| 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 | 51.5 | Low | 82.9 | Confident | 140 Ų | 140 | 97.9 Ų | 97.9 | 69% | 0.69 | 50% | 0.496 | S | S | * | . | 0 | 126.1 | 0 | -76.2 | -173.9 | -115.9 | 0 | 0 | 108.9 | T3 T103 | M1-T3 PolarHBondContact O-N 3.31Å; M1-T103 HydrophobicContact CE-CG2 3.59Å | |||
| 2 | T | 58.3 | Low | 83.8 | Confident | 116 Ų | 116 | 92.9 Ų | 92.9 | 71% | 0.712 | 47% | 0.471 | S | S | * | . | trans | -58.8 | 114.9 | 162.3 | -19.1 | 0 | 0 | 0 | 0 | 106.3 | S4 | T2-S4 PolarHBondContact O-N 3.22Š| ||
| 3 | T | 76.1 | Confident | 84.7 | Confident | 96 Ų | 96 | 90 Ų | 90 | 59% | 0.589 | 47% | 0.465 | S | S | * | . | trans | -65.1 | 113.2 | -178.9 | -45.4 | 0 | 0 | 0 | 0 | 107.9 | M1 W5 Q8 | M1-T3 PolarHBondContact O-N 3.31Å; T3-W5 PolarHBondContact O-N 3.05Å; T3-Q8 HydrophobicContact CG2-CG 4.45Å | ||
| 4 | S | 89.1 | Confident | 85.5 | Confident | 7 Ų | 7 | 87.6 Ų | 87.6 | 5% | 0.049 | 45% | 0.453 | C | S | . | . | trans | -56.8 | 133.9 | 174.7 | 173.2 | 0 | 0 | 0 | 0 | 109.6 | T2 V6 L7 D32 A35 | T2-S4 PolarHBondContact O-N 3.22Å; S4-V6 PolarHBondContact O-N 3.19Å; S4-V6 WeakPolarHBondContact OG-CB 3.08Å; S4-V6 PolarHBondContact OG-N 2.88Å; S4-L7 WeakPolarHBondContact O-CB 3.43Å; S4-L7 PolarHBondContact O-N 2.92Å; S4-L7 VanDerWaalsContact O-N 3.09Å; S4-D32 WeakPolarHBondContact CA-OD1 3.48Å; S4-D32 WeakPolarHBondContact CB-OD1 3.44Å; S4-D32 WeakPolarHBondContact OG-CA 3.33Å; S4-D32 PolarHBondContact OG-OD1 3.06Å; S4-A35 WeakPolarHBondContact OG-CB 3.04Å | ||
| 5 | W | 93.9 | Very high | 86.2 | Confident | 123 Ų | 123 | 89.3 Ų | 89.3 | 47% | 0.466 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -62.7 | -24.7 | 176.6 | 71.6 | -87.3 | 0 | 0 | 0 | 111.6 | T3 L7 Q8 S9 I20 | T3-W5 PolarHBondContact O-N 3.05Å; W5-L7 PolarHBondContact O-N 3.05Å; W5-Q8 PolarHBondContact O-N 3Å; W5-S9 WeakPolarHBondContact CZ3-OG 3.4Å; W5-S9 PolarHBondContact O-N 2.97Å; W5-S9 VanDerWaalsContact O-N 3.11Å; W5-S9 PolarHBondContact O-OG 3.44Å; W5-I20 HydrophobicContact CH2-CD1 3.77Å; W5-I20 HydrophobicContact CH2-CG1 4.12Å; W5-I20 HydrophobicContact CZ2-CD1 4.34Å; W5-I20 HydrophobicContact CZ2-CG1 4.33Å; W5-I20 HydrophobicContact CZ2-CG2 4.03Å |
| 6 | V | 95.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 88.1 Ų | 88.1 | 0% | 0 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -61.8 | -33.1 | 176.2 | -175.7 | 0 | 0 | 0 | 0 | 111 | S4 Q8 S9 L12 L17 I20 D32 A35 A36 R39 | S4-V6 PolarHBondContact O-N 3.19Å; S4-V6 WeakPolarHBondContact OG-CB 3.08Å; S4-V6 PolarHBondContact OG-N 2.88Å; V6-Q8 VanDerWaalsContact C-N 3.27Å; V6-Q8 PolarHBondContact O-N 3.23Å; V6-S9 PolarHBondContact O-N 3.08Å; V6-L12 HydrophobicContact CG1-CD1 4.07Å; V6-L17 HydrophobicContact CG1-CD2 4.12Å; V6-I20 HydrophobicContact CG2-CG2 3.77Å; V6-D32 HydrophobicContact CG2-CB 4.3Å; V6-A35 HydrophobicContact CB-CB 4.04Å; V6-A35 HydrophobicContact CG1-CB 4.39Å; V6-A36 HydrophobicContact CG1-CB 4.08Å; V6-R39 PolarHBondContact O-NH1 3.03Å |
| 7 | L | 88.8 | Confident | 87.5 | Confident | 97 Ų | 97 | 83.2 Ų | 83.2 | 51% | 0.508 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -72.5 | -21.1 | 176.9 | -62 | 177.1 | 0 | 0 | 0 | 113 | S4 W5 A35 | S4-L7 WeakPolarHBondContact O-CB 3.43Å; S4-L7 PolarHBondContact O-N 2.92Å; S4-L7 VanDerWaalsContact O-N 3.09Å; W5-L7 PolarHBondContact O-N 3.05Å; L7-A35 HydrophobicContact CD2-CB 3.92Å; L7-A35 HydrophobicContact CG-CB 3.93Å |
| 8 | Q | 89.5 | Confident | 88.1 | Confident | 136 Ų | 136 | 79.2 Ų | 79.2 | 64% | 0.636 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -15.1 | -179.8 | -60.4 | 175.8 | -0 | 0 | 0 | 112.3 | T3 W5 V6 | T3-Q8 HydrophobicContact CG2-CG 4.45Å; W5-Q8 PolarHBondContact O-N 3Å; V6-Q8 VanDerWaalsContact C-N 3.27Å; V6-Q8 PolarHBondContact O-N 3.23Å |
| 9 | S | 91 | Very high | 88.7 | Confident | 29 Ų | 29 | 81 Ų | 81 | 20% | 0.203 | 42% | 0.423 | C | S | . | . | trans | -77.6 | 127.1 | -177.2 | -62.1 | 0 | 0 | 0 | 0 | 111 | W5 V6 R39 | W5-S9 WeakPolarHBondContact CZ3-OG 3.4Å; W5-S9 PolarHBondContact O-N 2.97Å; W5-S9 VanDerWaalsContact O-N 3.11Å; W5-S9 PolarHBondContact O-OG 3.44Å; V6-S9 PolarHBondContact O-N 3.08Å; S9-R39 PolarHBondContact O-NH1 3.31Å | ||
