O-CG 3.44Å; K498-R502 PolarHBondContact O-N 3Å |
| 499 | V | 90.7 | Very high | 85.1 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.5 | -43 | 174.5 | 170 | 0 | 0 | 0 | 0 | 111.2 | W480 F483 L484 E487 S495 I496 K501 R502 R503 | W480-V499 HydrophobicContact CE3-CG1 4.14Å; W480-V499 HydrophobicContact CZ3-CG1 4.15Å; F483-V499 HydrophobicContact CD1-CG1 4.19Å; F483-V499 HydrophobicContact CD1-CG2 4.28Å; F483-V499 HydrophobicContact CD2-CG2 4.48Å; F483-V499 HydrophobicContact CE1-CG2 4Å; F483-V499 HydrophobicContact CE2-CG2 4.19Å; F483-V499 HydrophobicContact CG-CG1 4.23Å; F483-V499 HydrophobicContact CZ-CG2 3.95Å; L484-V499 HydrophobicContact CB-CG1 4.34Å; L484-V499 HydrophobicContact CD1-CG1 4.43Å; E487-V499 HydrophobicContact CG-CG2 4.01Å; S495-V499 PolarHBondContact O-N 3.15Å; I496-V499 PolarHBondContact O-N 3.2Å; I496-V499 VanDerWaalsContact O-N 3.08Å; V499-K501 PolarHBondContact O-N 3.05Å; V499-R502 PolarHBondContact O-N 2.78Å; V499-R503 VanDerWaalsContact O-CB 3.23Å; V499-R503 WeakPolarHBondContact O-CB 3.49Å; V499-R503 PolarHBondContact O-N 2.83Å |
| 500 | E | 86.8 | Confident | 83.8 | Confident | 29 Ų | 29 | 62 Ų | 62 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.7 | -49.7 | 173.8 | -72.5 | 178.9 | 169.4 | 0 | 0 | 111.3 | L484 I496 R502 R503 L504 R524 | L484-E500 HydrophobicContact CD1-CG 3.53Å; L484-E500 HydrophobicContact CD2-CG 4.19Å; I496-E500 HydrophobicContact CG2-CG 4.36Å; I496-E500 WeakPolarHBondContact O-CG 3.49Å; I496-E500 PolarHBondContact O-N 3.06Å; E500-R502 PolarHBondContact O-N 2.97Å; E500-R503 WeakPolarHBondContact O-CB 3.49Å; E500-R503 PolarHBondContact O-N 3.5Å; E500-L504 WeakPolarHBondContact O-CG 3.5Å; E500-L504 PolarHBondContact O-N 2.75Å; E500-R524 VanDerWaalsContact CD-NH1 3.34Å; E500-R524 WeakPolarHBondContact OE1-CD 3.42Å; E500-R524 IonicContact OE1-CZ 2.72Å; E500-R524 IonicContact OE1-NE 3.8Å; E500-R524 IonicContact OE1-NH1 3.47Å; E500-R524 PolarHBondContact OE1-NH1 3.27Å; E500-R524 IonicContact OE2-NH1 3.89Å; E500-R524 PolarHBondContact OE2-NH1 2.97Å |
| 501 | K | 88.2 | Confident | 82.5 | Confident | 135 Ų | 135 | 69.7 Ų | 69.7 | 59% | 0.587 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.4 | -42.5 | 178.7 | -176.1 | 172.7 | -178.9 | 174.3 | 0 | 112.7 | L497 V499 Q505 | L497-K501 WeakPolarHBondContact O-CB 3.41Å; L497-K501 PolarHBondContact O-N 3.04Å; V499-K501 PolarHBondContact O-N 3.05Å; K501-Q505 VanDerWaalsContact O-CG 3.3Å; K501-Q505 WeakPolarHBondContact O-CG 3.42Å; K501-Q505 PolarHBondContact O-N 2.76Å |
| 502 | R | 89.5 | Confident | 81.3 | Confident | 76 Ų | 76 | 73.6 Ų | 73.6 | 29% | 0.287 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.6 | -38.9 | 177.5 | -74.2 | 175.2 | 64.4 | -158.3 | 4.4 | 112.5 | E463 W480 K498 V499 E500 Q505 A506 | E463-R502 VanDerWaalsContact CD-NH1 3.27Å; E463-R502 IonicContact OE1-CZ 3.94Å; E463-R502 IonicContact OE1-NH1 3Å; E463-R502 PolarHBondContact OE1-NH1 2.9Å; E463-R502 IonicContact OE1-NH2 2.95Å; E463-R502 IonicContact OE2-CZ 3.27Å; E463-R502 IonicContact OE2-NH1 2.69Å; E463-R502 PolarHBondContact OE2-NH1 2.89Å; E463-R502 IonicContact OE2-NH2 2.66Å; E463-R502 PolarHBondContact OE2-NH2 2.79Å; W480-R502 HydrophobicContact CH2-CB 3.63Å; W480-R502 HydrophobicContact CZ2-CB 4.43Å; W480-R502 HydrophobicContact CZ3-CB 4.02Å; K498-R502 WeakPolarHBondContact O-CG 3.44Å; K498-R502 PolarHBondContact O-N 3Å; V499-R502 PolarHBondContact O-N 2.78Å; E500-R502 PolarHBondContact O-N 2.97Å; R502-Q505 PolarHBondContact O-N 3.1Å; R502-A506 WeakPolarHBondContact O-CB 3.42Å; R502-A506 PolarHBondContact O-N 2.87Å |
| 503 | R | 86.3 | Confident | 79.9 | Confident | 5 Ų | 5 | 69 Ų | 69 | 2% | 0.019 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 172.9 | 174.5 | 178.2 | -175.5 | -166.4 | 1.9 | 110.1 | W480 V499 E500 A506 L507 D523 L551 | W480-R503 HydrophobicContact CB-CB 4.38Å; W480-R503 HydrophobicContact CB-CG 3.87Å; W480-R503 HydrophobicContact CD2-CB 4.01Å; W480-R503 HydrophobicContact CD2-CG 4.4Å; W480-R503 HydrophobicContact CE3-CB 3.88Å; W480-R503 HydrophobicContact CG-CB 4.26Å; W480-R503 HydrophobicContact CG-CG 4.11Å; V499-R503 VanDerWaalsContact O-CB 3.23Å; V499-R503 WeakPolarHBondContact O-CB 3.49Å; V499-R503 PolarHBondContact O-N 2.83Å; E500-R503 WeakPolarHBondContact O-CB 3.49Å; E500-R503 PolarHBondContact O-N 3.5Å; R503-A506 PolarHBondContact O-N 3.5Å; R503-L507 HydrophobicContact CG-CD1 3.82Å; R503-L507 HydrophobicContact CG-CG 4.47Å; R503-L507 WeakPolarHBondContact O-CB 3.47Å; R503-L507 WeakPolarHBondContact O-CG 3.29Å; R503-L507 PolarHBondContact O-N 2.84Å; R503-D523 IonicContact NH1-OD2 2.81Å; R503-L551 PolarHBondContact NH2-O 3.34Å |
| 504 | L | 82 | Confident | 78.6 | Confident | 55 Ų | 55 | 67 Ų | 67 | 29% | 0.288 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.4 | -50.3 | 175.9 | -72.4 | 170.5 | 0 | 0 | 0 | 111.2 | E500 A506 L507 D508 E517 L520 | E500-L504 WeakPolarHBondContact O-CG 3.5Å; E500-L504 PolarHBondContact O-N 2.75Å; L504-A506 VanDerWaalsContact C-N 3.29Å; L504-A506 PolarHBondContact O-N 2.76Å; L504-L507 CarbonylContact O-C 3.57Å; L504-L507 PolarHBondContact O-N 2.92Å; L504-D508 WeakPolarHBondContact O-CB 3.34Å; L504-D508 PolarHBondContact O-N 3.47Å; L504-E517 HydrophobicContact CD2-CG 4.23Å; L504-L520 HydrophobicContact CD2-CD1 3.65Å |
| 505 | Q | 83.9 | Confident | 77.3 | Confident | 122 Ų | 122 | 75.1 Ų | 75.1 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -57.6 | -37.1 | 177 | -73.4 | 174.4 | -24.9 | 0 | 0 | 113.8 | K501 R502 | K501-Q505 VanDerWaalsContact O-CG 3.3Å; K501-Q505 WeakPolarHBondContact O-CG 3.42Å; K501-Q505 PolarHBondContact O-N 2.76Å; R502-Q505 PolarHBondContact O-N 3.1Å |
| 506 | A | 81.2 | Confident | 76.5 | Confident | 39 Ų | 39 | 74.9 Ų | 74.9 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -73.1 | -28.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | W480 R502 R503 L504 | W480-A506 HydrophobicContact CZ2-CB 4.14Å; R502-A506 WeakPolarHBondContact O-CB 3.42Å; R502-A506 PolarHBondContact O-N 2.87Å; R503-A506 PolarHBondContact O-N 3.5Å; L504-A506 VanDerWaalsContact C-N 3.29Å; L504-A506 PolarHBondContact O-N 2.76Å |
| 507 | L | 74.3 | Confident | 75.8 | Confident | 8 Ų | 8 | 79.4 Ų | 79.4 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -84.5 | -29.3 | 177.7 | -68.3 | 173.3 | 0 | 0 | 0 | 113.2 | R477 R503 L504 S509 S510 F513 L551 | R477-L507 HydrophobicContact CG-CD2 3.8Å; R503-L507 HydrophobicContact CG-CD1 3.82Å; R503-L507 HydrophobicContact CG-CG 4.47Å; R503-L507 WeakPolarHBondContact O-CB 3.47Å; R503-L507 WeakPolarHBondContact O-CG 3.29Å; R503-L507 PolarHBondContact O-N 2.84Å; L504-L507 CarbonylContact O-C 3.57Å; L504-L507 PolarHBondContact O-N 2.92Å; L507-S509 PolarHBondContact O-N 3.1Å; L507-S509 VanDerWaalsContact O-N 3.1Å; L507-S510 WeakPolarHBondContact O-CA 3.37Å; L507-S510 WeakPolarHBondContact O-CB 3.38Å; L507-S510 PolarHBondContact O-N 3.07Å; L507-F513 HydrophobicContact CB-CB 4.3Å; L507-F513 HydrophobicContact CB-CD2 4.09Å; L507-F513 HydrophobicContact CB-CG 4.33Å; L507-F513 HydrophobicContact CD2-CD2 4.49Å; L507-L551 HydrophobicContact CD1-CD2 3.88Å; L507-L551 HydrophobicContact CD2-CD2 3.78Å |
| 508 | D | 66.9 | Low | 75.4 | Confident | 100 Ų | 100 | 79.7 Ų | 79.7 | 54% | 0.535 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.2 | -173.5 | -154.8 | 32 | 0 | 0 | 0 | 113.8 | L504 S510 | L504-D508 WeakPolarHBondContact O-CB 3.34Å; L504-D508 PolarHBondContact O-N 3.47Å; D508-S510 PolarHBondContact O-N 2.89Å; D508-S510 VanDerWaalsContact O-N 3.16Å |
| 509 | S | 58.6 | Low | 74.9 | Confident | 86 Ų | 86 | 73 Ų | 73 | 60% | 0.601 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -21.4 | 163.9 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | L507 | L507-S509 PolarHBondContact O-N 3.1Å; L507-S509 VanDerWaalsContact O-N 3.1Å |
| 510 | S | 58.7 | Low | 74.4 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 24% | 0.238 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -112.8 | 103.2 | 174.9 | -172.1 | 0 | 0 | 0 | 0 | 108.3 | L507 D508 E512 F513 | L507-S510 WeakPolarHBondContact O-CA 3.37Å; L507-S510 WeakPolarHBondContact O-CB 3.38Å; L507-S510 PolarHBondContact O-N 3.07Å; D508-S510 PolarHBondContact O-N 2.89Å; D508-S510 VanDerWaalsContact O-N 3.16Å; S510-E512 PolarHBondContact O-N 3.15Å; S510-F513 WeakPolarHBondContact O-CD2 3.36Å; S510-F513 PolarHBondContact O-N 2.86Å |
| 511 | K | 60.7 | Low | 74.3 | Confident | 196 Ų | 196 | 75 Ų | 75 | 85% | 0.852 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -4.9 | -171 | -65.2 | -178.4 | 178.3 | 178 | 0 | 116 | ||
| 512 | E | 62.1 | Low | 74.2 | Confident | 113 Ų | 113 | 68.8 Ų | 68.8 | 53% | 0.528 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -29 | -179.8 | -59.2 | -179.5 | 150 | 0 | 0 | 112.4 | S510 | S510-E512 PolarHBondContact O-N 3.15Š|
| 513 | F | 61.2 | Low | 73.7 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 1% | 0.013 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -91.5 | -17.4 | -166 | -58.6 | -63.5 | 0 | 0 | 0 | 116.3 | L507 S510 R515 L516 L546 L551 | L507-F513 HydrophobicContact CB-CB 4.3Å; L507-F513 HydrophobicContact CB-CD2 4.09Å; L507-F513 HydrophobicContact CB-CG 4.33Å; L507-F513 HydrophobicContact CD2-CD2 4.49Å; S510-F513 WeakPolarHBondContact O-CD2 3.36Å; S510-F513 PolarHBondContact O-N 2.86Å; F513-R515 PolarHBondContact O-N 3.32Å; F513-L516 HydrophobicContact CD1-CD1 4.08Å; F513-L516 HydrophobicContact CE1-CD1 4.43Å; F513-L516 PolarHBondContact O-N 3.2Å; F513-L546 HydrophobicContact CD1-CD2 4.3Å; F513-L546 HydrophobicContact CE1-CD2 4.47Å; F513-L551 HydrophobicContact CD1-CD1 3.71Å; F513-L551 HydrophobicContact CE1-CD1 3.11Å; F513-L551 HydrophobicContact CE2-CD1 4.44Å; F513-L551 HydrophobicContact CZ-CD1 3.56Å |
| 514 | S | 61.8 | Low | 73.7 | Confident | 69 Ų | 69 | 67.2 Ų | 67.2 | 48% | 0.483 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -59 | -20.5 | 177.9 | 170.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 515 | R | 66.7 | Low | 74 | Confident | 235 Ų | 235 | 71.1 Ų | 71.1 | 89% | 0.887 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -90.2 | -7.2 | 175 | -65.9 | -174.5 | 178.4 | -175 | -0 | 114.8 | F513 | F513-R515 PolarHBondContact O-N 3.32Š|
| 516 | L | 73.3 | Confident | 74.1 | Confident | 20 Ų | 20 | 67 Ų | 67 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | trans | -110.8 | 12 | -169.5 | -66.3 | 170.5 | 0 | 0 | 0 | 113.3 | F513 T518 A519 L520 L546 | F513-L516 HydrophobicContact CD1-CD1 4.08Å; F513-L516 HydrophobicContact CE1-CD1 4.43Å; F513-L516 PolarHBondContact O-N 3.2Å; L516-T518 PolarHBondContact O-N 3.18Å; L516-A519 HydrophobicContact CD2-CB 4.44Å; L516-A519 CarbonylContact O-C 3.58Å; L516-A519 WeakPolarHBondContact O-CA 3.46Å; L516-A519 WeakPolarHBondContact O-CB 3.2Å; L516-A519 PolarHBondContact O-N 3.12Å; L516-L520 WeakPolarHBondContact O-CG 3.34Å; L516-L520 PolarHBondContact O-N 2.84Å; L516-L546 HydrophobicContact CB-CD1 4.41Å; L516-L546 HydrophobicContact CB-CD2 4.14Å; L516-L546 HydrophobicContact CB-CG 4.43Å; L516-L546 HydrophobicContact CD1-CD2 3.76Å; L516-L546 HydrophobicContact CD1-CG 4.16Å; L516-L546 HydrophobicContact CG-CD2 4.49Å | ||
| 517 | E | 75.7 | Confident | 74.2 | Confident | 109 Ų | 109 | 71.1 Ų | 71.1 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -54 | -49.1 | -179.9 | -61.3 | -175.7 | 163.2 | 0 | 0 | 112.6 | L504 A519 L520 L521 | L504-E517 HydrophobicContact CD2-CG 4.23Å; E517-A519 PolarHBondContact O-N 3.06Å; E517-L520 PolarHBondContact O-N 3.33Å; E517-L521 PolarHBondContact O-N 3.05Å |
| 518 | T | 82.4 | Confident | 74.6 | Confident | 90 Ų | 90 | 75.9 Ų | 75.9 | 55% | 0.552 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.9 | -30.1 | 176.5 | -43.8 | 0 | 0 | 0 | 0 | 112.7 | L516 L521 L541 | L516-T518 PolarHBondContact O-N 3.18Å; T518-L521 VanDerWaalsContact O-CB 3.27Å; T518-L521 WeakPolarHBondContact O-CB 3.4Å; T518-L541 HydrophobicContact CG2-CD2 3.84Å |
| 519 | A | 82.6 | Confident | 75.5 | Confident | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.008 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -81.7 | -32.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L516 E517 L521 I522 L541 Y543 L546 | L516-A519 HydrophobicContact CD2-CB 4.44Å; L516-A519 CarbonylContact O-C 3.58Å; L516-A519 WeakPolarHBondContact O-CA 3.46Å; L516-A519 WeakPolarHBondContact O-CB 3.2Å; L516-A519 PolarHBondContact O-N 3.12Å; E517-A519 PolarHBondContact O-N 3.06Å; A519-L521 PolarHBondContact O-N 3.38Å; A519-I522 HydrophobicContact CB-CD1 4.41Å; A519-I522 VanDerWaalsContact O-CB 3.28Å; A519-I522 WeakPolarHBondContact O-CB 3.19Å; A519-I522 WeakPolarHBondContact O-CG1 3.38Å; A519-I522 PolarHBondContact O-N 3.41Å; A519-L541 HydrophobicContact CB-CB 4.27Å; A519-L541 VanDerWaalsContact CB-O 3.26Å; A519-L541 WeakPolarHBondContact CB-O 3.35Å; A519-Y543 VanDerWaalsContact O-CD2 3.27Å; A519-Y543 WeakPolarHBondContact O-CD2 3.42Å; A519-L546 HydrophobicContact CB-CD1 3.48Å; A519-L546 VanDerWaalsContact CB-CD1 3.48Å |
| 520 | L | 79.4 | Confident | 76.9 | Confident | 13 Ų | 13 | 78.8 Ų | 78.8 | 7% | 0.068 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65 | -29 | 170.2 | -70.3 | 167.7 | 0 | 0 | 0 | 111.8 | L504 L516 E517 I522 D523 L546 | L504-L520 HydrophobicContact CD2-CD1 3.65Å; L516-L520 WeakPolarHBondContact O-CG 3.34Å; L516-L520 PolarHBondContact O-N 2.84Å; E517-L520 PolarHBondContact O-N 3.33Å; L520-I522 PolarHBondContact O-N 2.72Å; L520-D523 PolarHBondContact O-N 3.03Å; L520-L546 HydrophobicContact CD2-CD1 3.9Å; L520-L546 HydrophobicContact CD2-CD2 3.92Å; L520-L546 HydrophobicContact CG-CD1 3.95Å; L520-L546 HydrophobicContact CG-CD2 4.31Å |
| 521 | L | 85.8 | Confident | 78.3 | Confident | 65 Ų | 65 | 80.1 Ų | 80.1 | 34% | 0.34 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.2 | 174.3 | -161 | 68.6 | 0 | 0 | 0 | 113.4 | E517 T518 A519 D523 R524 Y525 | E517-L521 PolarHBondContact O-N 3.05Å; T518-L521 VanDerWaalsContact O-CB 3.27Å; T518-L521 WeakPolarHBondContact O-CB 3.4Å; A519-L521 PolarHBondContact O-N 3.38Å; L521-D523 VanDerWaalsContact C-N 3.31Å; L521-D523 PolarHBondContact O-N 3.21Å; L521-R524 VanDerWaalsContact CD1-CZ 3.44Å; L521-R524 WeakPolarHBondContact O-CB 3.38Å; L521-R524 PolarHBondContact O-N 3.3Å; L521-Y525 HydrophobicContact CG-CE2 4.21Å |
| 522 | I | 86.2 | Confident | 79.8 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.4 | -36.5 | -178.6 | -61.2 | 168.1 | 0 | 0 | 0 | 110.7 | A519 L520 R524 Y525 R526 L531 P532 L538 L541 Y543 | A519-I522 HydrophobicContact CB-CD1 4.41Å; A519-I522 VanDerWaalsContact O-CB 3.28Å; A519-I522 WeakPolarHBondContact O-CB 3.19Å; A519-I522 WeakPolarHBondContact O-CG1 3.38Å; A519-I522 PolarHBondContact O-N 3.41Å; L520-I522 PolarHBondContact O-N 2.72Å; I522-R524 PolarHBondContact O-N 2.64Å; I522-Y525 PolarHBondContact O-N 3.48Å; I522-R526 WeakPolarHBondContact O-CB 3.07Å; I522-R526 PolarHBondContact O-N 3.37Å; I522-L531 HydrophobicContact CG2-CD2 3.86Å; I522-P532 HydrophobicContact CG2-CG 4.06Å; I522-L538 HydrophobicContact CD1-CD2 3.77Å; I522-L538 HydrophobicContact CG2-CD2 4.09Å; I522-L541 HydrophobicContact CD1-CD1 3.98Å; I522-Y543 HydrophobicContact CB-CD2 3.84Å; I522-Y543 HydrophobicContact CB-CE2 3.74Å; I522-Y543 HydrophobicContact CD1-CD2 3.68Å; I522-Y543 HydrophobicContact CD1-CE2 4.45Å; I522-Y543 HydrophobicContact CD1-CG 3.81Å; I522-Y543 HydrophobicContact CG1-CD2 4.34Å; I522-Y543 HydrophobicContact CG2-CD1 4.41Å; I522-Y543 HydrophobicContact CG2-CD2 3.98Å; I522-Y543 HydrophobicContact CG2-CE1 4.17Å; I522-Y543 HydrophobicContact CG2-CE2 3.73Å; I522-Y543 HydrophobicContact CG2-CG 4.31Å |
| 523 | D | 79.2 | Confident | 81.1 | Confident | 11 Ų | 11 | 70.5 Ų | 70.5 | 6% | 0.059 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.2 | -26.7 | 177.2 | -88.3 | -35.9 | 0 | 0 | 0 | 113.1 | L484 R503 L520 L521 Y525 R526 Y543 A552 G553 | L484-D523 HydrophobicContact CD2-CB 4.37Å; R503-D523 IonicContact NH1-OD2 2.81Å; L520-D523 PolarHBondContact O-N 3.03Å; L521-D523 VanDerWaalsContact C-N 3.31Å; L521-D523 PolarHBondContact O-N 3.21Å; D523-Y525 VanDerWaalsContact C-N 3.33Å; D523-R526 IonicContact OD1-CZ 3.09Å; D523-R526 IonicContact OD1-NE 3.26Å; D523-R526 PolarHBondContact OD1-NE 2.96Å; D523-R526 IonicContact OD1-NH2 2.75Å; D523-R526 PolarHBondContact OD1-NH2 3.38Å; D523-R526 VanDerWaalsContact OD1-NH2 3.12Å; D523-Y543 PolarHBondContact OD1-OH 3.16Å; D523-Y543 VanDerWaalsContact OD1-OH 3.04Å; D523-A552 WeakPolarHBondContact OD2-CA 3.44Å; D523-G553 PolarHBondContact OD1-N 2.6Å |
| 524 | R | 85.7 | Confident | 82.5 | Confident | 37 Ų | 37 | 73.9 Ų | 73.9 | 14% | 0.14 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 178.5 | -179.7 | 167.4 | 68 | -149.4 | 18 | 112 | S488 I496 E500 L521 I522 | S488-R524 PolarHBondContact OG-O 3.16Å; I496-R524 HydrophobicContact CG2-CG 4.2Å; E500-R524 VanDerWaalsContact CD-NH1 3.34Å; E500-R524 WeakPolarHBondContact OE1-CD 3.42Å; E500-R524 IonicContact OE1-CZ 2.72Å; E500-R524 IonicContact OE1-NE 3.8Å; E500-R524 IonicContact OE1-NH1 3.47Å; E500-R524 PolarHBondContact OE1-NH1 3.27Å; E500-R524 IonicContact OE2-NH1 3.89Å; E500-R524 PolarHBondContact OE2-NH1 2.97Å; L521-R524 VanDerWaalsContact CD1-CZ 3.44Å; L521-R524 WeakPolarHBondContact O-CB 3.38Å; L521-R524 PolarHBondContact O-N 3.3Å; I522-R524 PolarHBondContact O-N 2.64Å |
| 525 | Y | 87.9 | Confident | 83.6 | Confident | 137 Ų | 137 | 73.7 Ų | 73.7 | 54% | 0.537 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -99.9 | -11.1 | -174.9 | -55.6 | -63 | 0 | 0 | 0 | 113.8 | L521 I522 D523 | L521-Y525 HydrophobicContact CG-CE2 4.21Å; I522-Y525 PolarHBondContact O-N 3.48Å; D523-Y525 VanDerWaalsContact C-N 3.33Å |
| 526 | R | 85.2 | Confident | 84.6 | Confident | 35 Ų | 35 | 66.4 Ų | 66.4 | 13% | 0.132 | 35% | 0.348 | C | S | . | . | trans | -65.2 | 131.8 | 178.8 | 179.8 | 172.9 | 64.6 | 75.7 | 8.9 | 111.1 | I522 D523 L530 L531 Y543 G553 | I522-R526 WeakPolarHBondContact O-CB 3.07Å; I522-R526 PolarHBondContact O-N 3.37Å; D523-R526 IonicContact OD1-CZ 3.09Å; D523-R526 IonicContact OD1-NE 3.26Å; D523-R526 PolarHBondContact OD1-NE 2.96Å; D523-R526 IonicContact OD1-NH2 2.75Å; D523-R526 PolarHBondContact OD1-NH2 3.38Å; D523-R526 VanDerWaalsContact OD1-NH2 3.12Å; R526-L530 WeakPolarHBondContact CA-O 3.28Å; R526-L531 HydrophobicContact CB-CD2 4.05Å; R526-L531 VanDerWaalsContact CD-CD2 3.41Å; R526-L531 HydrophobicContact CG-CD2 3.63Å; R526-Y543 VanDerWaalsContact CD-OH 3.24Å; R526-Y543 WeakPolarHBondContact CD-OH 3.47Å; R526-Y543 PolarHBondContact NE-OH 3.1Å; R526-G553 PolarHBondContact NH1-O 3.29Å; R526-G553 VanDerWaalsContact NH2-CA 3.3Å; R526-G553 PolarHBondContact NH2-O 2.94Å | ||
| 527 | F | 84.2 | Confident | 85.4 | Confident | 126 Ų | 126 | 69.8 Ų | 69.8 | 55% | 0.553 | 36% | 0.363 | S | S | * | . | B | Isolated β-bridge | trans | -131.2 | 118.1 | 172.2 | -179.3 | -98.7 | 0 | 0 | 0 | 109.4 | D529 L530 | F527-D529 PolarHBondContact O-N 3.13Å; F527-D529 VanDerWaalsContact O-N 3.15Å; F527-L530 PolarHBondContact N-O 3.05Å; F527-L530 WeakPolarHBondContact O-CA 3.36Å; F527-L530 VanDerWaalsContact O-CB 3.29Å; F527-L530 WeakPolarHBondContact O-CB 3.45Å; F527-L530 PolarHBondContact O-N 2.88Å |
| 528 | L | 82.5 | Confident | 86 | Confident | 109 Ų | 109 | 65 Ų | 65 | 57% | 0.571 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | -115.2 | -171.1 | -56.6 | 175 | 0 | 0 | 0 | 111 | ||
| 529 | D | 85.4 | Confident | 86.1 | Confident | 133 Ų | 133 | 65.7 Ų | 65.7 | 71% | 0.711 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -9 | 175.7 | 61.7 | -42.7 | 0 | 0 | 0 | 113.8 | F527 | F527-D529 PolarHBondContact O-N 3.13Å; F527-D529 VanDerWaalsContact O-N 3.15Å |
| 530 | L | 88.2 | Confident | 86.3 | Confident | 113 Ų | 113 | 70.4 Ų | 70.4 | 59% | 0.592 | 37% | 0.366 | S | S | * | . | B | Isolated β-bridge | trans | -74.6 | 126.4 | 177.8 | -55 | 179.9 | 0 | 0 | 0 | 111.1 | R526 F527 | R526-L530 WeakPolarHBondContact CA-O 3.28Å; F527-L530 PolarHBondContact N-O 3.05Å; F527-L530 WeakPolarHBondContact O-CA 3.36Å; F527-L530 VanDerWaalsContact O-CB 3.29Å; F527-L530 WeakPolarHBondContact O-CB 3.45Å; F527-L530 PolarHBondContact O-N 2.88Å |
| 531 | L | 89.2 | Confident | 86.6 | Confident | 63 Ų | 63 | 72.5 Ų | 72.5 | 33% | 0.33 | 38% | 0.377 | S | S | . | . | trans | -122.5 | 142 | -179.3 | -64.7 | 169.6 | 0 | 0 | 0 | 110.1 | I522 R526 C533 L538 Y543 | I522-L531 HydrophobicContact CG2-CD2 3.86Å; R526-L531 HydrophobicContact CB-CD2 4.05Å; R526-L531 VanDerWaalsContact CD-CD2 3.41Å; R526-L531 HydrophobicContact CG-CD2 3.63Å; L531-C533 PolarHBondContact O-N 3.11Å; L531-C533 VanDerWaalsContact O-N 3.1Å; L531-L538 HydrophobicContact CB-CD1 4.07Å; L531-L538 HydrophobicContact CB-CD2 4.45Å; L531-L538 HydrophobicContact CD1-CD1 3.41Å; L531-L538 VanDerWaalsContact CD1-CD1 3.41Å; L531-L538 HydrophobicContact CD1-CD2 4.3Å; L531-L538 HydrophobicContact CG-CD1 4.33Å; L531-Y543 HydrophobicContact CD1-CE1 4.31Å; L531-Y543 HydrophobicContact CD2-CE1 3.87Å | ||
| 532 | P | 90.5 | Very high | 86.4 | Confident | 70 Ų | 70 | 69.8 Ų | 69.8 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -73.1 | 4.9 | -178.3 | 32.9 | -40.6 | 0 | 0 | 0 | 114.6 | I522 | I522-P532 HydrophobicContact CG2-CG 4.06Š|
| 533 | C | 89.6 | Confident | 86.2 | Confident | 37 Ų | 37 | 70.1 Ų | 70.1 | 25% | 0.25 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -141.4 | 151.7 | -175.4 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | L531 E537 L538 | L531-C533 PolarHBondContact O-N 3.11Å; L531-C533 VanDerWaalsContact O-N 3.1Å; C533-E537 HydrophobicContact CB-CB 3.89Å; C533-L538 HydrophobicContact CB-CD2 3.96Å; C533-L538 HydrophobicContact CB-CG 4.02Å; C533-L538 WeakPolarHBondContact O-CD1 3.42Å |
| 534 | T | 90.1 | Very high | 85.9 | Confident | 73 Ų | 73 | 74.4 Ų | 74.4 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | trans | -65.8 | 157.7 | 172.8 | 63.2 | 0 | 0 | 0 | 0 | 111.8 | S536 E537 L538 | T534-S536 PolarHBondContact O-N 2.91Å; T534-S536 PolarHBondContact OG1-OG 3.09Å; T534-E537 WeakPolarHBondContact CB-OE2 3.47Å; T534-E537 WeakPolarHBondContact CG2-OE2 3.31Å; T534-E537 PolarHBondContact N-OE2 3.12Å; T534-E537 PolarHBondContact O-N 3.34Å; T534-E537 VanDerWaalsContact OG1-CD 3.23Å; T534-E537 VanDerWaalsContact OG1-CG 3.3Å; T534-E537 WeakPolarHBondContact OG1-CG 3.28Å; T534-E537 PolarHBondContact OG1-N 3.47Å; T534-E537 PolarHBondContact OG1-OE2 3.32Å; T534-L538 VanDerWaalsContact O-CG 3.26Å; T534-L538 WeakPolarHBondContact O-CG 3.17Å; T534-L538 PolarHBondContact O-N 3.13Å | ||
| 535 | D | 85.6 | Confident | 85.1 | Confident | 65 Ų | 65 | 77.7 Ų | 77.7 | 35% | 0.348 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.3 | -30.6 | 179.2 | -171.1 | 59.5 | 0 | 0 | 0 | 113.6 | R539 R544 | D535-R539 WeakPolarHBondContact O-CD 3.49Å; D535-R539 VanDerWaalsContact O-CG 3.23Å; D535-R539 WeakPolarHBondContact O-CG 3.26Å; D535-R539 PolarHBondContact O-N 3.01Å; D535-R539 VanDerWaalsContact O-N 3.09Å; D535-R539 IonicContact OD1-NE 3.7Å; D535-R539 IonicContact OD2-CZ 2.87Å; D535-R539 IonicContact OD2-NE 2.68Å; D535-R539 PolarHBondContact OD2-NE 2.71Å; D535-R539 IonicContact OD2-NH2 2.74Å; D535-R539 PolarHBondContact OD2-NH2 3.23Å; D535-R544 VanDerWaalsContact CG-NH2 3.31Å; D535-R544 IonicContact OD1-CZ 2.68Å; D535-R544 IonicContact OD1-NE 3.34Å; D535-R544 PolarHBondContact OD1-NE 2.91Å; D535-R544 IonicContact OD1-NH2 3.06Å; D535-R544 PolarHBondContact OD1-NH2 3.48Å; D535-R544 IonicContact OD2-CZ 3.43Å; D535-R544 IonicContact OD2-NE 2.92Å; D535-R544 IonicContact OD2-NH2 3.35Å; D535-R544 PolarHBondContact OD2-NH2 3.04Å |
| 536 | S | 88 | Confident | 84.2 | Confident | 82 Ų | 82 | 71.1 Ų | 71.1 | 57% | 0.573 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.8 | -46.7 | 170.6 | 26.9 | 0 | 0 | 0 | 0 | 112.7 | T534 R539 S540 | T534-S536 PolarHBondContact O-N 2.91Å; T534-S536 PolarHBondContact OG1-OG 3.09Å; S536-R539 PolarHBondContact O-N 2.92Å; S536-S540 PolarHBondContact O-N 2.9Å; S536-S540 VanDerWaalsContact O-N 3.11Å |
| 537 | E | 91 | Very high | 83.3 | Confident | 92 Ų | 92 | 72.3 Ų | 72.3 | 43% | 0.43 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.4 | -42 | 179.6 | -69.5 | 162.1 | 137.1 | 0 | 0 | 111 | C533 T534 R539 S540 L541 | C533-E537 HydrophobicContact CB-CB 3.89Å; T534-E537 WeakPolarHBondContact CB-OE2 3.47Å; T534-E537 WeakPolarHBondContact CG2-OE2 3.31Å; T534-E537 PolarHBondContact N-OE2 3.12Å; T534-E537 PolarHBondContact O-N 3.34Å; T534-E537 VanDerWaalsContact OG1-CD 3.23Å; T534-E537 VanDerWaalsContact OG1-CG 3.3Å; T534-E537 WeakPolarHBondContact OG1-CG 3.28Å; T534-E537 PolarHBondContact OG1-N 3.47Å; T534-E537 PolarHBondContact OG1-OE2 3.32Å; E537-R539 VanDerWaalsContact C-N 3.25Å; E537-R539 PolarHBondContact O-N 2.74Å; E537-S540 WeakPolarHBondContact CA-OG 3.43Å; E537-S540 PolarHBondContact O-N 3.16Å; E537-S540 VanDerWaalsContact O-N 3.09Å; E537-S540 PolarHBondContact O-OG 3.31Å; E537-L541 WeakPolarHBondContact O-CB 3.43Å; E537-L541 WeakPolarHBondContact O-CG 3.24Å; E537-L541 PolarHBondContact O-N 3.04Å |
| 538 | L | 86.8 | Confident | 82.3 | Confident | 8 Ų | 8 | 75.8 Ų | 75.8 | 4% | 0.042 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.5 | -35.2 | 175.5 | -66.9 | 168.8 | 0 | 0 | 0 | 112.6 | I522 L531 C533 T534 G542 Y543 | I522-L538 HydrophobicContact CD1-CD2 3.77Å; I522-L538 HydrophobicContact CG2-CD2 4.09Å; L531-L538 HydrophobicContact CB-CD1 4.07Å; L531-L538 HydrophobicContact CB-CD2 4.45Å; L531-L538 HydrophobicContact CD1-CD1 3.41Å; L531-L538 VanDerWaalsContact CD1-CD1 3.41Å; L531-L538 HydrophobicContact CD1-CD2 4.3Å; L531-L538 HydrophobicContact CG-CD1 4.33Å; C533-L538 HydrophobicContact CB-CD2 3.96Å; C533-L538 HydrophobicContact CB-CG 4.02Å; C533-L538 WeakPolarHBondContact O-CD1 3.42Å; T534-L538 VanDerWaalsContact O-CG 3.26Å; T534-L538 WeakPolarHBondContact O-CG 3.17Å; T534-L538 PolarHBondContact O-N 3.13Å; L538-G542 PolarHBondContact O-N 3.32Å; L538-Y543 HydrophobicContact CD2-CD1 3.83Å; L538-Y543 HydrophobicContact CD2-CG 4.06Å; L538-Y543 WeakPolarHBondContact O-CB 3.48Å; L538-Y543 PolarHBondContact O-N 3.4Å |
| 539 | R | 85.3 | Confident | 81.2 | Confident | 105 Ų | 105 | 74.7 Ų | 74.7 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.1 | -48.8 | 171.4 | -72.3 | 166.3 | -164.1 | -91.4 | 1.4 | 111.6 | D535 S536 E537 L541 G542 R544 S584 | D535-R539 WeakPolarHBondContact O-CD 3.49Å; D535-R539 VanDerWaalsContact O-CG 3.23Å; D535-R539 WeakPolarHBondContact O-CG 3.26Å; D535-R539 PolarHBondContact O-N 3.01Å; D535-R539 VanDerWaalsContact O-N 3.09Å; D535-R539 IonicContact OD1-NE 3.7Å; D535-R539 IonicContact OD2-CZ 2.87Å; D535-R539 IonicContact OD2-NE 2.68Å; D535-R539 PolarHBondContact OD2-NE 2.71Å; D535-R539 IonicContact OD2-NH2 2.74Å; D535-R539 PolarHBondContact OD2-NH2 3.23Å; S536-R539 PolarHBondContact O-N 2.92Å; E537-R539 VanDerWaalsContact C-N 3.25Å; E537-R539 PolarHBondContact O-N 2.74Å; R539-L541 VanDerWaalsContact C-N 3.28Å; R539-L541 PolarHBondContact O-N 3.49Å; R539-G542 PolarHBondContact O-N 2.97Å; R539-G542 VanDerWaalsContact O-N 3.08Å; R539-R544 VanDerWaalsContact NH2-CZ 3.31Å; R539-S584 PolarHBondContact NH1-OG 3.27Å; R539-S584 PolarHBondContact NH2-OG 2.77Å |
| 540 | S | 86.1 | Confident | 79.9 | Confident | 99 Ų | 99 | 73.3 Ų | 73.3 | 69% | 0.692 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.9 | -30.1 | -179 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | S536 E537 G542 | S536-S540 PolarHBondContact O-N 2.9Å; S536-S540 VanDerWaalsContact O-N 3.11Å; E537-S540 WeakPolarHBondContact CA-OG 3.43Å; E537-S540 PolarHBondContact O-N 3.16Å; E537-S540 VanDerWaalsContact O-N 3.09Å; E537-S540 PolarHBondContact O-OG 3.31Å; S540-G542 VanDerWaalsContact C-N 3.32Å |
| 541 | L | 85.1 | Confident | 78.4 | Confident | 57 Ų | 57 | 67.9 Ų | 67.9 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -13 | 175.4 | -68 | 172 | 0 | 0 | 0 | 112.8 | T518 A519 I522 E537 R539 | T518-L541 HydrophobicContact CG2-CD2 3.84Å; A519-L541 HydrophobicContact CB-CB 4.27Å; A519-L541 VanDerWaalsContact CB-O 3.26Å; A519-L541 WeakPolarHBondContact CB-O 3.35Å; I522-L541 HydrophobicContact CD1-CD1 3.98Å; E537-L541 WeakPolarHBondContact O-CB 3.43Å; E537-L541 WeakPolarHBondContact O-CG 3.24Å; E537-L541 PolarHBondContact O-N 3.04Å; R539-L541 VanDerWaalsContact C-N 3.28Å; R539-L541 PolarHBondContact O-N 3.49Å |
| 542 | G | 82.3 | Confident | 76.6 | Confident | 9 Ų | 9 | 65 Ų | 65 | 9% | 0.093 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 13.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L538 R539 S540 R544 E545 L546 | L538-G542 PolarHBondContact O-N 3.32Å; R539-G542 PolarHBondContact O-N 2.97Å; R539-G542 VanDerWaalsContact O-N 3.08Å; S540-G542 VanDerWaalsContact C-N 3.32Å; G542-R544 VanDerWaalsContact C-N 3.29Å; G542-R544 PolarHBondContact O-N 3.06Å; G542-E545 WeakPolarHBondContact O-CA 3.5Å; G542-E545 WeakPolarHBondContact O-CB 3.44Å; G542-E545 PolarHBondContact O-N 3.4Å; G542-L546 PolarHBondContact O-N 3.29Å |
| 543 | Y | 81.9 | Confident | 74.7 | Confident | 11 Ų | 11 | 62 Ų | 62 | 4% | 0.043 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.9 | -33.3 | -178.4 | -171.1 | -107 | 0 | 0 | 0 | 113.3 | A519 I522 D523 R526 L531 L538 E545 L546 T547 A552 | A519-Y543 VanDerWaalsContact O-CD2 3.27Å; A519-Y543 WeakPolarHBondContact O-CD2 3.42Å; I522-Y543 HydrophobicContact CB-CD2 3.84Å; I522-Y543 HydrophobicContact CB-CE2 3.74Å; I522-Y543 HydrophobicContact CD1-CD2 3.68Å; I522-Y543 HydrophobicContact CD1-CE2 4.45Å; I522-Y543 HydrophobicContact CD1-CG 3.81Å; I522-Y543 HydrophobicContact CG1-CD2 4.34Å; I522-Y543 HydrophobicContact CG2-CD1 4.41Å; I522-Y543 HydrophobicContact CG2-CD2 3.98Å; I522-Y543 HydrophobicContact CG2-CE1 4.17Å; I522-Y543 HydrophobicContact CG2-CE2 3.73Å; I522-Y543 HydrophobicContact CG2-CG 4.31Å; D523-Y543 PolarHBondContact OD1-OH 3.16Å; D523-Y543 VanDerWaalsContact OD1-OH 3.04Å; R526-Y543 VanDerWaalsContact CD-OH 3.24Å; R526-Y543 WeakPolarHBondContact CD-OH 3.47Å; R526-Y543 PolarHBondContact NE-OH 3.1Å; L531-Y543 HydrophobicContact CD1-CE1 4.31Å; L531-Y543 HydrophobicContact CD2-CE1 3.87Å; L538-Y543 HydrophobicContact CD2-CD1 3.83Å; L538-Y543 HydrophobicContact CD2-CG 4.06Å; L538-Y543 WeakPolarHBondContact O-CB 3.48Å; L538-Y543 PolarHBondContact O-N 3.4Å; Y543-E545 PolarHBondContact O-N 2.81Å; Y543-L546 HydrophobicContact CD2-CD1 4.18Å; Y543-L546 PolarHBondContact O-N 2.59Å; Y543-T547 PolarHBondContact O-N 2.88Å; Y543-T547 PolarHBondContact O-OG1 3.05Å; Y543-A552 HydrophobicContact CE1-CB 4.39Å; Y543-A552 HydrophobicContact CE2-CB 3.96Å; Y543-A552 WeakPolarHBondContact OH-CB 3.34Å |
| 544 | R | 72.8 | Confident | 72.6 | Confident | 101 Ų | 101 | 64.3 Ų | 64.3 | 38% | 0.381 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.5 | -26.9 | 172.8 | -73.9 | -168 | 171.2 | -127.7 | -1.9 | 112.5 | D535 R539 G542 R548 S584 | D535-R544 VanDerWaalsContact CG-NH2 3.31Å; D535-R544 IonicContact OD1-CZ 2.68Å; D535-R544 IonicContact OD1-NE 3.34Å; D535-R544 PolarHBondContact OD1-NE 2.91Å; D535-R544 IonicContact OD1-NH2 3.06Å; D535-R544 PolarHBondContact OD1-NH2 3.48Å; D535-R544 IonicContact OD2-CZ 3.43Å; D535-R544 IonicContact OD2-NE 2.92Å; D535-R544 IonicContact OD2-NH2 3.35Å; D535-R544 PolarHBondContact OD2-NH2 3.04Å; R539-R544 VanDerWaalsContact NH2-CZ 3.31Å; G542-R544 VanDerWaalsContact C-N 3.29Å; G542-R544 PolarHBondContact O-N 3.06Å; R544-R548 PolarHBondContact O-N 2.86Å; R544-S584 PolarHBondContact NH1-OG 2.75Å |
| 545 | E | 68.8 | Low | 70 | Confident | 106 Ų | 106 | 63.4 Ų | 63.4 | 50% | 0.495 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -76.6 | -43.6 | 174.5 | -55.8 | -172.3 | 156.8 | 0 | 0 | 111 | G542 Y543 T547 R548 F549 | G542-E545 WeakPolarHBondContact O-CA 3.5Å; G542-E545 WeakPolarHBondContact O-CB 3.44Å; G542-E545 PolarHBondContact O-N 3.4Å; Y543-E545 PolarHBondContact O-N 2.81Å; E545-T547 PolarHBondContact O-N 3.15Å; E545-R548 WeakPolarHBondContact O-CA 3.45Å; E545-R548 WeakPolarHBondContact O-CB 3.35Å; E545-R548 PolarHBondContact O-N 2.88Å; E545-F549 WeakPolarHBondContact O-CD2 3.5Å; E545-F549 PolarHBondContact O-N 3.03Å |