| 10 | K | 89 | Confident | 89.1 | Confident | 176 Ų | 176 | 78 Ų | 78 | 77% | 0.765 | 41% | 0.407 | S | S | * | . | trans | -89.2 | 159.5 | 174 | -63.1 | -177.3 | 179.8 | -178.9 | 0 | 110.1 | L12 | K10-L12 VanDerWaalsContact C-N 3.26Å; K10-L12 PolarHBondContact O-N 3.42Å; K10-L12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | D | 89.2 | Confident | 89.6 | Confident | 157 Ų | 157 | 74.2 Ų | 74.2 | 84% | 0.84 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 59.8 | 26.1 | 166.9 | -46 | -44.6 | 0 | 0 | 0 | 116.3 | ||
| 12 | L | 94 | Very high | 91.8 | Very high | 38 Ų | 38 | 70.8 Ų | 70.8 | 20% | 0.199 | 37% | 0.368 | C | S | . | . | trans | -76 | 122.3 | 169.8 | -63 | 180 | 0 | 0 | 0 | 110.1 | V6 K10 D16 L17 I20 | V6-L12 HydrophobicContact CG1-CD1 4.07Å; K10-L12 VanDerWaalsContact C-N 3.26Å; K10-L12 PolarHBondContact O-N 3.42Å; K10-L12 VanDerWaalsContact O-N 3.11Å; L12-D16 HydrophobicContact CB-CB 4.34Å; L12-D16 HydrophobicContact CD2-CB 4.15Å; L12-L17 HydrophobicContact CB-CD2 4.06Å; L12-L17 HydrophobicContact CB-CG 4.2Å; L12-L17 HydrophobicContact CD1-CD2 3.91Å; L12-I20 HydrophobicContact CD1-CD1 3.67Å; L12-I20 HydrophobicContact CD2-CD1 3.97Å; L12-I20 HydrophobicContact CG-CD1 4.43Å | ||
| 13 | S | 95.6 | Very high | 93.7 | Very high | 55 Ų | 55 | 69.3 Ų | 69.3 | 39% | 0.385 | 36% | 0.356 | S | S | . | . | trans | -73.9 | 166.2 | 171.8 | 72.7 | 0 | 0 | 0 | 0 | 111.6 | T15 D16 L17 | S13-T15 PolarHBondContact O-N 3.45Å; S13-T15 PolarHBondContact OG-N 2.87Å; S13-D16 VanDerWaalsContact CB-OD2 3.3Å; S13-D16 WeakPolarHBondContact CB-OD2 3.36Å; S13-D16 PolarHBondContact N-OD2 3.09Å; S13-D16 WeakPolarHBondContact O-CB 3.42Å; S13-D16 PolarHBondContact O-N 2.87Å; S13-D16 VanDerWaalsContact O-N 3.11Å; S13-D16 PolarHBondContact OG-N 3.11Å; S13-D16 PolarHBondContact OG-OD2 3.01Å; S13-L17 WeakPolarHBondContact O-CG 3.37Å; S13-L17 PolarHBondContact O-N 3.42Å | ||
| 14 | N | 95.4 | Very high | 94.8 | Very high | 57 Ų | 57 | 65.1 Ų | 65.1 | 31% | 0.305 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.9 | -37 | 173.9 | -77.6 | 2.1 | 0 | 0 | 0 | 112.2 | L17 V18 Y40 | N14-L17 PolarHBondContact O-N 2.82Å; N14-V18 WeakPolarHBondContact O-CG2 3.31Å; N14-V18 PolarHBondContact O-N 2.95Å; N14-V18 VanDerWaalsContact O-N 3.07Å; N14-Y40 HydrophobicContact CB-CD2 3.84Å; N14-Y40 HydrophobicContact CB-CE2 3.59Å; N14-Y40 WeakPolarHBondContact O-CD2 3.36Å |
| 15 | T | 96.3 | Very high | 95.2 | Very high | 112 Ų | 112 | 68.4 Ų | 68.4 | 69% | 0.687 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.6 | -41.1 | 175.1 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | S13 L17 V18 H19 | S13-T15 PolarHBondContact O-N 3.45Å; S13-T15 PolarHBondContact OG-N 2.87Å; T15-L17 VanDerWaalsContact C-N 3.34Å; T15-L17 PolarHBondContact O-N 3.37Å; T15-V18 PolarHBondContact O-N 3.35Å; T15-H19 PolarHBondContact O-N 3.05Å |
| 16 | D | 97.5 | Very high | 95.4 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 175.5 | -58.4 | -47.7 | 0 | 0 | 0 | 111 | L12 S13 V18 H19 I20 | L12-D16 HydrophobicContact CB-CB 4.34Å; L12-D16 HydrophobicContact CD2-CB 4.15Å; S13-D16 VanDerWaalsContact CB-OD2 3.3Å; S13-D16 WeakPolarHBondContact CB-OD2 3.36Å; S13-D16 PolarHBondContact N-OD2 3.09Å; S13-D16 WeakPolarHBondContact O-CB 3.42Å; S13-D16 PolarHBondContact O-N 2.87Å; S13-D16 VanDerWaalsContact O-N 3.11Å; S13-D16 PolarHBondContact OG-N 3.11Å; S13-D16 PolarHBondContact OG-OD2 3.01Å; D16-V18 PolarHBondContact O-N 3.05Å; D16-H19 PolarHBondContact O-N 3.23Å; D16-I20 WeakPolarHBondContact O-CB 3.48Å; D16-I20 WeakPolarHBondContact O-CD1 3.33Å; D16-I20 WeakPolarHBondContact O-CG1 3.22Å; D16-I20 PolarHBondContact O-N 3.47Å |
| 17 | L | 97.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 73.2 Ų | 73.2 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 179.1 | -67.7 | 169.3 | 0 | 0 | 0 | 112 | V6 L12 S13 N14 T15 I20 A21 A36 R39 Y40 | V6-L17 HydrophobicContact CG1-CD2 4.12Å; L12-L17 HydrophobicContact CB-CD2 4.06Å; L12-L17 HydrophobicContact CB-CG 4.2Å; L12-L17 HydrophobicContact CD1-CD2 3.91Å; S13-L17 WeakPolarHBondContact O-CG 3.37Å; S13-L17 PolarHBondContact O-N 3.42Å; N14-L17 PolarHBondContact O-N 2.82Å; T15-L17 VanDerWaalsContact C-N 3.34Å; T15-L17 PolarHBondContact O-N 3.37Å; L17-I20 PolarHBondContact O-N 3.25Å; L17-A21 WeakPolarHBondContact O-CB 3.44Å; L17-A21 PolarHBondContact O-N 3.29Å; L17-A36 HydrophobicContact CD2-CB 4.28Å; L17-R39 HydrophobicContact CD1-CB 3.8Å; L17-R39 HydrophobicContact CD2-CB 4Å; L17-Y40 HydrophobicContact CB-CD2 4.34Å |
| 18 | V | 98 | Very high | 95.9 | Very high | 12 Ų | 12 | 75.5 Ų | 75.5 | 7% | 0.073 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 174.8 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | N14 T15 D16 A21 K22 Y40 E51 L54 | N14-V18 WeakPolarHBondContact O-CG2 3.31Å; N14-V18 PolarHBondContact O-N 2.95Å; N14-V18 VanDerWaalsContact O-N 3.07Å; T15-V18 PolarHBondContact O-N 3.35Å; D16-V18 PolarHBondContact O-N 3.05Å; V18-A21 PolarHBondContact O-N 3.36Å; V18-K22 HydrophobicContact CG1-CD 4.25Å; V18-K22 WeakPolarHBondContact O-CG 3.38Å; V18-K22 PolarHBondContact O-N 3.44Å; V18-Y40 HydrophobicContact CG2-CD2 3.65Å; V18-Y40 HydrophobicContact CG2-CE2 3.45Å; V18-Y40 VanDerWaalsContact CG2-CE2 3.45Å; V18-E51 HydrophobicContact CG2-CG 3.86Å; V18-L54 HydrophobicContact CG1-CD1 4.01Å |
| 19 | H | 98.2 | Very high | 96.3 | Very high | 113 Ų | 113 | 75.5 Ų | 75.5 | 52% | 0.523 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 177.3 | -173.5 | 59 | 0 | 0 | 0 | 112 | T15 D16 A21 K22 L23 | T15-H19 PolarHBondContact O-N 3.05Å; D16-H19 PolarHBondContact O-N 3.23Å; H19-A21 VanDerWaalsContact C-N 3.35Å; H19-A21 PolarHBondContact O-N 2.97Å; H19-K22 PolarHBondContact O-N 3.19Å; H19-L23 WeakPolarHBondContact O-CG 3.34Å; H19-L23 PolarHBondContact O-N 2.86Å |
| 20 | I | 98.3 | Very high | 96.6 | Very high | 20 Ų | 20 | 76.6 Ų | 76.6 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 174.5 | -70.9 | 162.9 | 0 | 0 | 0 | 110.6 | W5 V6 L12 D16 L17 K22 L23 A24 A36 | W5-I20 HydrophobicContact CH2-CD1 3.77Å; W5-I20 HydrophobicContact CH2-CG1 4.12Å; W5-I20 HydrophobicContact CZ2-CD1 4.34Å; W5-I20 HydrophobicContact CZ2-CG1 4.33Å; W5-I20 HydrophobicContact CZ2-CG2 4.03Å; V6-I20 HydrophobicContact CG2-CG2 3.77Å; L12-I20 HydrophobicContact CD1-CD1 3.67Å; L12-I20 HydrophobicContact CD2-CD1 3.97Å; L12-I20 HydrophobicContact CG-CD1 4.43Å; D16-I20 WeakPolarHBondContact O-CB 3.48Å; D16-I20 WeakPolarHBondContact O-CD1 3.33Å; D16-I20 WeakPolarHBondContact O-CG1 3.22Å; D16-I20 PolarHBondContact O-N 3.47Å; L17-I20 PolarHBondContact O-N 3.25Å; I20-K22 VanDerWaalsContact C-N 3.34Å; I20-K22 PolarHBondContact O-N 3.16Å; I20-L23 PolarHBondContact O-N 3.03Å; I20-A24 VanDerWaalsContact O-CB 3.24Å; I20-A24 WeakPolarHBondContact O-CB 3.46Å; I20-A24 PolarHBondContact O-N 2.81Å; I20-A36 HydrophobicContact CB-CB 4.43Å; I20-A36 HydrophobicContact CG2-CB 4.01Å |
| 21 | A | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L17 V18 H19 A24 E25 M33 A36 M37 L54 | L17-A21 WeakPolarHBondContact O-CB 3.44Å; L17-A21 PolarHBondContact O-N 3.29Å; V18-A21 PolarHBondContact O-N 3.36Å; H19-A21 VanDerWaalsContact C-N 3.35Å; H19-A21 PolarHBondContact O-N 2.97Å; A21-A24 PolarHBondContact O-N 3.22Å; A21-E25 WeakPolarHBondContact O-CB 3.39Å; A21-E25 PolarHBondContact O-N 3.48Å; A21-M33 HydrophobicContact CB-CG 4.06Å; A21-A36 HydrophobicContact CB-CB 4.28Å; A21-M37 HydrophobicContact CB-CG 3.98Å; A21-M37 HydrophobicContact CB-SD 3.57Å; A21-M37 VanDerWaalsContact CB-SD 3.57Å; A21-L54 HydrophobicContact CB-CD1 4.39Å |
| 22 | K | 98.6 | Very high | 97.4 | Very high | 67 Ų | 67 | 63.9 Ų | 63.9 | 29% | 0.291 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 176 | -70.7 | 172.5 | 177.8 | 179.6 | 0 | 112.7 | V18 H19 I20 E25 Q26 E50 L54 | V18-K22 HydrophobicContact CG1-CD 4.25Å; V18-K22 WeakPolarHBondContact O-CG 3.38Å; V18-K22 PolarHBondContact O-N 3.44Å; H19-K22 PolarHBondContact O-N 3.19Å; I20-K22 VanDerWaalsContact C-N 3.34Å; I20-K22 PolarHBondContact O-N 3.16Å; K22-E25 PolarHBondContact O-N 3.02Å; K22-Q26 WeakPolarHBondContact O-CG 3.38Å; K22-Q26 PolarHBondContact O-N 2.79Å; K22-E50 WeakPolarHBondContact CE-OE1 3.45Å; K22-E50 IonicContact NZ-OE1 3.74Å; K22-E50 PolarHBondContact NZ-OE1 3.02Å; K22-E50 IonicContact NZ-OE2 2.76Å; K22-E50 PolarHBondContact NZ-OE2 3.43Å; K22-L54 HydrophobicContact CG-CD1 4.26Å; K22-L54 HydrophobicContact CG-CD2 4.16Å |
| 23 | L | 98.5 | Very high | 97.6 | Very high | 86 Ų | 86 | 62.1 Ų | 62.1 | 45% | 0.45 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 174.9 | -71.4 | 175 | 0 | 0 | 0 | 111.7 | H19 I20 Q26 A27 | H19-L23 WeakPolarHBondContact O-CG 3.34Å; H19-L23 PolarHBondContact O-N 2.86Å; I20-L23 PolarHBondContact O-N 3.03Å; L23-Q26 PolarHBondContact O-N 3.27Å; L23-A27 WeakPolarHBondContact O-CB 3.28Å; L23-A27 PolarHBondContact O-N 3.32Å |