| 546 | L | 69.7 | Low | 67.7 | Low | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -54.8 | -37 | 170.8 | -73.5 | 175.4 | 0 | 0 | 0 | 112.8 | F513 L516 A519 L520 G542 Y543 F549 Q550 L551 A552 | F513-L546 HydrophobicContact CD1-CD2 4.3Å; F513-L546 HydrophobicContact CE1-CD2 4.47Å; L516-L546 HydrophobicContact CB-CD1 4.41Å; L516-L546 HydrophobicContact CB-CD2 4.14Å; L516-L546 HydrophobicContact CB-CG 4.43Å; L516-L546 HydrophobicContact CD1-CD2 3.76Å; L516-L546 HydrophobicContact CD1-CG 4.16Å; L516-L546 HydrophobicContact CG-CD2 4.49Å; A519-L546 HydrophobicContact CB-CD1 3.48Å; A519-L546 VanDerWaalsContact CB-CD1 3.48Å; L520-L546 HydrophobicContact CD2-CD1 3.9Å; L520-L546 HydrophobicContact CD2-CD2 3.92Å; L520-L546 HydrophobicContact CG-CD1 3.95Å; L520-L546 HydrophobicContact CG-CD2 4.31Å; G542-L546 PolarHBondContact O-N 3.29Å; Y543-L546 HydrophobicContact CD2-CD1 4.18Å; Y543-L546 PolarHBondContact O-N 2.59Å; L546-F549 CarbonylContact O-C 3.6Å; L546-F549 PolarHBondContact O-N 3.01Å; L546-Q550 PolarHBondContact O-N 2.81Å; L546-L551 HydrophobicContact CB-CB 4.41Å; L546-L551 HydrophobicContact CD2-CB 3.99Å; L546-L551 HydrophobicContact CD2-CD1 3.94Å; L546-L551 PolarHBondContact O-N 3.31Å; L546-A552 PolarHBondContact O-N 3.43Å |
| 547 | T | 65.9 | Low | 64.9 | Low | 60 Ų | 60 | 66.1 Ų | 66.1 | 37% | 0.368 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 176 | -50 | 0 | 0 | 0 | 0 | 111.7 | Y543 E545 F549 Q550 A552 | Y543-T547 PolarHBondContact O-N 2.88Å; Y543-T547 PolarHBondContact O-OG1 3.05Å; E545-T547 PolarHBondContact O-N 3.15Å; T547-F549 VanDerWaalsContact C-N 3.33Å; T547-F549 PolarHBondContact O-N 3.18Å; T547-Q550 PolarHBondContact O-N 3.09Å; T547-A552 HydrophobicContact CG2-CB 4.49Å |
| 548 | R | 62.8 | Low | 62.5 | Low | 199 Ų | 199 | 65.9 Ų | 65.9 | 75% | 0.751 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.2 | -36.6 | 174 | -173.5 | -174.5 | -71.2 | 155.2 | -3.6 | 112 | R544 E545 Q550 | R544-R548 PolarHBondContact O-N 2.86Å; E545-R548 WeakPolarHBondContact O-CA 3.45Å; E545-R548 WeakPolarHBondContact O-CB 3.35Å; E545-R548 PolarHBondContact O-N 2.88Å; R548-Q550 PolarHBondContact O-N 2.99Å |
| 549 | F | 59.3 | Low | 60.1 | Low | 86 Ų | 86 | 70.3 Ų | 70.3 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 10.5 | 176 | -66.7 | -63.9 | 0 | 0 | 0 | 114.6 | E545 L546 T547 L551 | E545-F549 WeakPolarHBondContact O-CD2 3.5Å; E545-F549 PolarHBondContact O-N 3.03Å; L546-F549 CarbonylContact O-C 3.6Å; L546-F549 PolarHBondContact O-N 3.01Å; T547-F549 VanDerWaalsContact C-N 3.33Å; T547-F549 PolarHBondContact O-N 3.18Å; F549-L551 HydrophobicContact CB-CD1 3.9Å; F549-L551 HydrophobicContact CB-CG 4.41Å; F549-L551 PolarHBondContact O-N 3.3Å; F549-L551 VanDerWaalsContact O-N 3.09Å |
| 550 | Q | 59.2 | Low | 57.5 | Low | 103 Ų | 103 | 72.1 Ų | 72.1 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 24.2 | -177.8 | -51.2 | -178.3 | -18.1 | 0 | 0 | 114.1 | L478 L546 T547 R548 I554 | L478-Q550 HydrophobicContact CD2-CB 3.74Å; L546-Q550 PolarHBondContact O-N 2.81Å; T547-Q550 PolarHBondContact O-N 3.09Å; R548-Q550 PolarHBondContact O-N 2.99Å; Q550-I554 HydrophobicContact CG-CD1 4.41Å |
| 551 | L | 55.6 | Low | 55.2 | Low | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | trans | -89.2 | -34.5 | 178.3 | -80.8 | 159.2 | 0 | 0 | 0 | 111.7 | R477 A481 R503 L507 F513 L546 F549 | R477-L551 HydrophobicContact CB-CD2 3.75Å; R477-L551 HydrophobicContact CB-CG 4.37Å; R477-L551 HydrophobicContact CG-CD2 3.95Å; A481-L551 WeakPolarHBondContact CB-O 3.5Å; R503-L551 PolarHBondContact NH2-O 3.34Å; L507-L551 HydrophobicContact CD1-CD2 3.88Å; L507-L551 HydrophobicContact CD2-CD2 3.78Å; F513-L551 HydrophobicContact CD1-CD1 3.71Å; F513-L551 HydrophobicContact CE1-CD1 3.11Å; F513-L551 HydrophobicContact CE2-CD1 4.44Å; F513-L551 HydrophobicContact CZ-CD1 3.56Å; L546-L551 HydrophobicContact CB-CB 4.41Å; L546-L551 HydrophobicContact CD2-CB 3.99Å; L546-L551 HydrophobicContact CD2-CD1 3.94Å; L546-L551 PolarHBondContact O-N 3.31Å; F549-L551 HydrophobicContact CB-CD1 3.9Å; F549-L551 HydrophobicContact CB-CG 4.41Å; F549-L551 PolarHBondContact O-N 3.3Å; F549-L551 VanDerWaalsContact O-N 3.09Å | ||
| 552 | A | 52.8 | Low | 52.8 | Low | 3 Ų | 3 | 69.8 Ų | 69.8 | 3% | 0.025 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -67.9 | 132.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | D523 Y543 L546 T547 I554 | D523-A552 WeakPolarHBondContact OD2-CA 3.44Å; Y543-A552 HydrophobicContact CE1-CB 4.39Å; Y543-A552 HydrophobicContact CE2-CB 3.96Å; Y543-A552 WeakPolarHBondContact OH-CB 3.34Å; L546-A552 PolarHBondContact O-N 3.43Å; T547-A552 HydrophobicContact CG2-CB 4.49Å; A552-I554 PolarHBondContact O-N 3.45Å |
| 553 | G | 49.1 | Very low | 50.3 | Low | 7 Ų | 7 | 72.8 Ų | 72.8 | 7% | 0.072 | 37% | 0.368 | C | S | . | . | trans | -65 | 106.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | D523 R526 G555 | D523-G553 PolarHBondContact OD1-N 2.6Å; R526-G553 PolarHBondContact NH1-O 3.29Å; R526-G553 VanDerWaalsContact NH2-CA 3.3Å; R526-G553 PolarHBondContact NH2-O 2.94Å; G553-G555 PolarHBondContact O-N 2.98Å | ||
| 554 | I | 46.1 | Very low | 47.8 | Very low | 84 Ų | 84 | 73.9 Ų | 73.9 | 43% | 0.431 | 38% | 0.383 | S | S | . | . | trans | -61 | 118.9 | -174.9 | -60.3 | 177 | 0 | 0 | 0 | 108.9 | Q550 A552 K556 | Q550-I554 HydrophobicContact CG-CD1 4.41Å; A552-I554 PolarHBondContact O-N 3.45Å; I554-K556 HydrophobicContact CG2-CB 4.05Å; I554-K556 HydrophobicContact CG2-CG 4.02Å; I554-K556 PolarHBondContact O-N 2.82Å | ||
| 555 | G | 35.7 | Very low | 46.2 | Very low | 55 Ų | 55 | 70.5 Ų | 70.5 | 57% | 0.567 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -65.4 | 6.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G553 G557 | G553-G555 PolarHBondContact O-N 2.98Å; G555-G557 PolarHBondContact O-N 3.21Å |
| 556 | K | 36.6 | Very low | 44.6 | Very low | 173 Ų | 173 | 70.7 Ų | 70.7 | 75% | 0.752 | 38% | 0.377 | S | S | * | . | trans | -69.7 | 88.9 | 158.9 | -66.1 | -168.9 | 175.8 | -166.1 | 0 | 107.7 | I554 Y558 | I554-K556 HydrophobicContact CG2-CB 4.05Å; I554-K556 HydrophobicContact CG2-CG 4.02Å; I554-K556 PolarHBondContact O-N 2.82Å; K556-Y558 PolarHBondContact O-N 3.47Å | ||
| 557 | G | 30.9 | Very low | 42.6 | Very low | 31 Ų | 31 | 74.7 Ų | 74.7 | 32% | 0.32 | 41% | 0.405 | S | S | . | . | trans | -52.3 | 139.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | G555 D559 | G555-G557 PolarHBondContact O-N 3.21Å; G557-D559 PolarHBondContact O-N 3.11Å | ||
| 558 | Y | 40.6 | Very low | 40.8 | Very low | 86 Ų | 86 | 74.4 Ų | 74.4 | 34% | 0.337 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 10.4 | 169.1 | -64 | -78.1 | 0 | 0 | 0 | 111.5 | L443 D447 K556 D560 M561 L562 | L443-Y558 HydrophobicContact CB-CE2 4.35Å; L443-Y558 HydrophobicContact CD1-CE2 4.41Å; D447-Y558 WeakPolarHBondContact OD2-CD2 3.43Å; K556-Y558 PolarHBondContact O-N 3.47Å; Y558-D560 PolarHBondContact O-N 3.24Å; Y558-M561 HydrophobicContact CD1-SD 4.28Å; Y558-M561 CarbonylContact O-C 3.58Å; Y558-M561 WeakPolarHBondContact O-CA 3.34Å; Y558-M561 VanDerWaalsContact O-CB 3.3Å; Y558-M561 WeakPolarHBondContact O-CB 3.36Å; Y558-M561 PolarHBondContact O-N 3.01Å; Y558-L562 PolarHBondContact O-N 3.37Å |
| 559 | D | 34.7 | Very low | 39.2 | Very low | 102 Ų | 102 | 72.5 Ų | 72.5 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -49.6 | -34.3 | 167 | -68.1 | -49.4 | 0 | 0 | 0 | 112.6 | G557 L562 C563 | G557-D559 PolarHBondContact O-N 3.11Å; D559-L562 WeakPolarHBondContact O-CB 3.4Å; D559-L562 PolarHBondContact O-N 2.98Å; D559-C563 WeakPolarHBondContact O-CB 3.41Å; D559-C563 PolarHBondContact O-N 3.16Å |
| 560 | D | 32.3 | Very low | 37.7 | Very low | 142 Ų | 142 | 72.5 Ų | 72.5 | 76% | 0.759 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -69.5 | -35.3 | 175.4 | -149.7 | 28.6 | 0 | 0 | 0 | 111.7 | Y558 G564 | Y558-D560 PolarHBondContact O-N 3.24Å; D560-G564 PolarHBondContact O-N 3.45Å |
| 561 | M | 37.1 | Very low | 36.1 | Very low | 82 Ų | 82 | 72.2 Ų | 72.2 | 40% | 0.404 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -73.1 | -30.3 | 172.7 | -171 | 177.1 | 173.1 | 0 | 0 | 112.1 | Y558 V565 | Y558-M561 HydrophobicContact CD1-SD 4.28Å; Y558-M561 CarbonylContact O-C 3.58Å; Y558-M561 WeakPolarHBondContact O-CA 3.34Å; Y558-M561 VanDerWaalsContact O-CB 3.3Å; Y558-M561 WeakPolarHBondContact O-CB 3.36Å; Y558-M561 PolarHBondContact O-N 3.01Å; M561-V565 WeakPolarHBondContact O-CG2 3.43Å |
| 562 | L | 35.2 | Very low | 34.6 | Very low | 25 Ų | 25 | 77.5 Ų | 77.5 | 13% | 0.131 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -72 | -43.8 | 174.3 | -82.7 | 148.9 | 0 | 0 | 0 | 112.1 | F416 H451 Y558 D559 G564 V565 | F416-L562 HydrophobicContact CE2-CD2 3.57Å; F416-L562 HydrophobicContact CZ-CD2 3.42Å; F416-L562 VanDerWaalsContact CZ-CD2 3.42Å; H451-L562 VanDerWaalsContact NE2-CD1 3.32Å; H451-L562 WeakPolarHBondContact NE2-CD1 3.33Å; Y558-L562 PolarHBondContact O-N 3.37Å; D559-L562 WeakPolarHBondContact O-CB 3.4Å; D559-L562 PolarHBondContact O-N 2.98Å; L562-G564 VanDerWaalsContact C-N 3.34Å; L562-G564 PolarHBondContact O-N 3.14Å; L562-V565 PolarHBondContact O-N 3.1Å |
| 563 | C | 28.8 | Very low | 33.3 | Very low | 73 Ų | 73 | 80.2 Ų | 80.2 | 49% | 0.493 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -38.4 | -179.7 | -156 | 0 | 0 | 0 | 0 | 111.8 | D559 V565 I566 S567 | D559-C563 WeakPolarHBondContact O-CB 3.41Å; D559-C563 PolarHBondContact O-N 3.16Å; C563-V565 PolarHBondContact O-N 3.45Å; C563-V565 VanDerWaalsContact O-N 3.12Å; C563-I566 PolarHBondContact O-N 2.87Å; C563-S567 PolarHBondContact O-N 3.45Å; C563-S567 PolarHBondContact O-OG 2.94Å |
| 564 | G | 30.6 | Very low | 32.1 | Very low | 34 Ų | 34 | 86.5 Ų | 86.5 | 35% | 0.351 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.7 | -0.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | R378 D560 L562 | R378-G564 VanDerWaalsContact CZ-O 3.26Å; R378-G564 PolarHBondContact NH1-O 3.1Å; R378-G564 PolarHBondContact NH2-O 3.27Å; D560-G564 PolarHBondContact O-N 3.45Å; L562-G564 VanDerWaalsContact C-N 3.34Å; L562-G564 PolarHBondContact O-N 3.14Å |
| 565 | V | 38.5 | Very low | 31.1 | Very low | 29 Ų | 29 | 88.6 Ų | 88.6 | 18% | 0.176 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -94.5 | -23.3 | 173.4 | 174.3 | 0 | 0 | 0 | 0 | 112.4 | F416 M561 L562 C563 | F416-V565 HydrophobicContact CD2-CG1 4.45Å; M561-V565 WeakPolarHBondContact O-CG2 3.43Å; L562-V565 PolarHBondContact O-N 3.1Å; C563-V565 PolarHBondContact O-N 3.45Å; C563-V565 VanDerWaalsContact O-N 3.12Å |
| 566 | I | 34.5 | Very low | 30.5 | Very low | 111 Ų | 111 | 92.8 Ų | 92.8 | 57% | 0.569 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -105.8 | -29.1 | -174.4 | -57.1 | 178.6 | 0 | 0 | 0 | 111.5 | F416 C563 | F416-I566 HydrophobicContact CB-CD1 4.36Å; F416-I566 HydrophobicContact CD1-CD1 3.99Å; F416-I566 HydrophobicContact CD2-CD1 4.42Å; F416-I566 HydrophobicContact CE1-CD1 4.44Å; F416-I566 HydrophobicContact CG-CD1 4Å; F416-I566 HydrophobicContact CG-CG1 4.47Å; C563-I566 PolarHBondContact O-N 2.87Å |
| 567 | S | 27.7 | Very low | 29.9 | Very low | 84 Ų | 84 | 87.6 Ų | 87.6 | 59% | 0.587 | 58% | 0.579 | S | S | * | * | trans | -101.9 | 89.3 | -170.8 | -55.1 | 0 | 0 | 0 | 0 | 112.7 | C563 | C563-S567 PolarHBondContact O-N 3.45Å; C563-S567 PolarHBondContact O-OG 2.94Å | ||
| 568 | S | 27.7 | Very low | 29.6 | Very low | 54 Ų | 54 | 91 Ų | 91 | 38% | 0.378 | 60% | 0.598 | S | S | . | * | trans | -144.2 | 63.5 | 169 | 63.7 | 0 | 0 | 0 | 0 | 112.9 | R382 | R382-S568 PolarHBondContact NH1-O 2.93Å; R382-S568 PolarHBondContact NH1-OG 3.4Å | ||
| 569 | H | 31.2 | Very low | 28.8 | Very low | 158 Ų | 158 | 92.2 Ų | 92.2 | 73% | 0.731 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -148.7 | 135.7 | 160 | -76.1 | -71.4 | 0 | 0 | 0 | 111 | R382 | R382-H569 VanDerWaalsContact CD-CE1 3.5Å; R382-H569 WeakPolarHBondContact CD-CE1 3.44Å; R382-H569 WeakPolarHBondContact CD-NE2 3.43Å |
| 570 | G | 26.9 | Very low | 28.4 | Very low | 86 Ų | 86 | 94.9 Ų | 94.9 | 89% | 0.887 | 63% | 0.628 | S | S | * | * | trans | 78 | 51.4 | 145.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 571 | A | 25.1 | Very low | 28.2 | Very low | 98 Ų | 98 | 93.5 Ų | 93.5 | 81% | 0.81 | 63% | 0.629 | S | S | * | * | trans | -148.8 | 83.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G573 | A571-G573 PolarHBondContact O-N 2.93Š| ||
| 572 | A | 25.4 | Very low | 27.6 | Very low | 111 Ų | 111 | 92.7 Ų | 92.7 | 92% | 0.917 | 64% | 0.642 | S | S | * | * | trans | -76.5 | 111.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 573 | G | 24.7 | Very low | 27.2 | Very low | 60 Ų | 60 | 97.5 Ų | 97.5 | 62% | 0.619 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 144.5 | 115.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | A571 | A571-G573 PolarHBondContact O-N 2.93Š|
| 574 | V | 23.3 | Very low | 27.2 | Very low | 139 Ų | 139 | 97 Ų | 97 | 84% | 0.842 | 67% | 0.669 | S | S | * | * | trans | 57.4 | 72.9 | 152.7 | -151.9 | 0 | 0 | 0 | 0 | 117 | L576 | V574-L576 PolarHBondContact O-N 3.39Š| ||
| 575 | S | 25.2 | Very low | 27 | Very low | 128 Ų | 128 | 99 Ų | 99 | 90% | 0.895 | 69% | 0.689 | S | S | * | * | trans | -84.8 | 99.1 | 158.3 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 576 | L | 23.6 | Very low | 26.4 | Very low | 143 Ų | 143 | 101.4 Ų | 101.4 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | trans | -60.6 | 137.6 | -179.4 | -164.1 | 72.8 | 0 | 0 | 0 | 111.8 | V574 S578 | V574-L576 PolarHBondContact O-N 3.39Å; L576-S578 PolarHBondContact O-N 3.25Å; L576-S578 VanDerWaalsContact O-N 3.15Å | ||
| 577 | G | 23.1 | Very low | 26.2 | Very low | 64 Ų | 64 | 101.9 Ų | 101.9 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | trans | -65.8 | 111.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T579 | G577-T579 VanDerWaalsContact C-N 3.28Å; G577-T579 PolarHBondContact O-N 2.92Å | ||
| 578 | S | 26.2 | Very low | 26.3 | Very low | 102 Ų | 102 | 102.5 Ų | 102.5 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | -79 | 75.7 | 173.4 | 177.1 | 0 | 0 | 0 | 0 | 111 | L576 L580 | L576-S578 PolarHBondContact O-N 3.25Å; L576-S578 VanDerWaalsContact O-N 3.15Å; S578-L580 PolarHBondContact O-N 3.38Å | ||
| 579 | T | 22.8 | Very low | 26.3 | Very low | 111 Ų | 111 | 103.4 Ų | 103.4 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | trans | -68.1 | 93.1 | 165.5 | 43 | 0 | 0 | 0 | 0 | 110.5 | G577 S581 | G577-T579 VanDerWaalsContact C-N 3.28Å; G577-T579 PolarHBondContact O-N 2.92Å; T579-S581 PolarHBondContact O-N 3.03Å | ||
| 580 | L | 27.6 | Very low | 26.2 | Very low | 158 Ų | 158 | 102.7 Ų | 102.7 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -93.1 | 88 | 164.4 | -95.1 | 160.2 | 0 | 0 | 0 | 109.9 | S578 | S578-L580 PolarHBondContact O-N 3.38Š| ||
| 581 | S | 26.2 | Very low | 26.2 | Very low | 114 Ų | 114 | 105.3 Ų | 105.3 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | -60.8 | 136.2 | 164.3 | 42.7 | 0 | 0 | 0 | 0 | 110.6 | T579 | T579-S581 PolarHBondContact O-N 3.03Š| ||
| 582 | G | 25.7 | Very low | 26.6 | Very low | 64 Ų | 64 | 107.1 Ų | 107.1 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | -166.8 | 28.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 583 | V | 25.9 | Very low | 26.7 | Very low | 127 Ų | 127 | 105.1 Ų | 105.1 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | 55 | 131.4 | 156.4 | -175.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 584 | S | 29.5 | Very low | 27 | Very low | 63 Ų | 63 | 110.5 Ų | 110.5 | 44% | 0.441 | 77% | 0.772 | S | S | . | * | trans | 87.6 | 134.1 | 166.2 | 76.5 | 0 | 0 | 0 | 0 | 116.6 | R539 R544 | R539-S584 PolarHBondContact NH1-OG 3.27Å; R539-S584 PolarHBondContact NH2-OG 2.77Å; R544-S584 PolarHBondContact NH1-OG 2.75Å | ||