| 24 | A | 98.2 | Very high | 97.7 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I20 A21 A27 E28 R29 D32 M33 | I20-A24 VanDerWaalsContact O-CB 3.24Å; I20-A24 WeakPolarHBondContact O-CB 3.46Å; I20-A24 PolarHBondContact O-N 2.81Å; A21-A24 PolarHBondContact O-N 3.22Å; A24-A27 CarbonylContact O-C 3.59Å; A24-A27 PolarHBondContact O-N 3.18Å; A24-E28 PolarHBondContact O-N 3.18Å; A24-R29 HydrophobicContact CB-CB 4.17Å; A24-R29 PolarHBondContact O-N 3.31Å; A24-D32 HydrophobicContact CB-CB 4.26Å; A24-M33 HydrophobicContact CB-CB 3.8Å; A24-M33 HydrophobicContact CB-CG 4.4Å |
| 25 | E | 98.2 | Very high | 97.8 | Very high | 77 Ų | 77 | 57.5 Ų | 57.5 | 36% | 0.36 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.1 | -51.3 | 172.2 | -175.1 | 179.3 | -166.5 | 0 | 0 | 111.2 | A21 K22 A27 E28 M33 V57 | A21-E25 WeakPolarHBondContact O-CB 3.39Å; A21-E25 PolarHBondContact O-N 3.48Å; K22-E25 PolarHBondContact O-N 3.02Å; E25-A27 PolarHBondContact O-N 3.01Å; E25-E28 PolarHBondContact O-N 2.94Å; E25-M33 HydrophobicContact CB-CE 3.84Å; E25-M33 HydrophobicContact CB-SD 3.93Å; E25-M33 HydrophobicContact CG-CE 4.15Å; E25-M33 HydrophobicContact CG-SD 4.41Å; E25-V57 HydrophobicContact CG-CG1 4.41Å |
| 26 | Q | 98 | Very high | 97.9 | Very high | 160 Ų | 160 | 52.1 Ų | 52.1 | 75% | 0.748 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62 | -29.7 | 178.7 | -68.7 | 175.2 | 4.8 | 0 | 0 | 113.2 | K22 L23 | K22-Q26 WeakPolarHBondContact O-CG 3.38Å; K22-Q26 PolarHBondContact O-N 2.79Å; L23-Q26 PolarHBondContact O-N 3.27Å |
| 27 | A | 97.8 | Very high | 97.9 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 52% | 0.521 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 2.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L23 A24 E25 R29 | L23-A27 WeakPolarHBondContact O-CB 3.28Å; L23-A27 PolarHBondContact O-N 3.32Å; A24-A27 CarbonylContact O-C 3.59Å; A24-A27 PolarHBondContact O-N 3.18Å; E25-A27 PolarHBondContact O-N 3.01Å; A27-R29 HydrophobicContact CB-CB 4.45Å; A27-R29 HydrophobicContact CB-CG 3.84Å; A27-R29 PolarHBondContact O-N 3.35Å; A27-R29 VanDerWaalsContact O-N 3.12Å |
| 28 | E | 97.1 | Very high | 97.9 | Very high | 145 Ų | 145 | 50.6 Ų | 50.6 | 68% | 0.678 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 28.4 | -174.1 | -56.2 | -173 | 159.7 | 0 | 0 | 113.7 | A24 E25 Y30 | A24-E28 PolarHBondContact O-N 3.18Å; E25-E28 PolarHBondContact O-N 2.94Å; E28-Y30 VanDerWaalsContact C-N 3.27Å; E28-Y30 HydrophobicContact CB-CE2 3.85Å; E28-Y30 HydrophobicContact CG-CE2 4.36Å; E28-Y30 WeakPolarHBondContact O-CD2 3.46Å; E28-Y30 PolarHBondContact O-N 3.19Å; E28-Y30 VanDerWaalsContact O-N 3.15Å |
| 29 | R | 97.4 | Very high | 97.8 | Very high | 137 Ų | 137 | 52.8 Ų | 52.8 | 52% | 0.517 | 25% | 0.254 | S | S | . | . | trans | -88.9 | 59.2 | 178.4 | -68.7 | -70.3 | -60.4 | -153.5 | -1.4 | 110.4 | A24 A27 D31 D32 M33 | A24-R29 HydrophobicContact CB-CB 4.17Å; A24-R29 PolarHBondContact O-N 3.31Å; A27-R29 HydrophobicContact CB-CB 4.45Å; A27-R29 HydrophobicContact CB-CG 3.84Å; A27-R29 PolarHBondContact O-N 3.35Å; A27-R29 VanDerWaalsContact O-N 3.12Å; R29-D31 VanDerWaalsContact C-N 3.29Å; R29-D31 PolarHBondContact O-N 3.42Å; R29-D32 HydrophobicContact CB-CB 4.25Å; R29-D32 IonicContact CZ-OD2 2.71Å; R29-D32 VanDerWaalsContact CZ-OD2 3.24Å; R29-D32 IonicContact NE-OD2 2.73Å; R29-D32 PolarHBondContact NE-OD2 3.24Å; R29-D32 IonicContact NH2-OD1 2.69Å; R29-D32 IonicContact NH2-OD2 3.23Å; R29-D32 PolarHBondContact NH2-OD2 3.38Å; R29-D32 WeakPolarHBondContact O-CA 3.42Å; R29-D32 WeakPolarHBondContact O-CB 3.45Å; R29-D32 PolarHBondContact O-N 3.36Å; R29-M33 PolarHBondContact O-N 3Å | ||
| 30 | Y | 97.8 | Very high | 97.7 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 20% | 0.2 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -27.6 | -170.1 | -57.8 | -69.3 | 0 | 0 | 0 | 114.9 | E28 D32 M33 A34 V57 N61 V62 | E28-Y30 VanDerWaalsContact C-N 3.27Å; E28-Y30 HydrophobicContact CB-CE2 3.85Å; E28-Y30 HydrophobicContact CG-CE2 4.36Å; E28-Y30 WeakPolarHBondContact O-CD2 3.46Å; E28-Y30 PolarHBondContact O-N 3.19Å; E28-Y30 VanDerWaalsContact O-N 3.15Å; Y30-D32 VanDerWaalsContact C-N 3.32Å; Y30-M33 HydrophobicContact CD1-SD 4Å; Y30-M33 HydrophobicContact CE1-SD 4.49Å; Y30-M33 WeakPolarHBondContact O-CB 3.48Å; Y30-M33 PolarHBondContact O-N 3.23Å; Y30-A34 VanDerWaalsContact O-CB 3.31Å; Y30-A34 WeakPolarHBondContact O-CB 3.39Å; Y30-A34 PolarHBondContact O-N 3.06Å; Y30-V57 HydrophobicContact CE1-CG1 4.35Å; Y30-N61 HydrophobicContact CD1-CB 3.53Å; Y30-N61 HydrophobicContact CD2-CB 3.48Å; Y30-N61 VanDerWaalsContact CD2-CB 3.48Å; Y30-N61 HydrophobicContact CE1-CB 3.81Å; Y30-N61 WeakPolarHBondContact CE1-ND2 3.15Å; Y30-N61 HydrophobicContact CE2-CB 3.76Å; Y30-N61 HydrophobicContact CG-CB 3.35Å; Y30-N61 VanDerWaalsContact CZ-CG 3.47Å; Y30-V62 VanDerWaalsContact C-CG2 3.45Å; Y30-V62 VanDerWaalsContact O-CG2 3.32Å; Y30-V62 WeakPolarHBondContact O-CG2 3.31Å |