| 585 | G | 27.4 | Very low | 27.2 | Very low | 74 Ų | 74 | 107.6 Ų | 107.6 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | cis | 144.6 | 113.9 | 9.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 586 | G | 25.4 | Very low | 27.5 | Very low | 80 Ų | 80 | 110.3 Ų | 110.3 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -72.2 | 150 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 587 | S | 30.8 | Very low | 27.7 | Very low | 122 Ų | 122 | 106.8 Ų | 106.8 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -140.8 | 132.9 | 152.9 | -169 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 588 | A | 28.1 | Very low | 27.8 | Very low | 96 Ų | 96 | 109 Ų | 109 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | trans | -103.8 | 157.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 589 | G | 27.7 | Very low | 27.9 | Very low | 73 Ų | 73 | 109.6 Ų | 109.6 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | 90.6 | 107.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 590 | V | 30.5 | Very low | 28.2 | Very low | 143 Ų | 143 | 111.6 Ų | 111.6 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | -130.8 | 133.3 | 126.4 | 177.3 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 591 | V | 26.6 | Very low | 28.3 | Very low | 142 Ų | 142 | 111.3 Ų | 111.3 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | -103.4 | 123.4 | 178.5 | -87.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 592 | V | 33.4 | Very low | 28.4 | Very low | 136 Ų | 136 | 109.4 Ų | 109.4 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -148.8 | 127.8 | 153.4 | -162.8 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 593 | G | 27.7 | Very low | 28.6 | Very low | 69 Ų | 69 | 113.3 Ų | 113.3 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | 123.1 | 67.4 | 11.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 594 | D | 29.8 | Very low | 28.9 | Very low | 172 Ų | 172 | 113.2 Ų | 113.2 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | trans | -156.8 | 153.4 | 150.5 | -135.4 | -21.2 | 0 | 0 | 0 | 111.9 | ||||
| 595 | A | 27.5 | Very low | 29.3 | Very low | 79 Ų | 79 | 116.1 Ų | 116.1 | 65% | 0.653 | 80% | 0.796 | S | S | * | * | trans | -132.2 | 124.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 596 | L | 31.6 | Very low | 29.8 | Very low | 184 Ų | 184 | 123 Ų | 123 | 96% | 0.963 | 80% | 0.799 | S | S | * | * | trans | -166 | 140.3 | 153.6 | -134.2 | 74.8 | 0 | 0 | 0 | 112.6 | ||||
| 597 | G | 27.5 | Very low | 30.5 | Very low | 70 Ų | 70 | 124.5 Ų | 124.5 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 89.2 | 93 | 138.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 598 | S | 27.1 | Very low | 31.1 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | 60.1 | 113.1 | 133.6 | -135.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 599 | T | 26.8 | Very low | 32.1 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | 34.2 | 121.4 | 130.9 | 59.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 600 | I | 30.3 | Very low | 33.2 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | -173.2 | 128.9 | 120.7 | -95.2 | 150.7 | 0 | 0 | 0 | 111 | |||||
| 601 | N | 29 | Very low | 34.4 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | 37.1 | 111.3 | 154.1 | -55.7 | -13.4 | 0 | 0 | 0 | 122.2 | ||||
| 602 | G | 27.4 | Very low | 35.6 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | 68.5 | 103.4 | 114.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 603 | T | 31.6 | Very low | 37.2 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 90% | 0.896 | 76% | 0.763 | S | S | * | * | trans | -161.9 | 159.7 | 148.5 | 15.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 604 | D | 31.2 | Very low | 39.2 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | trans | -54.8 | 146.2 | -159.8 | -69.7 | -72.8 | 0 | 0 | 0 | 118.6 | R606 | D604-R606 PolarHBondContact O-N 2.98Å; D604-R606 VanDerWaalsContact O-N 3.12Å | ||
| 605 | P | 37.6 | Very low | 41.1 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | trans | -73.9 | 99.9 | 165.7 | 32.4 | -31.7 | 0 | 0 | 0 | 110.2 | ||||
| 606 | R | 39.4 | Very low | 42.9 | Very low | 220 Ų | 220 | 131.4 Ų | 131.4 | 83% | 0.83 | 75% | 0.754 | S | S | * | * | trans | -56.3 | 145 | 165 | -79.1 | 177.9 | -80.3 | 177.7 | -5.8 | 110.1 | D604 T608 | D604-R606 PolarHBondContact O-N 2.98Å; D604-R606 VanDerWaalsContact O-N 3.12Å; R606-T608 PolarHBondContact O-N 3.37Å | ||
| 607 | P | 38.4 | Very low | 44.1 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | trans | -60.1 | 121.6 | -175.1 | 24 | -33.9 | 0 | 0 | 0 | 111 | Y609 | P607-Y609 PolarHBondContact O-N 3.09Š| ||
| 608 | T | 43.8 | Very low | 45.6 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | trans | -72 | 110.2 | -178.2 | -42.8 | 0 | 0 | 0 | 0 | 110 | R606 | R606-T608 PolarHBondContact O-N 3.37Š| ||
| 609 | Y | 50 | Low | 47.1 | Very low | 197 Ų | 197 | 131.8 Ų | 131.8 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 147.8 | 169.5 | -59.3 | -86 | 0 | 0 | 0 | 110.7 | P607 Q611 | P607-Y609 PolarHBondContact O-N 3.09Å; Y609-Q611 PolarHBondContact O-N 3.24Å; Y609-Q611 VanDerWaalsContact O-N 3.08Å |
| 610 | P | 50.6 | Low | 48.5 | Very low | 132 Ų | 132 | 133 Ų | 133 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -57 | 116.7 | 173.6 | -21.9 | 32.8 | 0 | 0 | 0 | 110.3 | ||
| 611 | Q | 55.5 | Low | 50 | Low | 168 Ų | 168 | 132.9 Ų | 132.9 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 134.1 | 174.7 | -67.6 | -172.9 | -3.9 | 0 | 0 | 109.4 | Y609 | Y609-Q611 PolarHBondContact O-N 3.24Å; Y609-Q611 VanDerWaalsContact O-N 3.08Å |
| 612 | P | 51.5 | Low | 51.3 | Low | 103 Ų | 103 | 129.8 Ų | 129.8 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 148.6 | 176.1 | 28.5 | -34.4 | 0 | 0 | 0 | 111.2 | V614 | P612-V614 PolarHBondContact O-N 3.08Š|
| 613 | D | 67.9 | Low | 52.8 | Low | 85 Ų | 85 | 132.5 Ų | 132.5 | 46% | 0.455 | 70% | 0.702 | S | S | . | * | trans | -68 | 100 | 175.8 | 178.3 | 6.7 | 0 | 0 | 0 | 110.7 | S615 Q616 | D613-S615 PolarHBondContact O-N 3.42Å; D613-S615 VanDerWaalsContact O-N 3.13Å; D613-S615 VanDerWaalsContact OD1-CB 3.27Å; D613-S615 WeakPolarHBondContact OD1-CB 3.26Å; D613-S615 PolarHBondContact OD1-N 3.2Å; D613-S615 PolarHBondContact OD1-OG 3.03Å; D613-S615 PolarHBondContact OD2-OG 3.09Å; D613-Q616 PolarHBondContact O-N 2.98Å; D613-Q616 PolarHBondContact OD2-NE2 3.32Å | ||
| 614 | V | 68.3 | Low | 54.2 | Low | 111 Ų | 111 | 129.7 Ų | 129.7 | 67% | 0.673 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -63.5 | -15 | -179.8 | -63.9 | 0 | 0 | 0 | 0 | 113.5 | P612 Q616 M617 | P612-V614 PolarHBondContact O-N 3.08Å; V614-Q616 VanDerWaalsContact C-N 3.27Å; V614-Q616 PolarHBondContact O-N 3.3Å; V614-M617 HydrophobicContact CB-SD 4.3Å; V614-M617 HydrophobicContact CG1-SD 4.08Å; V614-M617 PolarHBondContact O-N 3.1Å |
| 615 | S | 71.1 | Confident | 55.8 | Low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -73 | -19.4 | 177.4 | 76.3 | 0 | 0 | 0 | 0 | 113.4 | D613 | D613-S615 PolarHBondContact O-N 3.42Å; D613-S615 VanDerWaalsContact O-N 3.13Å; D613-S615 VanDerWaalsContact OD1-CB 3.27Å; D613-S615 WeakPolarHBondContact OD1-CB 3.26Å; D613-S615 PolarHBondContact OD1-N 3.2Å; D613-S615 PolarHBondContact OD1-OG 3.03Å; D613-S615 PolarHBondContact OD2-OG 3.09Å |
| 616 | Q | 63.8 | Low | 56.8 | Low | 158 Ų | 158 | 130.8 Ų | 130.8 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -94.7 | 2 | 177.5 | -61.1 | -174.6 | 39.5 | 0 | 0 | 113.3 | D613 V614 L618 | D613-Q616 PolarHBondContact O-N 2.98Å; D613-Q616 PolarHBondContact OD2-NE2 3.32Å; V614-Q616 VanDerWaalsContact C-N 3.27Å; V614-Q616 PolarHBondContact O-N 3.3Å; Q616-L618 PolarHBondContact O-N 2.94Å |
| 617 | M | 57.6 | Low | 57.9 | Low | 132 Ų | 132 | 130.6 Ų | 130.6 | 65% | 0.65 | 68% | 0.681 | S | S | * | * | trans | -77.9 | 114.5 | -178.9 | -67.7 | -174.1 | 65.7 | 0 | 0 | 112 | V614 | V614-M617 HydrophobicContact CB-SD 4.3Å; V614-M617 HydrophobicContact CG1-SD 4.08Å; V614-M617 PolarHBondContact O-N 3.1Å | ||
| 618 | L | 58.5 | Low | 58.9 | Low | 142 Ų | 142 | 132.3 Ų | 132.3 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | trans | -70.6 | 142.8 | 168.7 | -72.3 | 170.9 | 0 | 0 | 0 | 110.9 | Q616 F620 | Q616-L618 PolarHBondContact O-N 2.94Å; L618-F620 PolarHBondContact O-N 2.68Å | ||
| 619 | P | 59 | Low | 59.9 | Low | 98 Ų | 98 | 129.9 Ų | 129.9 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | trans | -62.1 | 121.4 | -179.5 | -24 | 33.9 | 0 | 0 | 0 | 112.9 | K621 | P619-K621 PolarHBondContact O-N 3.32Å; P619-K621 VanDerWaalsContact O-N 3.11Å | ||
| 620 | F | 55.2 | Low | 60.6 | Low | 140 Ų | 140 | 122.3 Ų | 122.3 | 61% | 0.614 | 67% | 0.666 | S | S | * | * | trans | -58.2 | 112.4 | 172.2 | 178.9 | -113.5 | 0 | 0 | 0 | 110.5 | L618 P622 G635 | L618-F620 PolarHBondContact O-N 2.68Å; F620-P622 HydrophobicContact CD1-CG 4.17Å; F620-P622 HydrophobicContact CE1-CB 4.47Å; F620-P622 HydrophobicContact CE1-CG 3.58Å; F620-P622 HydrophobicContact CE2-CB 4.49Å; F620-P622 HydrophobicContact CE2-CG 4.35Å; F620-P622 HydrophobicContact CZ-CB 4.08Å; F620-P622 HydrophobicContact CZ-CG 3.68Å; F620-G635 VanDerWaalsContact CD2-O 3.31Å; F620-G635 WeakPolarHBondContact CD2-O 3.5Å | ||
| 621 | K | 61.6 | Low | 61.3 | Low | 152 Ų | 152 | 121 Ų | 121 | 66% | 0.661 | 65% | 0.648 | S | S | * | * | trans | -132.2 | 73.5 | 180 | -75.1 | -175.1 | 178.1 | 177.6 | 0 | 110.4 | P619 K623 | P619-K621 PolarHBondContact O-N 3.32Å; P619-K621 VanDerWaalsContact O-N 3.11Å; K621-K623 PolarHBondContact O-N 2.89Å | ||
| 622 | P | 57.2 | Low | 61.6 | Low | 85 Ų | 85 | 116.7 Ų | 116.7 | 55% | 0.552 | 63% | 0.634 | S | S | * | * | trans | -61.9 | 127.2 | 172.4 | 28 | -35.4 | 0 | 0 | 0 | 109.8 | F620 | F620-P622 HydrophobicContact CD1-CG 4.17Å; F620-P622 HydrophobicContact CE1-CB 4.47Å; F620-P622 HydrophobicContact CE1-CG 3.58Å; F620-P622 HydrophobicContact CE2-CB 4.49Å; F620-P622 HydrophobicContact CE2-CG 4.35Å; F620-P622 HydrophobicContact CZ-CB 4.08Å; F620-P622 HydrophobicContact CZ-CG 3.68Å | ||
| 623 | K | 59.8 | Low | 62.2 | Low | 132 Ų | 132 | 115.1 Ų | 115.1 | 57% | 0.574 | 62% | 0.623 | S | S | * | * | trans | -103.2 | 126.8 | 168.2 | -67.3 | 179 | -174.7 | 168.1 | 0 | 108.1 | K621 Y625 E637 | K621-K623 PolarHBondContact O-N 2.89Å; K623-Y625 PolarHBondContact O-N 2.87Å; K623-E637 WeakPolarHBondContact CE-OE2 3.44Å; K623-E637 IonicContact NZ-OE2 2.65Å; K623-E637 PolarHBondContact NZ-OE2 3.21Å | ||
| 624 | A | 60.7 | Low | 61.7 | Low | 87 Ų | 87 | 116.4 Ų | 116.4 | 72% | 0.719 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -64.3 | -22.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 625 | Y | 64.6 | Low | 61.4 | Low | 208 Ų | 208 | 112.3 Ų | 112.3 | 82% | 0.816 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -131.2 | 93.5 | -179.6 | -54.2 | -76.3 | 0 | 0 | 0 | 109.5 | K623 | K623-Y625 PolarHBondContact O-N 2.87Š|
| 626 | P | 59.2 | Low | 61.1 | Low | 63 Ų | 63 | 108.3 Ų | 108.3 | 41% | 0.409 | 60% | 0.6 | S | S | . | * | trans | -61.5 | 141.9 | 169.1 | -16.6 | 30.2 | 0 | 0 | 0 | 109.6 | S630 P632 | P626-S630 WeakPolarHBondContact CB-OG 3.46Å; P626-P632 HydrophobicContact CB-CB 4.42Å; P626-P632 HydrophobicContact CB-CG 4.38Å; P626-P632 HydrophobicContact CG-CB 4.09Å; P626-P632 HydrophobicContact CG-CG 4.25Å | ||
| 627 | R | 62.5 | Low | 61.1 | Low | 216 Ų | 216 | 103.9 Ų | 103.9 | 82% | 0.815 | 58% | 0.579 | S | S | * | * | trans | -73.9 | 145.2 | 173.2 | -70.7 | -170.1 | 177.8 | -145.9 | 0.4 | 109.8 | G629 S630 E637 | R627-G629 PolarHBondContact O-N 3.01Å; R627-S630 PolarHBondContact N-OG 2.94Å; R627-S630 PolarHBondContact O-N 3.21Å; R627-S630 PolarHBondContact O-OG 3.24Å; R627-S630 VanDerWaalsContact O-OG 3.13Å; R627-E637 PolarHBondContact N-OE1 3.08Å | ||
| 628 | T | 58.8 | Low | 61.4 | Low | 146 Ų | 146 | 102.5 Ų | 102.5 | 90% | 0.896 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | 115.6 | 172.4 | -41.5 | 0 | 0 | 0 | 0 | 110 | ||
| 629 | G | 63.6 | Low | 61.8 | Low | 74 Ų | 74 | 101.1 Ų | 101.1 | 76% | 0.763 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.7 | 0.6 | -175 | 0 | 0 | 0 | 0 | 0 | 116.3 | R627 | R627-G629 PolarHBondContact O-N 3.01Š|
| 630 | S | 65.1 | Low | 62.3 | Low | 38 Ų | 38 | 98 Ų | 98 | 27% | 0.266 | 55% | 0.549 | S | S | . | . | trans | -86.3 | 159 | 166.2 | 72.7 | 0 | 0 | 0 | 0 | 112.1 | P626 R627 P632 E637 | P626-S630 WeakPolarHBondContact CB-OG 3.46Å; R627-S630 PolarHBondContact N-OG 2.94Å; R627-S630 PolarHBondContact O-N 3.21Å; R627-S630 PolarHBondContact O-OG 3.24Å; R627-S630 VanDerWaalsContact O-OG 3.13Å; S630-P632 VanDerWaalsContact C-CD 3.49Å; S630-P632 WeakPolarHBondContact O-CD 3.47Å; S630-E637 WeakPolarHBondContact CB-OE1 3.42Å; S630-E637 PolarHBondContact OG-OE1 3.17Å | ||
| 631 | H | 65.5 | Low | 63.3 | Low | 104 Ų | 104 | 95.2 Ų | 95.2 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 82.5 | -178.6 | -169.8 | -63.6 | 0 | 0 | 0 | 109.9 | V633 F638 | H631-V633 WeakPolarHBondContact ND1-CG2 3.47Å; H631-V633 PolarHBondContact O-N 3.04Å; H631-F638 PolarHBondContact O-N 3.12Å |
| 632 | P | 63.1 | Low | 64 | Low | 77 Ų | 77 | 93.2 Ų | 93.2 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 130.4 | 178.8 | 28.7 | -34.8 | 0 | 0 | 0 | 110.5 | P626 S630 | P626-P632 HydrophobicContact CB-CB 4.42Å; P626-P632 HydrophobicContact CB-CG 4.38Å; P626-P632 HydrophobicContact CG-CB 4.09Å; P626-P632 HydrophobicContact CG-CG 4.25Å; S630-P632 VanDerWaalsContact C-CD 3.49Å; S630-P632 WeakPolarHBondContact O-CD 3.47Å |
| 633 | V | 63.4 | Low | 64.9 | Low | 71 Ų | 71 | 93 Ų | 93 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.2 | 159.1 | 170.2 | -160.4 | 0 | 0 | 0 | 0 | 107.3 | H631 G635 G636 F638 | H631-V633 WeakPolarHBondContact ND1-CG2 3.47Å; H631-V633 PolarHBondContact O-N 3.04Å; V633-G635 VanDerWaalsContact C-N 3.31Å; V633-G635 PolarHBondContact O-N 3.31Å; V633-G636 PolarHBondContact N-O 3.02Å; V633-G636 PolarHBondContact O-N 2.89Å; V633-G636 VanDerWaalsContact O-O 3.09Å; V633-F638 HydrophobicContact CB-CD2 3.81Å; V633-F638 HydrophobicContact CB-CE2 4.22Å; V633-F638 HydrophobicContact CG2-CB 4.17Å; V633-F638 HydrophobicContact CG2-CD2 3.75Å; V633-F638 HydrophobicContact CG2-CG 4.27Å |
| 634 | A | 57.9 | Low | 65.6 | Low | 112 Ų | 112 | 88.5 Ų | 88.5 | 93% | 0.926 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 91.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 635 | G | 60.7 | Low | 66.5 | Low | 25 Ų | 25 | 86.4 Ų | 86.4 | 26% | 0.258 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 149.5 | -30.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F620 V633 | F620-G635 VanDerWaalsContact CD2-O 3.31Å; F620-G635 WeakPolarHBondContact CD2-O 3.5Å; V633-G635 VanDerWaalsContact C-N 3.31Å; V633-G635 PolarHBondContact O-N 3.31Å |
| 636 | G | 64.3 | Low | 67.2 | Low | 14 Ų | 14 | 79.6 Ų | 79.6 | 14% | 0.144 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.4 | -166.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | V633 | V633-G636 PolarHBondContact N-O 3.02Å; V633-G636 PolarHBondContact O-N 2.89Å; V633-G636 VanDerWaalsContact O-O 3.09Å |
| 637 | E | 64.3 | Low | 68.1 | Low | 66 Ų | 66 | 81.7 Ų | 81.7 | 31% | 0.308 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 112.2 | 166.8 | -69.3 | 175.8 | 148.5 | 0 | 0 | 108.7 | K623 R627 S630 | K623-E637 WeakPolarHBondContact CE-OE2 3.44Å; K623-E637 IonicContact NZ-OE2 2.65Å; K623-E637 PolarHBondContact NZ-OE2 3.21Å; R627-E637 PolarHBondContact N-OE1 3.08Å; S630-E637 WeakPolarHBondContact CB-OE1 3.42Å; S630-E637 PolarHBondContact OG-OE1 3.17Å |
| 638 | F | 63.4 | Low | 68.7 | Low | 103 Ų | 103 | 75.7 Ų | 75.7 | 45% | 0.452 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 143.7 | 169.7 | -78 | -99.4 | 0 | 0 | 0 | 109.4 | H631 V633 | H631-F638 PolarHBondContact O-N 3.12Å; V633-F638 HydrophobicContact CB-CD2 3.81Å; V633-F638 HydrophobicContact CB-CE2 4.22Å; V633-F638 HydrophobicContact CG2-CB 4.17Å; V633-F638 HydrophobicContact CG2-CD2 3.75Å; V633-F638 HydrophobicContact CG2-CG 4.27Å |
| 639 | P | 67.7 | Low | 69.7 | Low | 112 Ų | 112 | 76.9 Ų | 76.9 | 73% | 0.727 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -62 | 135.8 | 168.8 | 27.4 | -32.8 | 0 | 0 | 0 | 108.8 | ||
| 640 | P | 68.8 | Low | 70.6 | Confident | 34 Ų | 34 | 80.2 Ų | 80.2 | 22% | 0.221 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 144.2 | 175.9 | 24.4 | -32.7 | 0 | 0 | 0 | 109.9 | A644 L648 | P640-A644 HydrophobicContact CB-CB 4.07Å; P640-L648 HydrophobicContact CB-CD1 4.13Å; P640-L648 HydrophobicContact CG-CD1 3.85Å |
| 641 | P | 76.3 | Confident | 71.3 | Confident | 81 Ų | 81 | 82.6 Ų | 82.6 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 148.4 | 176.7 | -28.6 | 34.9 | 0 | 0 | 0 | 111.8 | A643 A644 S645 | P641-A643 PolarHBondContact O-N 2.93Å; P641-A644 WeakPolarHBondContact O-CA 3.3Å; P641-A644 PolarHBondContact O-N 2.94Å; P641-S645 PolarHBondContact O-N 3.06Å |
| 642 | P | 76.7 | Confident | 71.8 | Confident | 110 Ų | 110 | 82.1 Ų | 82.1 | 71% | 0.714 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -51.6 | -35.1 | -171.9 | -30.7 | 36.1 | 0 | 0 | 0 | 115.2 | S646 | P642-S646 WeakPolarHBondContact O-CB 3.26Å; P642-S646 PolarHBondContact O-N 3.43Å; P642-S646 PolarHBondContact O-OG 3.2Å |