| 31 | D | 96.8 | Very high | 97.7 | Very high | 61 Ų | 61 | 47.8 Ų | 47.8 | 33% | 0.326 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.3 | -35.9 | 172.2 | -64 | -80.7 | 0 | 0 | 0 | 111.6 | R29 A35 R66 | R29-D31 VanDerWaalsContact C-N 3.29Å; R29-D31 PolarHBondContact O-N 3.42Å; D31-A35 WeakPolarHBondContact O-CB 3.38Å; D31-A35 PolarHBondContact O-N 2.9Å; D31-A35 VanDerWaalsContact O-N 3.1Å; D31-R66 IonicContact OD1-CZ 2.64Å; D31-R66 IonicContact OD1-NH1 3.61Å; D31-R66 PolarHBondContact OD1-NH1 2.98Å; D31-R66 IonicContact OD1-NH2 2.72Å; D31-R66 PolarHBondContact OD1-NH2 3.45Å; D31-R66 IonicContact OD2-NH1 2.7Å; D31-R66 IonicContact OD2-NH2 3.36Å |
| 32 | D | 97.7 | Very high | 97.5 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.032 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73 | -39.1 | 174.3 | -64.7 | -45.3 | 0 | 0 | 0 | 111.2 | S4 V6 A24 R29 Y30 A35 A36 | S4-D32 WeakPolarHBondContact CA-OD1 3.48Å; S4-D32 WeakPolarHBondContact CB-OD1 3.44Å; S4-D32 WeakPolarHBondContact OG-CA 3.33Å; S4-D32 PolarHBondContact OG-OD1 3.06Å; V6-D32 HydrophobicContact CG2-CB 4.3Å; A24-D32 HydrophobicContact CB-CB 4.26Å; R29-D32 HydrophobicContact CB-CB 4.25Å; R29-D32 IonicContact CZ-OD2 2.71Å; R29-D32 VanDerWaalsContact CZ-OD2 3.24Å; R29-D32 IonicContact NE-OD2 2.73Å; R29-D32 PolarHBondContact NE-OD2 3.24Å; R29-D32 IonicContact NH2-OD1 2.69Å; R29-D32 IonicContact NH2-OD2 3.23Å; R29-D32 PolarHBondContact NH2-OD2 3.38Å; R29-D32 WeakPolarHBondContact O-CA 3.42Å; R29-D32 WeakPolarHBondContact O-CB 3.45Å; R29-D32 PolarHBondContact O-N 3.36Å; Y30-D32 VanDerWaalsContact C-N 3.32Å; D32-A35 PolarHBondContact O-N 2.59Å; D32-A36 PolarHBondContact O-N 2.94Å |
| 33 | M | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 173.6 | -163.2 | -171.6 | -179 | 0 | 0 | 111.3 | A21 A24 E25 R29 Y30 A36 M37 L54 V57 A58 | A21-M33 HydrophobicContact CB-CG 4.06Å; A24-M33 HydrophobicContact CB-CB 3.8Å; A24-M33 HydrophobicContact CB-CG 4.4Å; E25-M33 HydrophobicContact CB-CE 3.84Å; E25-M33 HydrophobicContact CB-SD 3.93Å; E25-M33 HydrophobicContact CG-CE 4.15Å; E25-M33 HydrophobicContact CG-SD 4.41Å; R29-M33 PolarHBondContact O-N 3Å; Y30-M33 HydrophobicContact CD1-SD 4Å; Y30-M33 HydrophobicContact CE1-SD 4.49Å; Y30-M33 WeakPolarHBondContact O-CB 3.48Å; Y30-M33 PolarHBondContact O-N 3.23Å; M33-A36 PolarHBondContact O-N 2.8Å; M33-M37 WeakPolarHBondContact O-CG 3.23Å; M33-M37 PolarHBondContact O-N 2.84Å; M33-L54 HydrophobicContact CE-CB 4.04Å; M33-L54 HydrophobicContact CE-CD2 3.52Å; M33-L54 HydrophobicContact CE-CG 4.41Å; M33-L54 VanDerWaalsContact CE-O 3.3Å; M33-L54 WeakPolarHBondContact CE-O 3.22Å; M33-V57 HydrophobicContact CE-CB 4.07Å; M33-V57 HydrophobicContact CE-CG1 3.98Å; M33-V57 HydrophobicContact SD-CG1 4.21Å; M33-A58 HydrophobicContact CB-CB 3.92Å; M33-A58 HydrophobicContact CE-CB 4.28Å; M33-A58 HydrophobicContact CG-CB 3.59Å; M33-A58 VanDerWaalsContact SD-CA 3.58Å; M33-A58 HydrophobicContact SD-CB 3.62Å |
| 34 | A | 98 | Very high | 96.8 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65 | -40.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y30 M37 K38 A58 Y59 V62 | Y30-A34 VanDerWaalsContact O-CB 3.31Å; Y30-A34 WeakPolarHBondContact O-CB 3.39Å; Y30-A34 PolarHBondContact O-N 3.06Å; A34-M37 PolarHBondContact O-N 2.64Å; A34-K38 VanDerWaalsContact O-CB 3.23Å; A34-K38 WeakPolarHBondContact O-CB 3.39Å; A34-K38 PolarHBondContact O-N 2.72Å; A34-A58 HydrophobicContact CB-CB 4.23Å; A34-Y59 HydrophobicContact CB-CD1 4.03Å; A34-Y59 HydrophobicContact CB-CE1 3.77Å; A34-Y59 HydrophobicContact CB-CE2 4.41Å; A34-Y59 HydrophobicContact CB-CG 4.47Å; A34-V62 HydrophobicContact CB-CG2 4.1Å |
| 35 | A | 97.5 | Very high | 96 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 7% | 0.066 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S4 V6 L7 D31 D32 R39 | S4-A35 WeakPolarHBondContact OG-CB 3.04Å; V6-A35 HydrophobicContact CB-CB 4.04Å; V6-A35 HydrophobicContact CG1-CB 4.39Å; L7-A35 HydrophobicContact CD2-CB 3.92Å; L7-A35 HydrophobicContact CG-CB 3.93Å; D31-A35 WeakPolarHBondContact O-CB 3.38Å; D31-A35 PolarHBondContact O-N 2.9Å; D31-A35 VanDerWaalsContact O-N 3.1Å; D32-A35 PolarHBondContact O-N 2.59Å; A35-R39 WeakPolarHBondContact O-CG 3.2Å; A35-R39 PolarHBondContact O-N 2.76Å |