| 643 | A | 77.3 | Confident | 72.3 | Confident | 79 Ų | 79 | 81.7 Ų | 81.7 | 65% | 0.653 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.9 | -50.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P641 S645 S646 L647 | P641-A643 PolarHBondContact O-N 2.93Å; A643-S645 VanDerWaalsContact C-N 3.35Å; A643-S645 PolarHBondContact O-N 3.42Å; A643-S646 WeakPolarHBondContact O-CB 3.33Å; A643-S646 PolarHBondContact O-N 3.3Å; A643-S646 VanDerWaalsContact O-N 3.17Å; A643-L647 PolarHBondContact O-N 3.48Å |
| 644 | A | 74.1 | Confident | 72.3 | Confident | 39 Ų | 39 | 83.2 Ų | 83.2 | 32% | 0.322 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P640 P641 S646 L647 L648 | P640-A644 HydrophobicContact CB-CB 4.07Å; P641-A644 WeakPolarHBondContact O-CA 3.3Å; P641-A644 PolarHBondContact O-N 2.94Å; A644-S646 PolarHBondContact O-N 3.34Å; A644-L647 PolarHBondContact O-N 3.18Å; A644-L648 WeakPolarHBondContact O-CB 3.41Å; A644-L648 VanDerWaalsContact O-CG 3.26Å; A644-L648 WeakPolarHBondContact O-CG 3.46Å; A644-L648 PolarHBondContact O-N 3Å |
| 645 | S | 78 | Confident | 72.9 | Confident | 42 Ų | 42 | 85.1 Ų | 85.1 | 29% | 0.294 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -29.8 | 174.5 | -157.8 | 0 | 0 | 0 | 0 | 112.7 | P641 A643 K649 | P641-S645 PolarHBondContact O-N 3.06Å; A643-S645 VanDerWaalsContact C-N 3.35Å; A643-S645 PolarHBondContact O-N 3.42Å; S645-K649 WeakPolarHBondContact O-CG 3.45Å |
| 646 | S | 80.1 | Confident | 73.7 | Confident | 66 Ų | 66 | 87.6 Ų | 87.6 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -76 | -42 | 172.7 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | P642 A643 A644 L648 K649 L650 | P642-S646 WeakPolarHBondContact O-CB 3.26Å; P642-S646 PolarHBondContact O-N 3.43Å; P642-S646 PolarHBondContact O-OG 3.2Å; A643-S646 WeakPolarHBondContact O-CB 3.33Å; A643-S646 PolarHBondContact O-N 3.3Å; A643-S646 VanDerWaalsContact O-N 3.17Å; A644-S646 PolarHBondContact O-N 3.34Å; S646-L648 PolarHBondContact O-N 3.42Å; S646-K649 WeakPolarHBondContact O-CB 3.23Å; S646-K649 PolarHBondContact O-N 3.34Å; S646-L650 PolarHBondContact O-N 2.82Å |
| 647 | L | 78.1 | Confident | 73.8 | Confident | 106 Ų | 106 | 93.1 Ų | 93.1 | 56% | 0.555 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 174.8 | -176.8 | 64.1 | 0 | 0 | 0 | 112.2 | A643 A644 K649 L650 I651 | A643-L647 PolarHBondContact O-N 3.48Å; A644-L647 PolarHBondContact O-N 3.18Å; L647-K649 PolarHBondContact O-N 2.65Å; L647-K649 VanDerWaalsContact O-N 3.15Å; L647-L650 PolarHBondContact O-N 2.71Å; L647-I651 HydrophobicContact CD1-CG2 4.33Å; L647-I651 HydrophobicContact CG-CG2 4.5Å; L647-I651 PolarHBondContact O-N 3.31Å; L647-I651 VanDerWaalsContact O-N 3.11Å |
| 648 | L | 75.9 | Confident | 74.1 | Confident | 91 Ų | 91 | 98.5 Ų | 98.5 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.8 | -19 | 176.4 | -72.7 | 171.6 | 0 | 0 | 0 | 113.7 | P640 A644 S646 I651 | P640-L648 HydrophobicContact CB-CD1 4.13Å; P640-L648 HydrophobicContact CG-CD1 3.85Å; A644-L648 WeakPolarHBondContact O-CB 3.41Å; A644-L648 VanDerWaalsContact O-CG 3.26Å; A644-L648 WeakPolarHBondContact O-CG 3.46Å; A644-L648 PolarHBondContact O-N 3Å; S646-L648 PolarHBondContact O-N 3.42Å; L648-I651 HydrophobicContact CD2-CD1 3.94Å |
| 649 | K | 80 | Confident | 74.4 | Confident | 171 Ų | 171 | 94.6 Ų | 94.6 | 74% | 0.743 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -88.5 | -15.7 | 172.7 | -69.2 | 170.4 | -176.8 | 176.3 | 0 | 113.5 | S645 S646 L647 | S645-K649 WeakPolarHBondContact O-CG 3.45Å; S646-K649 WeakPolarHBondContact O-CB 3.23Å; S646-K649 PolarHBondContact O-N 3.34Å; L647-K649 PolarHBondContact O-N 2.65Å; L647-K649 VanDerWaalsContact O-N 3.15Å |
| 650 | L | 82.6 | Confident | 74.5 | Confident | 143 Ų | 143 | 95 Ų | 95 | 75% | 0.749 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -95.1 | -30.3 | -179.2 | -68.6 | 168.8 | 0 | 0 | 0 | 112.3 | S646 L647 | S646-L650 PolarHBondContact O-N 2.82Å; L647-L650 PolarHBondContact O-N 2.71Å |
| 651 | I | 78.2 | Confident | 74.7 | Confident | 89 Ų | 89 | 102.1 Ų | 102.1 | 46% | 0.456 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -77.7 | 142.4 | 177.2 | 64.8 | 178.5 | 0 | 0 | 0 | 111.5 | L647 L648 | L647-I651 HydrophobicContact CD1-CG2 4.33Å; L647-I651 HydrophobicContact CG-CG2 4.5Å; L647-I651 PolarHBondContact O-N 3.31Å; L647-I651 VanDerWaalsContact O-N 3.11Å; L648-I651 HydrophobicContact CD2-CD1 3.94Å |
| 652 | P | 76.6 | Confident | 74.7 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 61% | 0.61 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 150.9 | 173.8 | 28 | -34.4 | 0 | 0 | 0 | 111 | C656 | P652-C656 HydrophobicContact CB-CB 4.1Š|
| 653 | P | 73.3 | Confident | 75 | Confident | 68 Ų | 68 | 101.5 Ų | 101.5 | 44% | 0.442 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -54 | 148.6 | 175 | -25.5 | 33.7 | 0 | 0 | 0 | 112.1 | Q655 C656 | P653-Q655 PolarHBondContact O-N 3.08Å; P653-C656 WeakPolarHBondContact O-CB 3.28Å; P653-C656 PolarHBondContact O-N 3.45Å |
| 654 | P | 62.9 | Low | 75.2 | Confident | 102 Ų | 102 | 102.1 Ų | 102.1 | 66% | 0.662 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -60.2 | -19.5 | 179.7 | 23.2 | -33.6 | 0 | 0 | 0 | 113.5 | C656 F657 | P654-C656 PolarHBondContact O-N 3.42Å; P654-F657 PolarHBondContact O-N 3.03Å |
| 655 | Q | 72 | Confident | 75.6 | Confident | 153 Ų | 153 | 106.1 Ų | 106.1 | 72% | 0.715 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -64.6 | -20.7 | 172.5 | -59.2 | 124.2 | 18.2 | 0 | 0 | 113.4 | P653 F657 | P653-Q655 PolarHBondContact O-N 3.08Å; Q655-F657 VanDerWaalsContact C-N 3.34Å |
| 656 | C | 77.2 | Confident | 75.8 | Confident | 76 Ų | 76 | 110.4 Ų | 110.4 | 51% | 0.514 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -85.1 | -6.3 | 178.7 | -58 | 0 | 0 | 0 | 0 | 113 | P652 P653 P654 H658 | P652-C656 HydrophobicContact CB-CB 4.1Å; P653-C656 WeakPolarHBondContact O-CB 3.28Å; P653-C656 PolarHBondContact O-N 3.45Å; P654-C656 PolarHBondContact O-N 3.42Å; C656-H658 PolarHBondContact O-N 3.45Å; C656-H658 VanDerWaalsContact O-N 3.12Å |
| 657 | F | 65.3 | Low | 75.8 | Confident | 131 Ų | 131 | 112.3 Ų | 112.3 | 58% | 0.575 | 59% | 0.591 | S | S | * | * | trans | -81.4 | 91.4 | 177.1 | -169.1 | -93.2 | 0 | 0 | 0 | 110.7 | P654 Q655 G659 | P654-F657 PolarHBondContact O-N 3.03Å; Q655-F657 VanDerWaalsContact C-N 3.34Å; F657-G659 VanDerWaalsContact C-N 3.33Å; F657-G659 WeakPolarHBondContact CE1-O 3.43Å | ||
| 658 | H | 70.8 | Confident | 75.9 | Confident | 178 Ų | 178 | 111.7 Ų | 111.7 | 82% | 0.824 | 59% | 0.588 | S | S | * | * | trans | -98.2 | 21.3 | 165.9 | -61.1 | -61.2 | 0 | 0 | 0 | 112 | C656 | C656-H658 PolarHBondContact O-N 3.45Å; C656-H658 VanDerWaalsContact O-N 3.12Å | ||
| 659 | G | 69.8 | Low | 76.4 | Confident | 22 Ų | 22 | 112.9 Ų | 112.9 | 23% | 0.227 | 59% | 0.591 | C | S | . | * | S | Bend | trans | -74.1 | 162.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | F657 F661 | F657-G659 VanDerWaalsContact C-N 3.33Å; F657-G659 WeakPolarHBondContact CE1-O 3.43Å; G659-F661 PolarHBondContact O-N 2.93Å |
| 660 | P | 69.5 | Low | 76.7 | Confident | 120 Ų | 120 | 110.2 Ų | 110.2 | 78% | 0.779 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 129.2 | 177.1 | 26.4 | -34 | 0 | 0 | 0 | 110.4 | ||
| 661 | F | 74 | Confident | 76.5 | Confident | 183 Ų | 183 | 109.5 Ų | 109.5 | 80% | 0.803 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 132.9 | 170.4 | -61.6 | -81.2 | 0 | 0 | 0 | 108.9 | G659 D663 | G659-F661 PolarHBondContact O-N 2.93Å; F661-D663 PolarHBondContact O-N 3.34Å |
| 662 | V | 76.3 | Confident | 76.7 | Confident | 106 Ų | 106 | 112.5 Ų | 112.5 | 64% | 0.642 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 124.8 | 174.9 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | V664 F667 | V662-V664 PolarHBondContact O-N 2.94Å; V662-F667 HydrophobicContact CG1-CB 3.87Å; V662-F667 HydrophobicContact CG1-CD2 4.38Å; V662-F667 HydrophobicContact CG1-CG 4.29Å |
| 663 | D | 83.9 | Confident | 77.2 | Confident | 72 Ų | 72 | 114.8 Ų | 114.8 | 39% | 0.385 | 59% | 0.591 | S | S | . | * | trans | -67.1 | 99.2 | 170.4 | -172.5 | -17.8 | 0 | 0 | 0 | 107.9 | F661 D665 K666 F667 | F661-D663 PolarHBondContact O-N 3.34Å; D663-D665 PolarHBondContact O-N 3.15Å; D663-K666 HydrophobicContact CB-CB 4.18Å; D663-K666 HydrophobicContact CB-CD 4.27Å; D663-K666 HydrophobicContact CB-CG 4.28Å; D663-K666 PolarHBondContact O-N 3.45Å; D663-K666 WeakPolarHBondContact OD2-CD 3.37Å; D663-K666 WeakPolarHBondContact OD2-CE 3.41Å; D663-K666 IonicContact OD2-NZ 3.11Å; D663-K666 PolarHBondContact OD2-NZ 2.92Å; D663-F667 PolarHBondContact O-N 3.15Å | ||
| 664 | V | 81.5 | Confident | 77.7 | Confident | 92 Ų | 92 | 115.5 Ų | 115.5 | 56% | 0.558 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.3 | -34.6 | -170.3 | -178.9 | 0 | 0 | 0 | 0 | 111 | V662 F667 L668 | V662-V664 PolarHBondContact O-N 2.94Å; V664-F667 PolarHBondContact O-N 3.12Å; V664-L668 HydrophobicContact CG1-CD1 4.09Å; V664-L668 HydrophobicContact CG1-CG 4.42Å; V664-L668 WeakPolarHBondContact O-CB 3.27Å; V664-L668 VanDerWaalsContact O-CG 3.32Å; V664-L668 WeakPolarHBondContact O-CG 3.35Å; V664-L668 PolarHBondContact O-N 2.85Å |
| 665 | D | 82.1 | Confident | 78.6 | Confident | 124 Ų | 124 | 119.3 Ų | 119.3 | 66% | 0.663 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.8 | -46.2 | 178.7 | -63.7 | -35.6 | 0 | 0 | 0 | 110.4 | D663 F667 L668 E669 | D663-D665 PolarHBondContact O-N 3.15Å; D665-F667 VanDerWaalsContact C-N 3.33Å; D665-F667 PolarHBondContact O-N 3.44Å; D665-L668 PolarHBondContact O-N 3.4Å; D665-E669 WeakPolarHBondContact O-CB 3.13Å; D665-E669 PolarHBondContact O-N 3.14Å |
| 666 | K | 82.4 | Confident | 78.7 | Confident | 131 Ų | 131 | 117.8 Ų | 117.8 | 57% | 0.57 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.2 | -33.5 | 173.8 | -69.2 | -172.8 | -177.6 | 116.1 | 0 | 113.7 | D663 H670 | D663-K666 HydrophobicContact CB-CB 4.18Å; D663-K666 HydrophobicContact CB-CD 4.27Å; D663-K666 HydrophobicContact CB-CG 4.28Å; D663-K666 PolarHBondContact O-N 3.45Å; D663-K666 WeakPolarHBondContact OD2-CD 3.37Å; D663-K666 WeakPolarHBondContact OD2-CE 3.41Å; D663-K666 IonicContact OD2-NZ 3.11Å; D663-K666 PolarHBondContact OD2-NZ 2.92Å; K666-H670 WeakPolarHBondContact O-CB 3.49Å; K666-H670 PolarHBondContact O-N 3.43Å |
| 667 | F | 79.5 | Confident | 78.8 | Confident | 107 Ų | 107 | 118 Ų | 118 | 47% | 0.469 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.3 | -40.9 | 175.8 | 180 | -99.2 | 0 | 0 | 0 | 111.4 | V662 D663 V664 D665 F671 | V662-F667 HydrophobicContact CG1-CB 3.87Å; V662-F667 HydrophobicContact CG1-CD2 4.38Å; V662-F667 HydrophobicContact CG1-CG 4.29Å; D663-F667 PolarHBondContact O-N 3.15Å; V664-F667 PolarHBondContact O-N 3.12Å; D665-F667 VanDerWaalsContact C-N 3.33Å; D665-F667 PolarHBondContact O-N 3.44Å; F667-F671 HydrophobicContact CD1-CD2 4.38Å; F667-F671 AromaticContact CE1-CD2 3.85Å; F667-F671 HydrophobicContact CE1-CD2 3.85Å; F667-F671 AromaticContact CE1-CE2 3.94Å; F667-F671 HydrophobicContact CE1-CE2 3.94Å; F667-F671 HydrophobicContact CE2-CD2 4.05Å; F667-F671 AromaticContact CE2-CE2 3.83Å; F667-F671 HydrophobicContact CE2-CE2 3.83Å; F667-F671 AromaticContact CZ-CD2 3.68Å; F667-F671 HydrophobicContact CZ-CD2 3.68Å; F667-F671 AromaticContact CZ-CE2 3.36Å; F667-F671 HydrophobicContact CZ-CE2 3.36Å; F667-F671 HydrophobicContact CZ-CZ 4.4Å; F667-F671 PolarHBondContact O-N 3.11Å |
| 668 | L | 80.3 | Confident | 79.2 | Confident | 93 Ų | 93 | 119.7 Ų | 119.7 | 49% | 0.487 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.3 | -41.3 | 173.2 | -71.4 | 170.1 | 0 | 0 | 0 | 111.9 | V664 D665 F671 L672 | V664-L668 HydrophobicContact CG1-CD1 4.09Å; V664-L668 HydrophobicContact CG1-CG 4.42Å; V664-L668 WeakPolarHBondContact O-CB 3.27Å; V664-L668 VanDerWaalsContact O-CG 3.32Å; V664-L668 WeakPolarHBondContact O-CG 3.35Å; V664-L668 PolarHBondContact O-N 2.85Å; D665-L668 PolarHBondContact O-N 3.4Å; L668-F671 PolarHBondContact O-N 2.92Å; L668-L672 VanDerWaalsContact O-CG 3.3Å; L668-L672 WeakPolarHBondContact O-CG 3.48Å; L668-L672 PolarHBondContact O-N 2.93Å |
| 669 | E | 85.9 | Confident | 79.6 | Confident | 116 Ų | 116 | 115.6 Ų | 115.6 | 54% | 0.542 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.1 | -48.1 | 175.5 | -163.1 | 167 | -130.8 | 0 | 0 | 110.6 | D665 F671 L672 E673 | D665-E669 WeakPolarHBondContact O-CB 3.13Å; D665-E669 PolarHBondContact O-N 3.14Å; E669-F671 VanDerWaalsContact C-N 3.34Å; E669-F671 PolarHBondContact O-N 3.21Å; E669-L672 WeakPolarHBondContact O-CB 3.47Å; E669-L672 PolarHBondContact O-N 3.26Å; E669-L672 VanDerWaalsContact O-N 3.09Å; E669-E673 WeakPolarHBondContact O-CG 3.46Å; E669-E673 PolarHBondContact O-N 3.35Å |
| 670 | H | 86 | Confident | 79.5 | Confident | 115 Ų | 115 | 120.9 Ų | 120.9 | 53% | 0.532 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.6 | -36.7 | 174.7 | -171 | 53.7 | 0 | 0 | 0 | 113.3 | K666 L672 E673 L674 | K666-H670 WeakPolarHBondContact O-CB 3.49Å; K666-H670 PolarHBondContact O-N 3.43Å; H670-L672 VanDerWaalsContact C-N 3.31Å; H670-L672 PolarHBondContact O-N 3.43Å; H670-E673 PolarHBondContact O-N 2.94Å; H670-L674 WeakPolarHBondContact O-CB 3.43Å; H670-L674 PolarHBondContact O-N 3.12Å; H670-L674 VanDerWaalsContact O-N 3.13Å |
| 671 | F | 80.2 | Confident | 79.2 | Confident | 127 Ų | 127 | 121.9 Ų | 121.9 | 56% | 0.557 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.9 | -25.1 | 174.6 | -109.3 | -89.8 | 0 | 0 | 0 | 113.7 | F667 L668 E669 | F667-F671 HydrophobicContact CD1-CD2 4.38Å; F667-F671 AromaticContact CE1-CD2 3.85Å; F667-F671 HydrophobicContact CE1-CD2 3.85Å; F667-F671 AromaticContact CE1-CE2 3.94Å; F667-F671 HydrophobicContact CE1-CE2 3.94Å; F667-F671 HydrophobicContact CE2-CD2 4.05Å; F667-F671 AromaticContact CE2-CE2 3.83Å; F667-F671 HydrophobicContact CE2-CE2 3.83Å; F667-F671 AromaticContact CZ-CD2 3.68Å; F667-F671 HydrophobicContact CZ-CD2 3.68Å; F667-F671 AromaticContact CZ-CE2 3.36Å; F667-F671 HydrophobicContact CZ-CE2 3.36Å; F667-F671 HydrophobicContact CZ-CZ 4.4Å; F667-F671 PolarHBondContact O-N 3.11Å; L668-F671 PolarHBondContact O-N 2.92Å; E669-F671 VanDerWaalsContact C-N 3.34Å; E669-F671 PolarHBondContact O-N 3.21Å |
| 672 | L | 81.7 | Confident | 78.9 | Confident | 152 Ų | 152 | 120.5 Ų | 120.5 | 80% | 0.796 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -80.9 | -28.4 | 174.8 | -73.2 | 165.3 | 0 | 0 | 0 | 112.3 | L668 E669 H670 | L668-L672 VanDerWaalsContact O-CG 3.3Å; L668-L672 WeakPolarHBondContact O-CG 3.48Å; L668-L672 PolarHBondContact O-N 2.93Å; E669-L672 WeakPolarHBondContact O-CB 3.47Å; E669-L672 PolarHBondContact O-N 3.26Å; E669-L672 VanDerWaalsContact O-N 3.09Å; H670-L672 VanDerWaalsContact C-N 3.31Å; H670-L672 PolarHBondContact O-N 3.43Å |
| 673 | E | 87.7 | Confident | 78.5 | Confident | 143 Ų | 143 | 119.2 Ų | 119.2 | 67% | 0.668 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -87.6 | -7.4 | 175.8 | -66.8 | -175.6 | 158.7 | 0 | 0 | 113.8 | E669 H670 E675 | E669-E673 WeakPolarHBondContact O-CG 3.46Å; E669-E673 PolarHBondContact O-N 3.35Å; H670-E673 PolarHBondContact O-N 2.94Å; E673-E675 PolarHBondContact O-N 3.15Å; E673-E675 VanDerWaalsContact O-N 3.16Å |
| 674 | L | 83 | Confident | 77.4 | Confident | 82 Ų | 82 | 118.2 Ų | 118.2 | 43% | 0.429 | 59% | 0.589 | S | S | . | * | trans | -75.1 | 102.1 | -174.7 | -122.4 | 158 | 0 | 0 | 0 | 112 | H670 I676 | H670-L674 WeakPolarHBondContact O-CB 3.43Å; H670-L674 PolarHBondContact O-N 3.12Å; H670-L674 VanDerWaalsContact O-N 3.13Å; L674-I676 PolarHBondContact O-N 3.5Å | ||
| 675 | E | 81.3 | Confident | 76.3 | Confident | 183 Ų | 183 | 116.5 Ų | 116.5 | 86% | 0.855 | 58% | 0.584 | S | S | * | * | trans | -72.7 | 113.9 | 167.7 | -66.5 | -168.5 | 150.5 | 0 | 0 | 110 | E673 | E673-E675 PolarHBondContact O-N 3.15Å; E673-E675 VanDerWaalsContact O-N 3.16Å | ||
| 676 | I | 74.8 | Confident | 75.4 | Confident | 121 Ų | 121 | 112.6 Ų | 112.6 | 62% | 0.621 | 57% | 0.573 | S | S | * | * | trans | -75.7 | 127.1 | 174.4 | -56.7 | 173.8 | 0 | 0 | 0 | 108.2 | L674 Y680 | L674-I676 PolarHBondContact O-N 3.5Å; I676-Y680 HydrophobicContact CG2-CD1 4.15Å; I676-Y680 HydrophobicContact CG2-CG 4.09Å | ||