| 36 | A | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -48.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V6 L17 I20 A21 D32 M33 K38 R39 Y40 | V6-A36 HydrophobicContact CG1-CB 4.08Å; L17-A36 HydrophobicContact CD2-CB 4.28Å; I20-A36 HydrophobicContact CB-CB 4.43Å; I20-A36 HydrophobicContact CG2-CB 4.01Å; A21-A36 HydrophobicContact CB-CB 4.28Å; D32-A36 PolarHBondContact O-N 2.94Å; M33-A36 PolarHBondContact O-N 2.8Å; A36-K38 PolarHBondContact O-N 3.15Å; A36-R39 PolarHBondContact O-N 3.02Å; A36-Y40 PolarHBondContact O-N 2.85Å |
| 37 | M | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.1 | -30.4 | -178.4 | -65.7 | -48.8 | -54 | 0 | 0 | 113.3 | A21 M33 A34 Y40 T41 E51 L54 L55 | A21-M37 HydrophobicContact CB-CG 3.98Å; A21-M37 HydrophobicContact CB-SD 3.57Å; A21-M37 VanDerWaalsContact CB-SD 3.57Å; M33-M37 WeakPolarHBondContact O-CG 3.23Å; M33-M37 PolarHBondContact O-N 2.84Å; A34-M37 PolarHBondContact O-N 2.64Å; M37-Y40 HydrophobicContact CE-CD1 4.39Å; M37-Y40 HydrophobicContact CE-CG 4.43Å; M37-Y40 PolarHBondContact O-N 3.48Å; M37-T41 VanDerWaalsContact O-CB 3.32Å; M37-T41 WeakPolarHBondContact O-CB 3.38Å; M37-T41 PolarHBondContact O-N 3.46Å; M37-T41 PolarHBondContact O-OG1 3.15Å; M37-E51 HydrophobicContact CE-CB 3.9Å; M37-E51 HydrophobicContact CE-CG 4.49Å; M37-E51 VanDerWaalsContact CE-O 3.27Å; M37-E51 WeakPolarHBondContact CE-O 3.33Å; M37-L54 HydrophobicContact CE-CB 4.02Å; M37-L54 HydrophobicContact CG-CB 4.15Å; M37-L54 HydrophobicContact SD-CB 3.75Å; M37-L54 HydrophobicContact SD-CD1 4.29Å; M37-L55 HydrophobicContact CB-CB 4.36Å; M37-L55 HydrophobicContact CB-CD1 3.72Å; M37-L55 HydrophobicContact CE-CB 4.32Å |
| 38 | K | 96.9 | Very high | 94.9 | Very high | 42 Ų | 42 | 41.2 Ų | 41.2 | 18% | 0.183 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.7 | -55 | 169 | -176.5 | 178.8 | -176 | -70.7 | 0 | 110.6 | A34 A36 Y40 T41 E42 Y59 Q107 L111 | A34-K38 VanDerWaalsContact O-CB 3.23Å; A34-K38 WeakPolarHBondContact O-CB 3.39Å; A34-K38 PolarHBondContact O-N 2.72Å; A36-K38 PolarHBondContact O-N 3.15Å; K38-Y40 VanDerWaalsContact C-N 3.31Å; K38-Y40 PolarHBondContact O-N 3.38Å; K38-T41 PolarHBondContact O-N 3.48Å; K38-T41 VanDerWaalsContact O-N 3.17Å; K38-E42 IonicContact NZ-OE1 3.75Å; K38-E42 PolarHBondContact NZ-OE1 2.91Å; K38-E42 IonicContact NZ-OE2 3.16Å; K38-E42 PolarHBondContact NZ-OE2 2.92Å; K38-E42 WeakPolarHBondContact O-CG 3.43Å; K38-E42 PolarHBondContact O-N 3.45Å; K38-Y59 WeakPolarHBondContact CB-OH 3.37Å; K38-Q107 HydrophobicContact CD-CG 4.17Å; K38-L111 HydrophobicContact CB-CD1 4.36Å; K38-L111 HydrophobicContact CG-CD1 4.15Å; K38-L111 HydrophobicContact CG-CD2 4.13Å |
| 39 | R | 96.6 | Very high | 94.5 | Very high | 59 Ų | 59 | 39.1 Ų | 39.1 | 22% | 0.223 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.2 | -41.7 | -179.6 | -73.4 | -178.8 | 62 | 169.6 | 1.1 | 112 | V6 S9 L17 A35 A36 T41 A43 | V6-R39 PolarHBondContact O-NH1 3.03Å; S9-R39 PolarHBondContact O-NH1 3.31Å; L17-R39 HydrophobicContact CD1-CB 3.8Å; L17-R39 HydrophobicContact CD2-CB 4Å; A35-R39 WeakPolarHBondContact O-CG 3.2Å; A35-R39 PolarHBondContact O-N 2.76Å; A36-R39 PolarHBondContact O-N 3.02Å; R39-T41 VanDerWaalsContact C-N 3.34Å; R39-A43 WeakPolarHBondContact O-CB 3.5Å; R39-A43 PolarHBondContact O-N 3.39Å; R39-A43 VanDerWaalsContact O-N 3.09Å |
| 40 | Y | 97 | Very high | 94.4 | Very high | 28 Ų | 28 | 37.1 Ų | 37.1 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.8 | -47 | 176.8 | -175.6 | -77.6 | 0 | 0 | 0 | 110.7 | N14 L17 V18 A36 M37 K38 A43 S44 L47 E51 | N14-Y40 HydrophobicContact CB-CD2 3.84Å; N14-Y40 HydrophobicContact CB-CE2 3.59Å; N14-Y40 WeakPolarHBondContact O-CD2 3.36Å; L17-Y40 HydrophobicContact CB-CD2 4.34Å; V18-Y40 HydrophobicContact CG2-CD2 3.65Å; V18-Y40 HydrophobicContact CG2-CE2 3.45Å; V18-Y40 VanDerWaalsContact CG2-CE2 3.45Å; A36-Y40 PolarHBondContact O-N 2.85Å; M37-Y40 HydrophobicContact CE-CD1 4.39Å; M37-Y40 HydrophobicContact CE-CG 4.43Å; M37-Y40 PolarHBondContact O-N 3.48Å; K38-Y40 VanDerWaalsContact C-N 3.31Å; K38-Y40 PolarHBondContact O-N 3.38Å; Y40-A43 PolarHBondContact O-N 3.39Å; Y40-S44 VanDerWaalsContact O-CB 3.28Å; Y40-S44 WeakPolarHBondContact O-CB 3.28Å; Y40-S44 PolarHBondContact O-N 3.02Å; Y40-L47 HydrophobicContact CD1-CD2 3.39Å; Y40-L47 HydrophobicContact CE1-CD2 3.42Å; Y40-L47 VanDerWaalsContact CE1-CD2 3.42Å; Y40-E51 HydrophobicContact CD1-CB 4.46Å; Y40-E51 HydrophobicContact CD1-CG 4.38Å; Y40-E51 HydrophobicContact CE1-CB 4.03Å; Y40-E51 HydrophobicContact CE1-CG 3.74Å; Y40-E51 HydrophobicContact CE2-CG 4.17Å |