| 677 | P | 79.1 | Confident | 74.4 | Confident | 81 Ų | 81 | 112.8 Ų | 112.8 | 53% | 0.526 | 58% | 0.576 | S | S | . | * | trans | -56.2 | 136.3 | 175.2 | -26.8 | 36.1 | 0 | 0 | 0 | 112.6 | D679 Y680 | P677-D679 WeakPolarHBondContact CB-OD1 3.18Å; P677-D679 PolarHBondContact O-N 2.87Å; P677-D679 VanDerWaalsContact O-N 3.16Å; P677-Y680 VanDerWaalsContact O-CB 3.26Å; P677-Y680 WeakPolarHBondContact O-CB 3.38Å; P677-Y680 PolarHBondContact O-N 3.17Å; P677-Y680 VanDerWaalsContact O-N 3.08Å | ||
| 678 | D | 73 | Confident | 73.2 | Confident | 165 Ų | 165 | 110.7 Ų | 110.7 | 88% | 0.882 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -24.9 | -176.8 | -76.8 | -43.4 | 0 | 0 | 0 | 113 | ||
| 679 | D | 78.8 | Confident | 71.9 | Confident | 92 Ų | 92 | 113.8 Ų | 113.8 | 49% | 0.492 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.3 | -8.8 | 178.7 | 61 | -23.8 | 0 | 0 | 0 | 114.3 | P677 M681 E682 V683 | P677-D679 WeakPolarHBondContact CB-OD1 3.18Å; P677-D679 PolarHBondContact O-N 2.87Å; P677-D679 VanDerWaalsContact O-N 3.16Å; D679-M681 PolarHBondContact O-N 3.23Å; D679-M681 VanDerWaalsContact O-N 3.14Å; D679-E682 PolarHBondContact O-N 2.97Å; D679-V683 PolarHBondContact O-N 2.99Å; D679-V683 VanDerWaalsContact O-N 3.13Å |
| 680 | Y | 67.8 | Low | 70.3 | Confident | 133 Ų | 133 | 115.9 Ų | 115.9 | 52% | 0.522 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -54.8 | -37.3 | -179.3 | -179.9 | -102.4 | 0 | 0 | 0 | 113 | I676 P677 V684 | I676-Y680 HydrophobicContact CG2-CD1 4.15Å; I676-Y680 HydrophobicContact CG2-CG 4.09Å; P677-Y680 VanDerWaalsContact O-CB 3.26Å; P677-Y680 WeakPolarHBondContact O-CB 3.38Å; P677-Y680 PolarHBondContact O-N 3.17Å; P677-Y680 VanDerWaalsContact O-N 3.08Å; Y680-V684 HydrophobicContact CD1-CG2 4.29Å; Y680-V684 HydrophobicContact CD2-CG2 4.38Å; Y680-V684 HydrophobicContact CE1-CG2 3.84Å; Y680-V684 HydrophobicContact CE2-CG2 3.93Å; Y680-V684 WeakPolarHBondContact O-CG2 3.45Å; Y680-V684 PolarHBondContact O-N 3.35Å |
| 681 | M | 63.1 | Low | 68.7 | Low | 141 Ų | 141 | 115.7 Ų | 115.7 | 70% | 0.695 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.5 | -29.8 | 177.6 | -72.6 | -65 | -59.4 | 0 | 0 | 113.3 | D679 A685 | D679-M681 PolarHBondContact O-N 3.23Å; D679-M681 VanDerWaalsContact O-N 3.14Å; M681-A685 VanDerWaalsContact O-CB 3.28Å; M681-A685 WeakPolarHBondContact O-CB 3.26Å; M681-A685 PolarHBondContact O-N 3.17Å; M681-A685 VanDerWaalsContact O-N 3.13Å |
| 682 | E | 68 | Low | 67.4 | Low | 155 Ų | 155 | 112.9 Ų | 112.9 | 72% | 0.724 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.8 | -41.2 | 176.1 | -64.1 | -168.2 | 155.4 | 0 | 0 | 110.8 | D679 A685 G686 | D679-E682 PolarHBondContact O-N 2.97Å; E682-A685 PolarHBondContact O-N 2.82Å; E682-G686 PolarHBondContact O-N 2.76Å |
| 683 | V | 67.9 | Low | 66.1 | Low | 79 Ų | 79 | 111.7 Ų | 111.7 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.6 | -49.2 | 175.8 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | D679 A685 G686 E687 | D679-V683 PolarHBondContact O-N 2.99Å; D679-V683 VanDerWaalsContact O-N 3.13Å; V683-A685 VanDerWaalsContact C-N 3.31Å; V683-A685 PolarHBondContact O-N 2.85Å; V683-G686 PolarHBondContact O-N 3Å; V683-E687 PolarHBondContact O-N 2.64Å |
| 684 | V | 61.7 | Low | 64.7 | Low | 51 Ų | 51 | 109.4 Ų | 109.4 | 31% | 0.309 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.3 | -33.9 | 178.9 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | Y680 S688 | Y680-V684 HydrophobicContact CD1-CG2 4.29Å; Y680-V684 HydrophobicContact CD2-CG2 4.38Å; Y680-V684 HydrophobicContact CE1-CG2 3.84Å; Y680-V684 HydrophobicContact CE2-CG2 3.93Å; Y680-V684 WeakPolarHBondContact O-CG2 3.45Å; Y680-V684 PolarHBondContact O-N 3.35Å; V684-S688 VanDerWaalsContact O-CB 3.29Å; V684-S688 WeakPolarHBondContact O-CB 3.23Å; V684-S688 PolarHBondContact O-N 3.41Å; V684-S688 PolarHBondContact O-OG 3.48Å |
| 685 | A | 58 | Low | 63.4 | Low | 55 Ų | 55 | 108.4 Ų | 108.4 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.1 | -42.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M681 E682 V683 S688 E689 | M681-A685 VanDerWaalsContact O-CB 3.28Å; M681-A685 WeakPolarHBondContact O-CB 3.26Å; M681-A685 PolarHBondContact O-N 3.17Å; M681-A685 VanDerWaalsContact O-N 3.13Å; E682-A685 PolarHBondContact O-N 2.82Å; V683-A685 VanDerWaalsContact C-N 3.31Å; V683-A685 PolarHBondContact O-N 2.85Å; A685-S688 PolarHBondContact O-N 2.88Å; A685-E689 PolarHBondContact O-N 3Å; A685-E689 VanDerWaalsContact O-N 3.15Å |
| 686 | G | 64.2 | Low | 62.8 | Low | 42 Ų | 42 | 104.1 Ų | 104.1 | 43% | 0.433 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.9 | -47 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E682 V683 S688 E689 | E682-G686 PolarHBondContact O-N 2.76Å; V683-G686 PolarHBondContact O-N 3Å; G686-S688 VanDerWaalsContact C-N 3.28Å; G686-S688 PolarHBondContact O-N 2.93Å; G686-E689 PolarHBondContact O-N 2.93Å |
| 687 | E | 59.9 | Low | 62 | Low | 135 Ų | 135 | 103.3 Ų | 103.3 | 63% | 0.631 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.2 | -30.8 | 176.4 | -67 | -175.1 | 163.7 | 0 | 0 | 112.5 | V683 L691 | V683-E687 PolarHBondContact O-N 2.64Å; E687-L691 PolarHBondContact O-N 2.76Å |
| 688 | S | 54.2 | Low | 61.1 | Low | 63 Ų | 63 | 101.2 Ų | 101.2 | 44% | 0.441 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.7 | -32.6 | 178 | -62.6 | 0 | 0 | 0 | 0 | 113.1 | V684 A685 G686 L691 A692 | V684-S688 VanDerWaalsContact O-CB 3.29Å; V684-S688 WeakPolarHBondContact O-CB 3.23Å; V684-S688 PolarHBondContact O-N 3.41Å; V684-S688 PolarHBondContact O-OG 3.48Å; A685-S688 PolarHBondContact O-N 2.88Å; G686-S688 VanDerWaalsContact C-N 3.28Å; G686-S688 PolarHBondContact O-N 2.93Å; S688-L691 PolarHBondContact O-N 3.29Å; S688-A692 WeakPolarHBondContact O-CB 3.49Å; S688-A692 PolarHBondContact O-N 2.98Å |
| 689 | E | 52.7 | Low | 60.9 | Low | 159 Ų | 159 | 96.5 Ų | 96.5 | 74% | 0.743 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.8 | -36.6 | 176.6 | -73.7 | -162.3 | 153.6 | 0 | 0 | 112.4 | A685 G686 | A685-E689 PolarHBondContact O-N 3Å; A685-E689 VanDerWaalsContact O-N 3.15Å; G686-E689 PolarHBondContact O-N 2.93Å |
| 690 | E | 52.4 | Low | 60.2 | Low | 159 Ų | 159 | 94.2 Ų | 94.2 | 74% | 0.743 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.2 | -45.8 | 172.8 | -68.8 | -162.2 | 146.4 | 0 | 0 | 111.1 | A692 T693 | E690-A692 VanDerWaalsContact C-N 3.35Å; E690-A692 PolarHBondContact O-N 2.91Å; E690-T693 PolarHBondContact O-N 3.17Å; E690-T693 PolarHBondContact O-OG1 3.09Å |
| 691 | L | 52.8 | Low | 59.7 | Low | 111 Ų | 111 | 92.7 Ų | 92.7 | 58% | 0.581 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.7 | -30.3 | -177 | -146.2 | 76.9 | 0 | 0 | 0 | 113.3 | E687 S688 T693 S694 I695 | E687-L691 PolarHBondContact O-N 2.76Å; S688-L691 PolarHBondContact O-N 3.29Å; L691-T693 PolarHBondContact O-N 3.41Å; L691-S694 PolarHBondContact O-N 2.7Å; L691-S694 VanDerWaalsContact O-N 3.17Å; L691-I695 HydrophobicContact CD2-CD1 4.45Å; L691-I695 HydrophobicContact CG-CD1 4.45Å; L691-I695 WeakPolarHBondContact O-CG1 3.36Å |
| 692 | A | 52.4 | Low | 59.5 | Low | 69 Ų | 69 | 89.5 Ų | 89.5 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -18.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S688 E690 | S688-A692 WeakPolarHBondContact O-CB 3.49Å; S688-A692 PolarHBondContact O-N 2.98Å; E690-A692 VanDerWaalsContact C-N 3.35Å; E690-A692 PolarHBondContact O-N 2.91Å |
| 693 | T | 56.3 | Low | 59.2 | Low | 126 Ų | 126 | 86.5 Ų | 86.5 | 77% | 0.773 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -12.5 | 179.9 | 66.1 | 0 | 0 | 0 | 0 | 114.7 | E690 L691 | E690-T693 PolarHBondContact O-N 3.17Å; E690-T693 PolarHBondContact O-OG1 3.09Å; L691-T693 PolarHBondContact O-N 3.41Å |
| 694 | S | 56.9 | Low | 58.8 | Low | 95 Ų | 95 | 88.6 Ų | 88.6 | 66% | 0.664 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -118.4 | 7 | -175.6 | 80.6 | 0 | 0 | 0 | 0 | 115.5 | L691 | L691-S694 PolarHBondContact O-N 2.7Å; L691-S694 VanDerWaalsContact O-N 3.17Å |
| 695 | I | 55.6 | Low | 58.7 | Low | 61 Ų | 61 | 91.6 Ų | 91.6 | 31% | 0.313 | 54% | 0.543 | S | S | . | . | trans | -95 | 129.8 | -176 | -63.7 | 169.5 | 0 | 0 | 0 | 109.7 | L691 T699 A700 I703 | L691-I695 HydrophobicContact CD2-CD1 4.45Å; L691-I695 HydrophobicContact CG-CD1 4.45Å; L691-I695 WeakPolarHBondContact O-CG1 3.36Å; I695-T699 HydrophobicContact CG2-CG2 3.74Å; I695-A700 HydrophobicContact CG2-CB 4.07Å; I695-I703 HydrophobicContact CD1-CD1 4.46Å | ||
| 696 | D | 68.5 | Low | 58.3 | Low | 94 Ų | 94 | 92 Ų | 92 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | trans | -68.7 | 154.5 | 175.7 | 104 | 92.9 | 0 | 0 | 0 | 111.4 | G698 T699 A700 | D696-G698 VanDerWaalsContact C-N 3.25Å; D696-G698 PolarHBondContact O-N 2.77Å; D696-G698 PolarHBondContact OD1-N 2.95Å; D696-T699 PolarHBondContact O-N 2.97Å; D696-T699 VanDerWaalsContact O-N 3.13Å; D696-T699 WeakPolarHBondContact OD2-CB 3.15Å; D696-T699 PolarHBondContact OD2-N 3.3Å; D696-T699 PolarHBondContact OD2-OG1 3.23Å; D696-A700 PolarHBondContact O-N 3.45Å | ||
| 697 | S | 58.1 | Low | 57.9 | Low | 104 Ų | 104 | 93.1 Ų | 93.1 | 73% | 0.727 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.1 | -28.3 | -175 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | L701 | S697-L701 WeakPolarHBondContact O-CB 3.33Å; S697-L701 PolarHBondContact O-N 3.19Å |
| 698 | G | 61.8 | Low | 57.2 | Low | 36 Ų | 36 | 91.6 Ų | 91.6 | 37% | 0.371 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.1 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D696 S702 | D696-G698 VanDerWaalsContact C-N 3.25Å; D696-G698 PolarHBondContact O-N 2.77Å; D696-G698 PolarHBondContact OD1-N 2.95Å; G698-S702 WeakPolarHBondContact O-CB 3.39Å; G698-S702 PolarHBondContact O-N 3.25Å; G698-S702 VanDerWaalsContact O-N 3.09Å; G698-S702 PolarHBondContact O-OG 3.41Å |
| 699 | T | 67.6 | Low | 56.6 | Low | 67 Ų | 67 | 91.4 Ų | 91.4 | 41% | 0.411 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68 | -42.5 | 174.2 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | I695 D696 L701 S702 I703 | I695-T699 HydrophobicContact CG2-CG2 3.74Å; D696-T699 PolarHBondContact O-N 2.97Å; D696-T699 VanDerWaalsContact O-N 3.13Å; D696-T699 WeakPolarHBondContact OD2-CB 3.15Å; D696-T699 PolarHBondContact OD2-N 3.3Å; D696-T699 PolarHBondContact OD2-OG1 3.23Å; T699-L701 PolarHBondContact O-N 3.01Å; T699-S702 WeakPolarHBondContact O-CB 3.25Å; T699-S702 PolarHBondContact O-N 3.22Å; T699-S702 VanDerWaalsContact O-N 3.15Å; T699-I703 HydrophobicContact CG2-CD1 4.03Å; T699-I703 WeakPolarHBondContact O-CG1 3.08Å; T699-I703 PolarHBondContact O-N 3.41Å |
| 700 | A | 64.8 | Low | 55.8 | Low | 44 Ų | 44 | 89 Ų | 89 | 36% | 0.364 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.6 | -48.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I695 D696 S702 I703 E704 | I695-A700 HydrophobicContact CG2-CB 4.07Å; D696-A700 PolarHBondContact O-N 3.45Å; A700-S702 VanDerWaalsContact C-N 3.26Å; A700-S702 PolarHBondContact O-N 3.23Å; A700-I703 PolarHBondContact O-N 3.02Å; A700-E704 PolarHBondContact O-N 3.18Å |
| 701 | L | 56.5 | Low | 55.2 | Low | 101 Ų | 101 | 85.5 Ų | 85.5 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.6 | -34.2 | 176.9 | -159.4 | 89.6 | 0 | 0 | 0 | 112.4 | S697 T699 E704 L705 | S697-L701 WeakPolarHBondContact O-CB 3.33Å; S697-L701 PolarHBondContact O-N 3.19Å; T699-L701 PolarHBondContact O-N 3.01Å; L701-E704 PolarHBondContact O-N 3.34Å; L701-L705 HydrophobicContact CD2-CD1 4.27Å; L701-L705 HydrophobicContact CG-CD1 4.35Å; L701-L705 WeakPolarHBondContact O-CB 3.4Å; L701-L705 WeakPolarHBondContact O-CG 3.49Å; L701-L705 PolarHBondContact O-N 3.29Å |
| 702 | S | 59.1 | Low | 54.7 | Low | 74 Ų | 74 | 82.6 Ų | 82.6 | 52% | 0.517 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.8 | -37.4 | 177.5 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | G698 T699 A700 A706 | G698-S702 WeakPolarHBondContact O-CB 3.39Å; G698-S702 PolarHBondContact O-N 3.25Å; G698-S702 VanDerWaalsContact O-N 3.09Å; G698-S702 PolarHBondContact O-OG 3.41Å; T699-S702 WeakPolarHBondContact O-CB 3.25Å; T699-S702 PolarHBondContact O-N 3.22Å; T699-S702 VanDerWaalsContact O-N 3.15Å; A700-S702 VanDerWaalsContact C-N 3.26Å; A700-S702 PolarHBondContact O-N 3.23Å; S702-A706 WeakPolarHBondContact O-CB 3.13Å; S702-A706 PolarHBondContact O-N 3.04Å |
| 703 | I | 62.1 | Low | 54.4 | Low | 91 Ų | 91 | 82.8 Ų | 82.8 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 173.5 | -65.8 | 165.5 | 0 | 0 | 0 | 110.4 | I695 T699 A700 A706 S707 | I695-I703 HydrophobicContact CD1-CD1 4.46Å; T699-I703 HydrophobicContact CG2-CD1 4.03Å; T699-I703 WeakPolarHBondContact O-CG1 3.08Å; T699-I703 PolarHBondContact O-N 3.41Å; A700-I703 PolarHBondContact O-N 3.02Å; I703-A706 PolarHBondContact O-N 3.22Å; I703-S707 WeakPolarHBondContact O-CB 3.31Å; I703-S707 PolarHBondContact O-N 3.33Å; I703-S707 PolarHBondContact O-OG 3.12Å |
| 704 | E | 58.9 | Low | 54 | Low | 123 Ų | 123 | 80.7 Ų | 80.7 | 58% | 0.575 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.5 | -46.7 | 172.9 | -114.4 | -175.5 | 163.5 | 0 | 0 | 111.7 | A700 L701 A706 S707 T708 | A700-E704 PolarHBondContact O-N 3.18Å; L701-E704 PolarHBondContact O-N 3.34Å; E704-A706 VanDerWaalsContact C-N 3.31Å; E704-A706 PolarHBondContact O-N 2.99Å; E704-S707 WeakPolarHBondContact CA-OG 3.41Å; E704-S707 PolarHBondContact O-N 2.95Å; E704-S707 PolarHBondContact O-OG 3.14Å; E704-T708 VanDerWaalsContact O-CB 3.32Å; E704-T708 WeakPolarHBondContact O-CB 3.34Å; E704-T708 VanDerWaalsContact O-CG2 3.26Å; E704-T708 WeakPolarHBondContact O-CG2 3.45Å; E704-T708 PolarHBondContact O-N 2.74Å; E704-T708 PolarHBondContact O-OG1 3.03Å |
| 705 | L | 59.1 | Low | 53.6 | Low | 114 Ų | 114 | 82 Ų | 82 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -32.3 | 177.2 | -79.4 | 163.2 | 0 | 0 | 0 | 113.1 | L701 | L701-L705 HydrophobicContact CD2-CD1 4.27Å; L701-L705 HydrophobicContact CG-CD1 4.35Å; L701-L705 WeakPolarHBondContact O-CB 3.4Å; L701-L705 WeakPolarHBondContact O-CG 3.49Å; L701-L705 PolarHBondContact O-N 3.29Å |
| 706 | A | 51.4 | Low | 53.5 | Low | 64 Ų | 64 | 85 Ų | 85 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -74.9 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S702 I703 E704 | S702-A706 WeakPolarHBondContact O-CB 3.13Å; S702-A706 PolarHBondContact O-N 3.04Å; I703-A706 PolarHBondContact O-N 3.22Å; E704-A706 VanDerWaalsContact C-N 3.31Å; E704-A706 PolarHBondContact O-N 2.99Å |
| 707 | S | 54.2 | Low | 53.2 | Low | 66 Ų | 66 | 85.9 Ų | 85.9 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -76 | -38.9 | -177.9 | 53 | 0 | 0 | 0 | 0 | 113.1 | I703 E704 A709 T710 | I703-S707 WeakPolarHBondContact O-CB 3.31Å; I703-S707 PolarHBondContact O-N 3.33Å; I703-S707 PolarHBondContact O-OG 3.12Å; E704-S707 WeakPolarHBondContact CA-OG 3.41Å; E704-S707 PolarHBondContact O-N 2.95Å; E704-S707 PolarHBondContact O-OG 3.14Å; S707-A709 PolarHBondContact O-N 3.1Å; S707-T710 PolarHBondContact O-N 3.19Å; S707-T710 VanDerWaalsContact O-N 3.15Å |
| 708 | T | 45.7 | Very low | 53.2 | Low | 102 Ų | 102 | 83.7 Ų | 83.7 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64 | -23.2 | 175.7 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | E704 T710 | E704-T708 VanDerWaalsContact O-CB 3.32Å; E704-T708 WeakPolarHBondContact O-CB 3.34Å; E704-T708 VanDerWaalsContact O-CG2 3.26Å; E704-T708 WeakPolarHBondContact O-CG2 3.45Å; E704-T708 PolarHBondContact O-N 2.74Å; E704-T708 PolarHBondContact O-OG1 3.03Å; T708-T710 VanDerWaalsContact C-N 3.29Å; T708-T710 PolarHBondContact O-N 3.08Å |
| 709 | A | 41.9 | Very low | 53.2 | Low | 60 Ų | 60 | 84.4 Ų | 84.4 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S707 | S707-A709 PolarHBondContact O-N 3.1Š|
| 710 | T | 36.3 | Very low | 53.2 | Low | 109 Ų | 109 | 89.4 Ų | 89.4 | 67% | 0.669 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.3 | 53.5 | -172.7 | 46.6 | 0 | 0 | 0 | 0 | 114.4 | S707 T708 A712 | S707-T710 PolarHBondContact O-N 3.19Å; S707-T710 VanDerWaalsContact O-N 3.15Å; T708-T710 VanDerWaalsContact C-N 3.29Å; T708-T710 PolarHBondContact O-N 3.08Å; T710-A712 PolarHBondContact O-N 2.83Å |
| 711 | S | 39.6 | Very low | 53.3 | Low | 84 Ų | 84 | 94.1 Ų | 94.1 | 59% | 0.587 | 56% | 0.555 | S | S | * | * | trans | -72.4 | 72 | 169 | -167 | 0 | 0 | 0 | 0 | 112.4 | P714 | S711-P714 WeakPolarHBondContact OG-CD 3.26Š| ||
| 712 | A | 41.2 | Very low | 53.5 | Low | 51 Ų | 51 | 98.1 Ų | 98.1 | 42% | 0.421 | 56% | 0.563 | S | S | . | * | trans | -79.8 | -20.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | T710 L715 L716 | T710-A712 PolarHBondContact O-N 2.83Å; A712-L715 PolarHBondContact O-N 3.08Å; A712-L716 PolarHBondContact O-N 2.68Å | ||
| 713 | A | 46 | Very low | 54 | Low | 72 Ų | 72 | 104.3 Ų | 104.3 | 60% | 0.595 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.7 | -44.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | L715 L716 L717 | A713-L715 VanDerWaalsContact C-N 3.32Å; A713-L715 PolarHBondContact O-N 3.25Å; A713-L716 PolarHBondContact O-N 2.95Å; A713-L717 PolarHBondContact O-N 3.09Å |
| 714 | P | 49.6 | Very low | 54.4 | Low | 82 Ų | 82 | 105.5 Ų | 105.5 | 53% | 0.532 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.1 | -36.6 | 176.4 | -20.3 | 33.5 | 0 | 0 | 0 | 112.4 | S711 A718 | S711-P714 WeakPolarHBondContact OG-CD 3.26Å; P714-A718 WeakPolarHBondContact O-CB 3.27Å; P714-A718 PolarHBondContact O-N 3.34Å |
| 715 | L | 46.8 | Very low | 54.6 | Low | 124 Ų | 124 | 105.4 Ų | 105.4 | 65% | 0.649 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.3 | -42.1 | 177.5 | -89.8 | 164.3 | 0 | 0 | 0 | 112.1 | A712 A713 A718 A719 | A712-L715 PolarHBondContact O-N 3.08Å; A713-L715 VanDerWaalsContact C-N 3.32Å; A713-L715 PolarHBondContact O-N 3.25Å; L715-A718 PolarHBondContact O-N 3.27Å; L715-A719 VanDerWaalsContact O-CB 3.3Å; L715-A719 WeakPolarHBondContact O-CB 3.27Å; L715-A719 PolarHBondContact O-N 2.94Å |
| 716 | L | 54.3 | Low | 54.9 | Low | 124 Ų | 124 | 105 Ų | 105 | 65% | 0.649 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.2 | -42 | 174.5 | -88.7 | 164.8 | 0 | 0 | 0 | 112 | A712 A713 A719 R720 | A712-L716 PolarHBondContact O-N 2.68Å; A713-L716 PolarHBondContact O-N 2.95Å; L716-A719 PolarHBondContact O-N 3.03Å; L716-R720 WeakPolarHBondContact O-CB 3.49Å; L716-R720 PolarHBondContact O-N 3.28Å |
| 717 | L | 62.1 | Low | 55.6 | Low | 111 Ų | 111 | 104.4 Ų | 104.4 | 58% | 0.581 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.1 | -41.1 | 177 | -166.9 | 69.7 | 0 | 0 | 0 | 111.8 | A713 R720 K721 | A713-L717 PolarHBondContact O-N 3.09Å; L717-R720 PolarHBondContact O-N 3.45Å; L717-K721 PolarHBondContact O-N 2.68Å |
| 718 | A | 57.9 | Low | 56.3 | Low | 58 Ų | 58 | 106.8 Ų | 106.8 | 48% | 0.479 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.4 | -41.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P714 L715 R722 | P714-A718 WeakPolarHBondContact O-CB 3.27Å; P714-A718 PolarHBondContact O-N 3.34Å; L715-A718 PolarHBondContact O-N 3.27Å; A718-R722 WeakPolarHBondContact O-CB 3.49Å; A718-R722 PolarHBondContact O-N 3.06Å |
| 719 | A | 61.6 | Low | 56.9 | Low | 51 Ų | 51 | 106.8 Ų | 106.8 | 42% | 0.421 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.3 | -39.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L715 L716 R722 R723 | L715-A719 VanDerWaalsContact O-CB 3.3Å; L715-A719 WeakPolarHBondContact O-CB 3.27Å; L715-A719 PolarHBondContact O-N 2.94Å; L716-A719 PolarHBondContact O-N 3.03Å; A719-R722 PolarHBondContact O-N 3.5Å; A719-R723 PolarHBondContact O-N 2.94Å |
| 720 | R | 67.7 | Low | 57.5 | Low | 173 Ų | 173 | 107.7 Ų | 107.7 | 65% | 0.653 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.1 | -46 | 175.9 | -166.1 | 173.7 | -175.6 | 174.9 | 0.9 | 111.3 | L716 L717 R722 R723 Q724 | L716-R720 WeakPolarHBondContact O-CB 3.49Å; L716-R720 PolarHBondContact O-N 3.28Å; L717-R720 PolarHBondContact O-N 3.45Å; R720-R722 PolarHBondContact O-N 2.81Å; R720-R723 PolarHBondContact O-N 3.11Å; R720-Q724 PolarHBondContact O-N 3.3Å |
| 721 | K | 67.8 | Low | 58.3 | Low | 142 Ų | 142 | 109.7 Ų | 109.7 | 62% | 0.617 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.1 | -44.4 | 172 | -82.3 | -169.8 | 173.3 | -176.6 | 0 | 112 | L717 R723 Q724 Q725 | L717-K721 PolarHBondContact O-N 2.68Å; K721-R723 PolarHBondContact O-N 2.7Å; K721-Q724 PolarHBondContact O-N 2.87Å; K721-Q725 PolarHBondContact O-N 3Å |
| 722 | R | 59.8 | Low | 58.8 | Low | 186 Ų | 186 | 109.8 Ų | 109.8 | 70% | 0.702 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.7 | -36.8 | 178.5 | -166 | 174.9 | -175.1 | 177.8 | 2.2 | 112.7 | A718 A719 R720 L726 | A718-R722 WeakPolarHBondContact O-CB 3.49Å; A718-R722 PolarHBondContact O-N 3.06Å; A719-R722 PolarHBondContact O-N 3.5Å; R720-R722 PolarHBondContact O-N 2.81Å; R722-L726 HydrophobicContact CG-CD1 4.37Å; R722-L726 WeakPolarHBondContact O-CG 3.46Å; R722-L726 PolarHBondContact O-N 3.42Å; R722-L726 VanDerWaalsContact O-N 3.08Å |
| 723 | R | 69.5 | Low | 58.7 | Low | 203 Ų | 203 | 110 Ų | 110 | 77% | 0.766 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.3 | -41.9 | 171.7 | -84.7 | -172.6 | 175.1 | -180 | -0.1 | 112.4 | A719 R720 K721 L726 A727 | A719-R723 PolarHBondContact O-N 2.94Å; R720-R723 PolarHBondContact O-N 3.11Å; K721-R723 PolarHBondContact O-N 2.7Å; R723-L726 PolarHBondContact O-N 3.25Å; R723-A727 WeakPolarHBondContact O-CB 3.37Å; R723-A727 PolarHBondContact O-N 2.9Å |
| 724 | Q | 70.8 | Confident | 58.3 | Low | 116 Ų | 116 | 115.3 Ų | 115.3 | 54% | 0.542 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.1 | -41.6 | 175.4 | -76.5 | 179 | -28.8 | 0 | 0 | 112.1 | R720 K721 A727 L728 | R720-Q724 PolarHBondContact O-N 3.3Å; K721-Q724 PolarHBondContact O-N 2.87Å; Q724-A727 PolarHBondContact O-N 3.04Å; Q724-L728 WeakPolarHBondContact O-CG 3.4Å; Q724-L728 PolarHBondContact O-N 2.61Å; Q724-L728 VanDerWaalsContact O-N 3.1Å |
| 725 | Q | 62.8 | Low | 57.5 | Low | 121 Ų | 121 | 114.6 Ų | 114.6 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -59.4 | -50 | 175 | -156.4 | 83.6 | 39.2 | 0 | 0 | 111.4 | K721 A727 L728 D729 | K721-Q725 PolarHBondContact O-N 3Å; Q725-A727 VanDerWaalsContact C-N 3.31Å; Q725-A727 PolarHBondContact O-N 3.13Å; Q725-L728 PolarHBondContact O-N 3.49Å; Q725-D729 PolarHBondContact O-N 3.43Å |
| 726 | L | 65.3 | Low | 56.8 | Low | 106 Ų | 106 | 116.9 Ų | 116.9 | 56% | 0.555 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.3 | -31.1 | 179.2 | -71.9 | 168.4 | 0 | 0 | 0 | 113.3 | R722 R723 S730 | R722-L726 HydrophobicContact CG-CD1 4.37Å; R722-L726 WeakPolarHBondContact O-CG 3.46Å; R722-L726 PolarHBondContact O-N 3.42Å; R722-L726 VanDerWaalsContact O-N 3.08Å; R723-L726 PolarHBondContact O-N 3.25Å; L726-S730 VanDerWaalsContact O-CB 3.24Å; L726-S730 WeakPolarHBondContact O-CB 3.34Å; L726-S730 PolarHBondContact O-N 2.83Å |
| 727 | A | 66.3 | Low | 55.7 | Low | 52 Ų | 52 | 122.6 Ų | 122.6 | 43% | 0.43 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.4 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | R723 Q724 Q725 S730 L731 | R723-A727 WeakPolarHBondContact O-CB 3.37Å; R723-A727 PolarHBondContact O-N 2.9Å; Q724-A727 PolarHBondContact O-N 3.04Å; Q725-A727 VanDerWaalsContact C-N 3.31Å; Q725-A727 PolarHBondContact O-N 3.13Å; A727-S730 PolarHBondContact O-N 3.09Å; A727-L731 PolarHBondContact O-N 3.11Å; A727-L731 VanDerWaalsContact O-N 3.16Å |
| 728 | L | 68.6 | Low | 54.2 | Low | 116 Ų | 116 | 121.3 Ų | 121.3 | 61% | 0.607 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.6 | -45.2 | 174.7 | -72.2 | 167.1 | 0 | 0 | 0 | 111.7 | Q724 Q725 S730 L731 A732 | Q724-L728 WeakPolarHBondContact O-CG 3.4Å; Q724-L728 PolarHBondContact O-N 2.61Å; Q724-L728 VanDerWaalsContact O-N 3.1Å; Q725-L728 PolarHBondContact O-N 3.49Å; L728-S730 VanDerWaalsContact C-N 3.3Å; L728-S730 PolarHBondContact O-N 3.33Å; L728-L731 PolarHBondContact O-N 2.88Å; L728-A732 PolarHBondContact O-N 3.23Å; L728-A732 VanDerWaalsContact O-N 3.1Å |
| 729 | D | 59.8 | Low | 53 | Low | 101 Ų | 101 | 123.9 Ų | 123.9 | 54% | 0.54 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -64.3 | -35.1 | 177.2 | -68.2 | -24 | 0 | 0 | 0 | 112 | Q725 A732 G733 | Q725-D729 PolarHBondContact O-N 3.43Å; D729-A732 PolarHBondContact O-N 3.35Å; D729-G733 PolarHBondContact O-N 3.42Å |
| 730 | S | 53.8 | Low | 51.7 | Low | 80 Ų | 80 | 128.2 Ų | 128.2 | 56% | 0.559 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -65.8 | -41.9 | 176.1 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | L726 A727 L728 G733 | L726-S730 VanDerWaalsContact O-CB 3.24Å; L726-S730 WeakPolarHBondContact O-CB 3.34Å; L726-S730 PolarHBondContact O-N 2.83Å; A727-S730 PolarHBondContact O-N 3.09Å; L728-S730 VanDerWaalsContact C-N 3.3Å; L728-S730 PolarHBondContact O-N 3.33Å; S730-G733 PolarHBondContact O-N 3.44Å |
| 731 | L | 53.3 | Low | 50 | Low | 151 Ų | 151 | 123.8 Ų | 123.8 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -71.9 | -27.8 | 178.4 | -78.9 | 162.9 | 0 | 0 | 0 | 113 | A727 L728 G733 | A727-L731 PolarHBondContact O-N 3.11Å; A727-L731 VanDerWaalsContact O-N 3.16Å; L728-L731 PolarHBondContact O-N 2.88Å; L731-G733 VanDerWaalsContact C-N 3.34Å |
| 732 | A | 50.4 | Low | 48.2 | Very low | 86 Ų | 86 | 124.1 Ų | 124.1 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -77.1 | -16.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | L728 D729 | L728-A732 PolarHBondContact O-N 3.23Å; L728-A732 VanDerWaalsContact O-N 3.1Å; D729-A732 PolarHBondContact O-N 3.35Å |
| 733 | G | 39.1 | Very low | 46.9 | Very low | 56 Ų | 56 | 125 Ų | 125 | 58% | 0.577 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -87.1 | -5.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | D729 S730 L731 | D729-G733 PolarHBondContact O-N 3.42Å; S730-G733 PolarHBondContact O-N 3.44Å; L731-G733 VanDerWaalsContact C-N 3.34Å |
| 734 | H | 36.7 | Very low | 45 | Very low | 183 Ų | 183 | 119.9 Ų | 119.9 | 85% | 0.847 | 70% | 0.699 | S | S | * | * | trans | -111.9 | 76.4 | -173 | -79.9 | 77.9 | 0 | 0 | 0 | 113.1 | ||||
| 735 | G | 32.8 | Very low | 43.1 | Very low | 67 Ų | 67 | 123.3 Ų | 123.3 | 69% | 0.691 | 71% | 0.712 | S | S | * | * | trans | -148.2 | 106.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 736 | N | 33.1 | Very low | 41.6 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 92% | 0.92 | 72% | 0.722 | S | S | * | * | trans | 64.6 | 112.2 | 166.7 | -70.1 | -17.3 | 0 | 0 | 0 | 120.6 | ||||
| 737 | R | 29.6 | Very low | 40.1 | Very low | 243 Ų | 243 | 130.8 Ų | 130.8 | 92% | 0.917 | 74% | 0.738 | S | S | * | * | trans | -65.5 | 143.8 | 163.2 | -92.7 | 171.9 | 161 | 167 | -6.4 | 113.2 | ||||
| 738 | A | 32.2 | Very low | 38.6 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | trans | 69.2 | 130.2 | 131.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 739 | S | 32 | Very low | 36.9 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 98.6 | 150.5 | 139.8 | 81.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 740 | V | 33.4 | Very low | 35.6 | Very low | 142 Ų | 142 | 142 Ų | 142 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | 82.6 | 125.5 | 171.8 | -165.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 741 | A | 33.1 | Very low | 34.8 | Very low | 81 Ų | 81 | 146.3 Ų | 146.3 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | trans | -92.6 | 169.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 742 | N | 30.3 | Very low | 33.9 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 48.7 | 101.5 | 156.6 | -72.6 | -11.9 | 0 | 0 | 0 | 117.9 | ||||
| 743 | Q | 33 | Very low | 33.3 | Very low | 205 Ų | 205 | 149.3 Ų | 149.3 | 96% | 0.958 | 79% | 0.789 | S | S | * | * | -163.4 | 164.7 | 113.3 | -108.6 | 160.9 | 83.9 | 0 | 0 | 113.8 | |||||
| 744 | S | 29 | Very low | 33.2 | Very low | 94 Ų | 94 | 150.1 Ų | 150.1 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | trans | -107.3 | 161.5 | -164.4 | 69.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 745 | K | 31.4 | Very low | 33.1 | Very low | 189 Ų | 189 | 151.8 Ų | 151.8 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 75.4 | 128.5 | 158.8 | -61.1 | 170 | 177.8 | 175.4 | 0 | 118.7 | ||||
| 746 | L | 31.4 | Very low | 33.1 | Very low | 149 Ų | 149 | 152.1 Ų | 152.1 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | 131.8 | 127.9 | 110.7 | -148.5 | 77.6 | 0 | 0 | 0 | 115.6 | |||||
| 747 | R | 33.6 | Very low | 33.3 | Very low | 235 Ų | 235 | 151.9 Ų | 151.9 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | 124.5 | 103.1 | 164.6 | -75 | 171.1 | 172.9 | -159.5 | -3.1 | 110.3 | ||||
| 748 | K | 33.3 | Very low | 33.8 | Very low | 177 Ų | 177 | 145.2 Ų | 145.2 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | cis | 78.3 | 100 | 28.2 | -140.6 | -170.8 | -167.4 | -170.3 | 0 | 114.9 | T750 | K748-T750 HydrophobicContact CG-CG2 4.06Š| ||
| 749 | R | 33.3 | Very low | 34.1 | Very low | 241 Ų | 241 | 149.6 Ų | 149.6 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -159.3 | 103 | 150.6 | -94.1 | -177 | 168.1 | -177.4 | -5.5 | 104.3 | ||||
| 750 | T | 33.3 | Very low | 34.3 | Very low | 85 Ų | 85 | 151.3 Ų | 151.3 | 52% | 0.521 | 80% | 0.795 | S | S | . | * | 55.9 | 108.4 | 50.7 | 70.4 | 0 | 0 | 0 | 0 | 115 | K748 | K748-T750 HydrophobicContact CG-CG2 4.06Š| |||
| 751 | N | 36.8 | Very low | 34.5 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | -133.4 | 139.1 | 125.5 | -95.8 | -11.9 | 0 | 0 | 0 | 108.2 | |||||
| 752 | L | 34.8 | Very low | 34.5 | Very low | 140 Ų | 140 | 158.6 Ų | 158.6 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -98 | 156.7 | 173.9 | -79.8 | 76.6 | 0 | 0 | 0 | 109.1 | ||||
| 753 | N | 37.1 | Very low | 34.8 | Very low | 160 Ų | 160 | 160 Ų | 160 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | 175 | 157.4 | 120 | -81.9 | -13 | 0 | 0 | 0 | 108.7 | |||||
| 754 | A | 37.2 | Very low | 35 | Very low | 74 Ų | 74 | 158.6 Ų | 158.6 | 61% | 0.612 | 80% | 0.801 | S | S | * | * | cis | 170.4 | 122.5 | -39.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 755 | F | 34.6 | Very low | 35.5 | Very low | 218 Ų | 218 | 162 Ų | 162 | 96% | 0.956 | 81% | 0.811 | S | S | * | * | trans | 65.4 | 137 | 168.5 | -72.3 | -85.3 | 0 | 0 | 0 | 120.3 | ||||
| 756 | G | 33.6 | Very low | 35.8 | Very low | 73 Ų | 73 | 159.3 Ų | 159.3 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | 164.3 | 94.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 757 | D | 35.4 | Very low | 36 | Very low | 168 Ų | 168 | 158.2 Ų | 158.2 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -82 | 130.2 | 166.6 | -77.2 | -50 | 0 | 0 | 0 | 110 | ||||
| 758 | S | 41.4 | Very low | 36.2 | Very low | 102 Ų | 102 | 153.6 Ų | 153.6 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -180 | 111.5 | 156.5 | 52.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 759 | E | 38 | Very low | 36.4 | Very low | 177 Ų | 177 | 151.6 Ų | 151.6 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | 67.5 | 121.3 | 86.1 | -71.4 | -175.2 | 160.1 | 0 | 0 | 112.8 | |||||
| 760 | D | 35.8 | Very low | 36.8 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | 80.7 | 147.8 | 158.1 | -51.2 | -28.1 | 0 | 0 | 0 | 121.3 | ||||
| 761 | E | 37.7 | Very low | 36.9 | Very low | 179 Ų | 179 | 146.5 Ų | 146.5 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | 73.8 | 71.3 | 167.5 | -52.9 | -174.7 | -177.9 | 0 | 0 | 117.5 | E763 | E761-E763 PolarHBondContact O-N 3.21Š| ||
| 762 | E | 34.1 | Very low | 36.9 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | trans | -75.4 | 107 | 147.7 | -76 | -172.5 | 162.6 | 0 | 0 | 108.1 | E764 | E762-E764 PolarHBondContact O-N 3.14Š| ||
| 763 | E | 37 | Very low | 37 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | -65 | 125.6 | 177.2 | -66 | 177.7 | 131.2 | 0 | 0 | 110.6 | E761 D765 | E761-E763 PolarHBondContact O-N 3.21Å; E763-D765 PolarHBondContact O-N 3.08Å | ||
| 764 | E | 36.4 | Very low | 37 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | trans | -76 | 103.4 | 173.8 | -67 | -178.6 | 139.6 | 0 | 0 | 109.2 | E762 D766 | E762-E764 PolarHBondContact O-N 3.14Å; E764-D766 VanDerWaalsContact C-N 3.33Å; E764-D766 PolarHBondContact O-N 2.63Å | ||
| 765 | D | 39.8 | Very low | 36.7 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | trans | -67 | 89 | 169.5 | -88.4 | -37.4 | 0 | 0 | 0 | 109.7 | E763 D767 | E763-D765 PolarHBondContact O-N 3.08Å; D765-D767 PolarHBondContact O-N 3.13Å; D765-D767 VanDerWaalsContact O-N 3.12Å | ||
| 766 | D | 37.6 | Very low | 36.7 | Very low | 133 Ų | 133 | 140 Ų | 140 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | -63.1 | 104.5 | 171.9 | -83.6 | -37.5 | 0 | 0 | 0 | 110.9 | E764 D768 | E764-D766 VanDerWaalsContact C-N 3.33Å; E764-D766 PolarHBondContact O-N 2.63Å; D766-D768 PolarHBondContact O-N 3.36Å; D766-D768 VanDerWaalsContact O-N 3.09Å | ||