| 41 | T | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.9 | -46.2 | -179.2 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | M37 K38 R39 A43 S44 G45 L111 Y115 L116 | M37-T41 VanDerWaalsContact O-CB 3.32Å; M37-T41 WeakPolarHBondContact O-CB 3.38Å; M37-T41 PolarHBondContact O-N 3.46Å; M37-T41 PolarHBondContact O-OG1 3.15Å; K38-T41 PolarHBondContact O-N 3.48Å; K38-T41 VanDerWaalsContact O-N 3.17Å; R39-T41 VanDerWaalsContact C-N 3.34Å; T41-A43 VanDerWaalsContact C-N 3.26Å; T41-A43 PolarHBondContact O-N 3.02Å; T41-S44 PolarHBondContact O-N 3.12Å; T41-G45 PolarHBondContact O-N 2.96Å; T41-L111 HydrophobicContact CG2-CB 4.4Å; T41-L111 HydrophobicContact CG2-CD2 4Å; T41-Y115 HydrophobicContact CG2-CG 4.49Å; T41-L116 HydrophobicContact CG2-CD1 4.01Å; T41-L116 HydrophobicContact CG2-CD2 3.69Å; T41-L116 HydrophobicContact CG2-CG 3.78Å |
| 42 | E | 95.4 | Very high | 94.2 | Very high | 74 Ų | 74 | 33.9 Ų | 33.9 | 35% | 0.346 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.6 | -28.8 | 179.1 | -67.9 | 175.7 | 144.1 | 0 | 0 | 112.7 | K38 L111 Y115 | K38-E42 IonicContact NZ-OE1 3.75Å; K38-E42 PolarHBondContact NZ-OE1 2.91Å; K38-E42 IonicContact NZ-OE2 3.16Å; K38-E42 PolarHBondContact NZ-OE2 2.92Å; K38-E42 WeakPolarHBondContact O-CG 3.43Å; K38-E42 PolarHBondContact O-N 3.45Å; E42-L111 HydrophobicContact CG-CD2 3.74Å; E42-Y115 HydrophobicContact CB-CE1 4.15Å; E42-Y115 HydrophobicContact CG-CD2 4.49Å; E42-Y115 HydrophobicContact CG-CE1 4.29Å; E42-Y115 HydrophobicContact CG-CE2 3.89Å |
| 43 | A | 93.5 | Very high | 94.1 | Very high | 69 Ų | 69 | 37.8 Ų | 37.8 | 57% | 0.57 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -85.5 | -36.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R39 Y40 T41 | R39-A43 WeakPolarHBondContact O-CB 3.5Å; R39-A43 PolarHBondContact O-N 3.39Å; R39-A43 VanDerWaalsContact O-N 3.09Å; Y40-A43 PolarHBondContact O-N 3.39Å; T41-A43 VanDerWaalsContact C-N 3.26Å; T41-A43 PolarHBondContact O-N 3.02Å |
| 44 | S | 89.2 | Confident | 94.1 | Very high | 49 Ų | 49 | 38.2 Ų | 38.2 | 34% | 0.343 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -92.1 | -35.1 | -173.3 | -170.7 | 0 | 0 | 0 | 0 | 113.1 | Y40 T41 N46 | Y40-S44 VanDerWaalsContact O-CB 3.28Å; Y40-S44 WeakPolarHBondContact O-CB 3.28Å; Y40-S44 PolarHBondContact O-N 3.02Å; T41-S44 PolarHBondContact O-N 3.12Å; S44-N46 WeakPolarHBondContact CB-O 3.33Å; S44-N46 PolarHBondContact O-N 3.35Å; S44-N46 PolarHBondContact OG-O 3.03Å |
| 45 | G | 80.8 | Confident | 94.1 | Very high | 11 Ų | 11 | 38 Ų | 38 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 68.4 | -22.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | T41 N119 | T41-G45 PolarHBondContact O-N 2.96Å; G45-N119 WeakPolarHBondContact O-CB 3.4Å; G45-N119 PolarHBondContact O-ND2 2.92Å |
| 46 | N | 86.1 | Confident | 94.1 | Very high | 75 Ų | 75 | 39.3 Ų | 39.3 | 40% | 0.401 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -130.7 | 143.4 | 175 | -165.1 | 6.1 | 0 | 0 | 0 | 110.9 | S44 | S44-N46 WeakPolarHBondContact CB-O 3.33Å; S44-N46 PolarHBondContact O-N 3.35Å; S44-N46 PolarHBondContact OG-O 3.03Å |
| 47 | L | 92.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | trans | -118.1 | 133.4 | -178.4 | -56.8 | -175.7 | 0 | 0 | 0 | 109.9 | Y40 E51 R52 L55 L116 F129 | Y40-L47 HydrophobicContact CD1-CD2 3.39Å; Y40-L47 HydrophobicContact CE1-CD2 3.42Å; Y40-L47 VanDerWaalsContact CE1-CD2 3.42Å; L47-E51 HydrophobicContact CB-CB 4.07Å; L47-E51 HydrophobicContact CD2-CB 4.02Å; L47-E51 HydrophobicContact CG-CB 4.47Å; L47-R52 HydrophobicContact CB-CB 4.21Å; L47-L55 HydrophobicContact CD1-CB 4.19Å; L47-L55 HydrophobicContact CD1-CD2 3.69Å; L47-L55 HydrophobicContact CD1-CG 4.49Å; L47-L116 HydrophobicContact CD1-CD1 4.28Å; L47-L116 HydrophobicContact CD1-CD2 3.61Å; L47-L116 HydrophobicContact CD2-CD2 4.45Å; L47-L116 HydrophobicContact CG-CD2 3.55Å; L47-F129 HydrophobicContact CD1-CZ 4.43Å | ||