| 767 | D | 35.8 | Very low | 36.7 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 68% | 0.679 | 71% | 0.714 | S | S | * | * | trans | -81.9 | 54.4 | 165.7 | -100 | -21.9 | 0 | 0 | 0 | 110.9 | R314 D765 | R314-D767 IonicContact CZ-OD1 2.81Å; R314-D767 IonicContact NH1-OD1 2.65Å; R314-D767 PolarHBondContact NH1-OD1 2.97Å; R314-D767 IonicContact NH2-OD1 2.87Å; R314-D767 PolarHBondContact NH2-OD1 2.92Å; D765-D767 PolarHBondContact O-N 3.13Å; D765-D767 VanDerWaalsContact O-N 3.12Å | ||
| 768 | D | 36.5 | Very low | 36.6 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | trans | -115.9 | 101.7 | 163.4 | -99.2 | -20 | 0 | 0 | 0 | 107.6 | D766 | D766-D768 PolarHBondContact O-N 3.36Å; D766-D768 VanDerWaalsContact O-N 3.09Å | ||
| 769 | D | 39 | Very low | 36.4 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | trans | 165.9 | 135.7 | 164.3 | -91.7 | -17.4 | 0 | 0 | 0 | 107.5 | ||||
| 770 | D | 41.4 | Very low | 36.2 | Very low | 53 Ų | 53 | 132.9 Ų | 132.9 | 28% | 0.283 | 69% | 0.686 | S | S | . | * | cis | -146.6 | 128.6 | 21.3 | -80.2 | -63.9 | 0 | 0 | 0 | 112.2 | E772 | D770-E772 HydrophobicContact CB-CB 3.87Å; D770-E772 HydrophobicContact CB-CG 3.89Å; D770-E772 PolarHBondContact O-N 2.95Å; D770-E772 WeakPolarHBondContact OD1-CG 3.39Å | ||
| 771 | D | 35.2 | Very low | 36 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 89% | 0.888 | 68% | 0.68 | S | S | * | * | trans | -80.5 | 46.2 | 153.3 | -88.4 | -45.4 | 0 | 0 | 0 | 110.6 | D773 | D771-D773 VanDerWaalsContact C-N 3.31Å; D771-D773 PolarHBondContact O-N 3.06Å | ||
| 772 | E | 36 | Very low | 35.7 | Very low | 81 Ų | 81 | 123.9 Ų | 123.9 | 38% | 0.379 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.9 | 65.4 | -179 | -79.3 | -155.6 | 132.5 | 0 | 0 | 113.8 | Q315 D770 R775 | Q315-E772 PolarHBondContact NE2-OE2 2.71Å; D770-E772 HydrophobicContact CB-CB 3.87Å; D770-E772 HydrophobicContact CB-CG 3.89Å; D770-E772 PolarHBondContact O-N 2.95Å; D770-E772 WeakPolarHBondContact OD1-CG 3.39Å; E772-R775 IonicContact OE1-CZ 2.71Å; E772-R775 IonicContact OE1-NH1 4Å; E772-R775 PolarHBondContact OE1-NH1 3.38Å |
| 773 | D | 37.1 | Very low | 35.6 | Very low | 143 Ų | 143 | 123.2 Ų | 123.2 | 77% | 0.765 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.5 | -5.8 | 154.6 | -124.1 | -23 | 0 | 0 | 0 | 112.5 | D771 | D771-D773 VanDerWaalsContact C-N 3.31Å; D771-D773 PolarHBondContact O-N 3.06Å |
| 774 | E | 36.8 | Very low | 35.2 | Very low | 142 Ų | 142 | 122 Ų | 122 | 66% | 0.664 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -91.8 | -10.7 | -174 | -155.4 | 163.9 | -138.4 | 0 | 0 | 114.6 | A776 A777 A778 | E774-A776 PolarHBondContact O-N 2.86Å; E774-A776 VanDerWaalsContact O-N 3.09Å; E774-A777 HydrophobicContact CG-CB 4.18Å; E774-A777 CarbonylContact O-C 3.53Å; E774-A777 WeakPolarHBondContact O-CA 3.21Å; E774-A777 PolarHBondContact O-N 3.19Å; E774-A778 PolarHBondContact O-N 3.28Å |
| 775 | R | 31.3 | Very low | 34.8 | Very low | 204 Ų | 204 | 121.6 Ų | 121.6 | 77% | 0.77 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -62.6 | -17.4 | 176.5 | -101.9 | 176.6 | 173.3 | 156.3 | -0.6 | 114.6 | E772 | E772-R775 IonicContact OE1-CZ 2.71Å; E772-R775 IonicContact OE1-NH1 4Å; E772-R775 PolarHBondContact OE1-NH1 3.38Å |
| 776 | A | 35.1 | Very low | 34.2 | Very low | 58 Ų | 58 | 116.7 Ų | 116.7 | 48% | 0.479 | 66% | 0.662 | S | S | . | * | G | 310 helix | trans | -83.4 | -15.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V89 E774 | V89-A776 HydrophobicContact CG2-CB 4.48Å; E774-A776 PolarHBondContact O-N 2.86Å; E774-A776 VanDerWaalsContact O-N 3.09Å |
| 777 | A | 34.4 | Very low | 33.8 | Very low | 48 Ų | 48 | 116.5 Ų | 116.5 | 40% | 0.397 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.3 | -22.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E774 L779 L780 | E774-A777 HydrophobicContact CG-CB 4.18Å; E774-A777 CarbonylContact O-C 3.53Å; E774-A777 WeakPolarHBondContact O-CA 3.21Å; E774-A777 PolarHBondContact O-N 3.19Å; A777-L779 PolarHBondContact O-N 3.22Å; A777-L780 WeakPolarHBondContact O-CB 3.46Å; A777-L780 PolarHBondContact O-N 3.41Å |
| 778 | A | 33.1 | Very low | 33.5 | Very low | 59 Ų | 59 | 113.9 Ų | 113.9 | 49% | 0.488 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -61.2 | -1.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | E774 L780 | E774-A778 PolarHBondContact O-N 3.28Å; A778-L780 PolarHBondContact O-N 3Å |
| 779 | L | 37.1 | Very low | 33.2 | Very low | 134 Ų | 134 | 112.8 Ų | 112.8 | 70% | 0.702 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -71.2 | 3.6 | 160.4 | -83.3 | 168.2 | 0 | 0 | 0 | 113 | A777 | A777-L779 PolarHBondContact O-N 3.22Š|
| 780 | L | 33.1 | Very low | 32.8 | Very low | 128 Ų | 128 | 114.1 Ų | 114.1 | 67% | 0.67 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -130 | 14.6 | -174.8 | -64.2 | 170.3 | 0 | 0 | 0 | 116.2 | A777 A778 | A777-L780 WeakPolarHBondContact O-CB 3.46Å; A777-L780 PolarHBondContact O-N 3.41Å; A778-L780 PolarHBondContact O-N 3Å |
| 781 | G | 31.9 | Very low | 32.2 | Very low | 65 Ų | 65 | 117.8 Ų | 117.8 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | trans | 124.1 | 169.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 782 | G | 30.8 | Very low | 31.9 | Very low | 74 Ų | 74 | 121.1 Ų | 121.1 | 76% | 0.763 | 70% | 0.698 | S | S | * | * | trans | -175.5 | -166.2 | -179 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 783 | Q | 31.4 | Very low | 31.4 | Very low | 182 Ų | 182 | 124.6 Ų | 124.6 | 85% | 0.85 | 72% | 0.72 | S | S | * | * | trans | 88.2 | 113.8 | -177.2 | -60.8 | -166.4 | -38.6 | 0 | 0 | 116.1 | ||||
| 784 | I | 29.3 | Very low | 31.5 | Very low | 152 Ų | 152 | 122.6 Ų | 122.6 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | 87.5 | 134.8 | 69.4 | -80.4 | 170.6 | 0 | 0 | 0 | 112.3 | |||||
| 785 | L | 27.3 | Very low | 31 | Very low | 168 Ų | 168 | 123.8 Ų | 123.8 | 88% | 0.88 | 72% | 0.724 | S | S | * | * | cis | -159.4 | 177.4 | 8.2 | -131.5 | 174.8 | 0 | 0 | 0 | 110.6 | ||||
| 786 | G | 28.6 | Very low | 30.7 | Very low | 61 Ų | 61 | 119 Ų | 119 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | trans | 149.3 | 73.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 787 | S | 29.6 | Very low | 30.3 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | trans | 48.4 | 135.6 | 138.7 | 66.5 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 788 | G | 29.6 | Very low | 30 | Very low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | 154.1 | 83.2 | 144.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 789 | S | 29.5 | Very low | 29.5 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 11.2 | 147.7 | 146.5 | 68.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 790 | E | 30.2 | Very low | 29 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | cis | -166 | 150.5 | 45.8 | -84 | -165.9 | 141.9 | 0 | 0 | 115.6 | ||||
| 791 | L | 28.3 | Very low | 28.7 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | trans | 61.8 | 104.6 | 135.6 | -67.9 | 172.1 | 0 | 0 | 0 | 124.3 | ||||
| 792 | R | 29.2 | Very low | 28.2 | Very low | 236 Ų | 236 | 128.9 Ų | 128.9 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | 151.6 | 135.3 | 102.4 | -94.3 | 167 | -174 | -149.7 | 0.5 | 114.3 | |||||
| 793 | N | 25 | Very low | 28.1 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -125.3 | -169.6 | -175.9 | -148.3 | 7 | 0 | 0 | 0 | 111 | ||||
| 794 | P | 39.3 | Very low | 27.9 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | -119 | -170.9 | -112.1 | 40.6 | -23.9 | 0 | 0 | 0 | 113.6 | |||||
| 795 | L | 27.1 | Very low | 28.3 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -160.3 | 144.3 | 155.7 | -108.8 | 170.2 | 0 | 0 | 0 | 114.6 | ||||
| 796 | S | 24.6 | Very low | 28.7 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -45.4 | 154.2 | -177.9 | 59.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 797 | A | 27.9 | Very low | 29.5 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | 171.8 | 112.8 | 125.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 798 | A | 27.3 | Very low | 30.2 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | 78.6 | 97.4 | 82.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 799 | T | 22.4 | Very low | 31.2 | Very low | 131 Ų | 131 | 132 Ų | 132 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 20.3 | 128.4 | 137.2 | -42.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 800 | L | 26.3 | Very low | 31.8 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 92% | 0.916 | 74% | 0.74 | S | S | * | * | 175.3 | 135 | 126.4 | -95.7 | 159.3 | 0 | 0 | 0 | 114.4 | |||||
| 801 | G | 27 | Very low | 32.5 | Very low | 65 Ų | 65 | 129.7 Ų | 129.7 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | trans | 90.8 | 91.7 | 141.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 802 | C | 21.6 | Very low | 33.7 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 94% | 0.939 | 70% | 0.703 | S | S | * | * | trans | -59.9 | 136.6 | 154.1 | -68.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 803 | N | 29.5 | Very low | 35.2 | Very low | 163 Ų | 163 | 120.7 Ų | 120.7 | 87% | 0.872 | 68% | 0.682 | S | S | * | * | trans | -126.4 | 135.4 | 167.2 | -98.7 | -39.6 | 0 | 0 | 0 | 110.4 | ||||
| 804 | M | 27.4 | Very low | 36.7 | Very low | 163 Ų | 163 | 118.8 Ų | 118.8 | 80% | 0.803 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 160.9 | -177.1 | -64.6 | -79.9 | -79.6 | 0 | 0 | 112.1 | M806 | M804-M806 PolarHBondContact O-N 2.99Å; M804-M806 VanDerWaalsContact O-N 3.16Å |
| 805 | P | 36.1 | Very low | 37.7 | Very low | 124 Ų | 124 | 119 Ų | 119 | 81% | 0.805 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 121.4 | 171.8 | -22.4 | 33.5 | 0 | 0 | 0 | 110.8 | ||
| 806 | M | 36.8 | Very low | 39.6 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 61% | 0.606 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 127 | -177.4 | -93.2 | -85.1 | -74.1 | 0 | 0 | 111.3 | M804 L808 L811 | M804-M806 PolarHBondContact O-N 2.99Å; M804-M806 VanDerWaalsContact O-N 3.16Å; M806-L808 PolarHBondContact O-N 3.04Å; M806-L808 VanDerWaalsContact O-N 3.09Å; M806-L811 HydrophobicContact CE-CB 4.37Å; M806-L811 HydrophobicContact CE-CD1 3.81Å |
| 807 | D | 43.9 | Very low | 41.3 | Very low | 80 Ų | 80 | 120.3 Ų | 120.3 | 43% | 0.428 | 66% | 0.658 | S | S | . | * | trans | -58.1 | 109.1 | 170.1 | 173.5 | 8.7 | 0 | 0 | 0 | 111 | Y809 R810 L811 | D807-Y809 PolarHBondContact O-N 3.36Å; D807-Y809 VanDerWaalsContact OD1-CB 3.25Å; D807-Y809 WeakPolarHBondContact OD1-CB 3.3Å; D807-Y809 PolarHBondContact OD1-N 2.97Å; D807-R810 HydrophobicContact CB-CB 4.29Å; D807-R810 HydrophobicContact CB-CG 4.41Å; D807-R810 PolarHBondContact O-N 2.88Å; D807-R810 VanDerWaalsContact O-N 3.09Å; D807-R810 WeakPolarHBondContact OD2-CG 3.37Å; D807-R810 IonicContact OD2-NE 2.72Å; D807-L811 PolarHBondContact O-N 3.49Å; D807-L811 VanDerWaalsContact O-N 3.1Å | ||
| 808 | L | 46.3 | Very low | 42.3 | Very low | 96 Ų | 96 | 127 Ų | 127 | 50% | 0.503 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -56 | -30.2 | 178.5 | -90.7 | 158.1 | 0 | 0 | 0 | 112.9 | M806 L811 R812 | M806-L808 PolarHBondContact O-N 3.04Å; M806-L808 VanDerWaalsContact O-N 3.09Å; L808-L811 PolarHBondContact O-N 3.25Å; L808-R812 PolarHBondContact O-N 3.27Å |
| 809 | Y | 50.2 | Low | 43.1 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 60% | 0.6 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.9 | -44.9 | 176.7 | -178.2 | -95 | 0 | 0 | 0 | 111.1 | D807 L811 R812 Q813 | D807-Y809 PolarHBondContact O-N 3.36Å; D807-Y809 VanDerWaalsContact OD1-CB 3.25Å; D807-Y809 WeakPolarHBondContact OD1-CB 3.3Å; D807-Y809 PolarHBondContact OD1-N 2.97Å; Y809-L811 PolarHBondContact O-N 3.33Å; Y809-R812 PolarHBondContact O-N 3.3Å; Y809-Q813 HydrophobicContact CD1-CG 4.22Å; Y809-Q813 HydrophobicContact CE1-CG 3.82Å; Y809-Q813 WeakPolarHBondContact O-CG 3.42Å; Y809-Q813 PolarHBondContact O-N 3.05Å; Y809-Q813 PolarHBondContact OH-NE2 2.92Å |
| 810 | R | 41.4 | Very low | 44.1 | Very low | 165 Ų | 165 | 128.4 Ų | 128.4 | 62% | 0.623 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -62.6 | -40.1 | 173.9 | -79.6 | 178.8 | -179.2 | -157 | -0.1 | 112.3 | D807 Q813 M814 | D807-R810 HydrophobicContact CB-CB 4.29Å; D807-R810 HydrophobicContact CB-CG 4.41Å; D807-R810 PolarHBondContact O-N 2.88Å; D807-R810 VanDerWaalsContact O-N 3.09Å; D807-R810 WeakPolarHBondContact OD2-CG 3.37Å; D807-R810 IonicContact OD2-NE 2.72Å; R810-Q813 PolarHBondContact O-N 2.65Å; R810-M814 WeakPolarHBondContact O-CG 3.47Å; R810-M814 PolarHBondContact O-N 2.82Å |
| 811 | L | 45.1 | Very low | 45.1 | Very low | 65 Ų | 65 | 125.8 Ų | 125.8 | 34% | 0.34 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -63.9 | -42.6 | 177.1 | -168.2 | 70.6 | 0 | 0 | 0 | 111.5 | M806 D807 L808 Y809 M814 Q815 | M806-L811 HydrophobicContact CE-CB 4.37Å; M806-L811 HydrophobicContact CE-CD1 3.81Å; D807-L811 PolarHBondContact O-N 3.49Å; D807-L811 VanDerWaalsContact O-N 3.1Å; L808-L811 PolarHBondContact O-N 3.25Å; Y809-L811 PolarHBondContact O-N 3.33Å; L811-M814 PolarHBondContact O-N 2.99Å; L811-Q815 WeakPolarHBondContact O-CB 3.39Å; L811-Q815 WeakPolarHBondContact O-CG 3.39Å; L811-Q815 PolarHBondContact O-N 3.26Å |
| 812 | R | 53.3 | Low | 46.2 | Very low | 81 Ų | 81 | 129.4 Ų | 129.4 | 31% | 0.306 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -62.1 | -42 | 173.7 | -84.3 | 179.8 | 161 | 177.6 | -6 | 112.7 | N453 D455 L808 Y809 Q815 R816 | N453-R812 VanDerWaalsContact OD1-CZ 3.26Å; N453-R812 PolarHBondContact OD1-NE 3.11Å; N453-R812 PolarHBondContact OD1-NH2 2.92Å; D455-R812 IonicContact OD1-NH2 3.12Å; L808-R812 PolarHBondContact O-N 3.27Å; Y809-R812 PolarHBondContact O-N 3.3Å; R812-Q815 PolarHBondContact O-N 2.8Å; R812-R816 PolarHBondContact O-N 3.16Å |
| 813 | Q | 61.5 | Low | 47.7 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 45% | 0.449 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.7 | -45.9 | 174.9 | -73 | -75.2 | 17.8 | 0 | 0 | 111.6 | Y809 R810 Q815 R816 A817 | Y809-Q813 HydrophobicContact CD1-CG 4.22Å; Y809-Q813 HydrophobicContact CE1-CG 3.82Å; Y809-Q813 WeakPolarHBondContact O-CG 3.42Å; Y809-Q813 PolarHBondContact O-N 3.05Å; Y809-Q813 PolarHBondContact OH-NE2 2.92Å; R810-Q813 PolarHBondContact O-N 2.65Å; Q813-Q815 VanDerWaalsContact C-N 3.3Å; Q813-Q815 PolarHBondContact O-N 3.33Å; Q813-R816 PolarHBondContact O-N 2.83Å; Q813-A817 WeakPolarHBondContact O-CB 3.45Å; Q813-A817 PolarHBondContact O-N 3.1Å |
| 814 | M | 55.9 | Low | 49 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 56% | 0.562 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.2 | -30 | 177.1 | -69.9 | -174.9 | -160.8 | 0 | 0 | 113.7 | R810 L811 | R810-M814 WeakPolarHBondContact O-CG 3.47Å; R810-M814 PolarHBondContact O-N 2.82Å; L811-M814 PolarHBondContact O-N 2.99Å |
| 815 | Q | 61.2 | Low | 50.5 | Low | 107 Ų | 107 | 123.9 Ų | 123.9 | 50% | 0.5 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -82.3 | -23.6 | 176.3 | -73.9 | -177.9 | 1.5 | 0 | 0 | 113.7 | L811 R812 Q813 | L811-Q815 WeakPolarHBondContact O-CB 3.39Å; L811-Q815 WeakPolarHBondContact O-CG 3.39Å; L811-Q815 PolarHBondContact O-N 3.26Å; R812-Q815 PolarHBondContact O-N 2.8Å; Q813-Q815 VanDerWaalsContact C-N 3.3Å; Q813-Q815 PolarHBondContact O-N 3.33Å |
| 816 | R | 66.3 | Low | 51.6 | Low | 206 Ų | 206 | 123.9 Ų | 123.9 | 78% | 0.777 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -82.2 | -17.6 | 169.6 | -76.9 | -175 | 173.6 | -178.3 | -0.9 | 113.5 | R812 Q813 K818 | R812-R816 PolarHBondContact O-N 3.16Å; Q813-R816 PolarHBondContact O-N 2.83Å; R816-K818 VanDerWaalsContact C-N 3.34Å |
| 817 | A | 59.4 | Low | 52.8 | Low | 90 Ų | 90 | 124 Ų | 124 | 74% | 0.744 | 57% | 0.571 | S | S | * | * | trans | -90.2 | 3.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q813 | Q813-A817 WeakPolarHBondContact O-CB 3.45Å; Q813-A817 PolarHBondContact O-N 3.1Å | ||
| 818 | K | 49.7 | Very low | 53.6 | Low | 235 Ų | 235 | 128 Ų | 128 | 100% | 1.022 | 58% | 0.584 | S | S | * | * | trans | -116.4 | 0 | 172.3 | -75.6 | -174.2 | 176.4 | -173.1 | 0 | 109.9 | R816 | R816-K818 VanDerWaalsContact C-N 3.34Š|
Retrieved 818 of 818 residues in 383.6 ms
(Link to these results)