| 48 | G | 91.9 | Very high | 94.2 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 36% | 0.361 | 23% | 0.234 | S | C | . | . | trans | -72.4 | 177.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E50 E51 R52 | G48-E50 VanDerWaalsContact C-N 3.28Å; G48-E50 PolarHBondContact O-N 3.25Å; G48-E51 WeakPolarHBondContact CA-OE2 3.38Å; G48-E51 PolarHBondContact N-OE2 2.87Å; G48-E51 PolarHBondContact O-N 3.39Å; G48-R52 WeakPolarHBondContact O-CB 3.4Å; G48-R52 PolarHBondContact O-N 3.11Å | ||
| 49 | N | 90.2 | Very high | 94.2 | Very high | 101 Ų | 101 | 39.4 Ų | 39.4 | 54% | 0.54 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.5 | -41.2 | -179.3 | -74.1 | -17.7 | 0 | 0 | 0 | 112.6 | R52 N53 | N49-R52 PolarHBondContact OD1-NH2 3.32Å; N49-N53 WeakPolarHBondContact O-CB 3.44Å; N49-N53 PolarHBondContact O-N 3.22Å; N49-N53 VanDerWaalsContact O-N 3.1Å; N49-N53 PolarHBondContact O-ND2 2.71Å |
| 50 | E | 94.8 | Very high | 94.3 | Very high | 96 Ų | 96 | 43.1 Ų | 43.1 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.5 | -50 | 178.8 | 179.6 | 166 | -126.3 | 0 | 0 | 111.1 | K22 G48 R52 N53 L54 | K22-E50 WeakPolarHBondContact CE-OE1 3.45Å; K22-E50 IonicContact NZ-OE1 3.74Å; K22-E50 PolarHBondContact NZ-OE1 3.02Å; K22-E50 IonicContact NZ-OE2 2.76Å; K22-E50 PolarHBondContact NZ-OE2 3.43Å; G48-E50 VanDerWaalsContact C-N 3.28Å; G48-E50 PolarHBondContact O-N 3.25Å; E50-R52 VanDerWaalsContact C-N 3.35Å; E50-R52 PolarHBondContact O-N 3.48Å; E50-N53 PolarHBondContact O-N 2.8Å; E50-L54 HydrophobicContact CG-CD1 4.1Å; E50-L54 WeakPolarHBondContact O-CG 3.48Å; E50-L54 PolarHBondContact O-N 3.29Å |
| 51 | E | 96 | Very high | 94.3 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.4 | -36 | -177.6 | -62.1 | 79.6 | -156.2 | 0 | 0 | 112.3 | V18 M37 Y40 L47 G48 N53 L54 L55 | V18-E51 HydrophobicContact CG2-CG 3.86Å; M37-E51 HydrophobicContact CE-CB 3.9Å; M37-E51 HydrophobicContact CE-CG 4.49Å; M37-E51 VanDerWaalsContact CE-O 3.27Å; M37-E51 WeakPolarHBondContact CE-O 3.33Å; Y40-E51 HydrophobicContact CD1-CB 4.46Å; Y40-E51 HydrophobicContact CD1-CG 4.38Å; Y40-E51 HydrophobicContact CE1-CB 4.03Å; Y40-E51 HydrophobicContact CE1-CG 3.74Å; Y40-E51 HydrophobicContact CE2-CG 4.17Å; L47-E51 HydrophobicContact CB-CB 4.07Å; L47-E51 HydrophobicContact CD2-CB 4.02Å; L47-E51 HydrophobicContact CG-CB 4.47Å; G48-E51 WeakPolarHBondContact CA-OE2 3.38Å; G48-E51 PolarHBondContact N-OE2 2.87Å; G48-E51 PolarHBondContact O-N 3.39Å; E51-N53 VanDerWaalsContact C-N 3.32Å; E51-N53 PolarHBondContact O-N 3.13Å; E51-L54 PolarHBondContact O-N 3.41Å; E51-L55 WeakPolarHBondContact O-CB 3.4Å; E51-L55 PolarHBondContact O-N 2.78Å |
| 52 | R | 95.2 | Very high | 94.4 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 5% | 0.053 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 172.9 | 179.7 | 178.7 | 68.5 | 173.4 | -0.8 | 111.2 | L47 G48 N49 E50 S56 D124 S125 F128 F129 | L47-R52 HydrophobicContact CB-CB 4.21Å; G48-R52 WeakPolarHBondContact O-CB 3.4Å; G48-R52 PolarHBondContact O-N 3.11Å; N49-R52 PolarHBondContact OD1-NH2 3.32Å; E50-R52 VanDerWaalsContact C-N 3.35Å; E50-R52 PolarHBondContact O-N 3.48Å; R52-S56 WeakPolarHBondContact O-CB 3.48Å; R52-S56 PolarHBondContact O-N 3.28Å; R52-S56 VanDerWaalsContact O-N 3.09Å; R52-D124 IonicContact CZ-OD2 3.58Å; R52-D124 IonicContact NH1-OD1 3.79Å; R52-D124 IonicContact NH1-OD2 3.24Å; R52-D124 PolarHBondContact NH1-OD2 3.05Å; R52-D124 IonicContact NH2-OD2 2.94Å; R52-D124 PolarHBondContact NH2-OD2 3.09Å; R52-D124 VanDerWaalsContact NH2-OD2 3.16Å; R52-S125 PolarHBondContact NH1-OG 3.43Å; R52-S125 VanDerWaalsContact NH1-OG 3.11Å; R52-F128 HydrophobicContact CG-CD1 3.55Å; R52-F128 HydrophobicContact CG-CD2 4.28Å; R52-F128 HydrophobicContact CG-CE1 3.26Å; R52-F128 HydrophobicContact CG-CE2 4.03Å; R52-F128 HydrophobicContact CG-CG 4.06Å; R52-F128 HydrophobicContact CG-CZ 3.51Å; R52-F129 HydrophobicContact CG-CE1 3.95Å; R52-F129 HydrophobicContact CG-CZ 4.07Å |
| 53 | N | 94.9 | Very high | 94.5 | Very high | 88 Ų | 88 | 41.2 Ų | 41.2 | 47% | 0.471 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.5 | -44.8 | 176.5 | -73.8 | -9.9 | 0 | 0 | 0 | 111.5 | N49 E50 E51 L55 S56 V57 | N49-N53 WeakPolarHBondContact O-CB 3.44Å; N49-N53 PolarHBondContact O-N 3.22Å; N49-N53 VanDerWaalsContact O-N 3.1Å; N49-N53 PolarHBondContact O-ND2 2.71Å; E50-N53 PolarHBondContact O-N 2.8Å; E51-N53 VanDerWaalsContact C-N 3.32Å; E51-N53 PolarHBondContact O-N 3.13Å; N53-L55 PolarHBondContact O-N 2.8Å; N53-S56 PolarHBondContact O-N 3.21Å; N53-V57 WeakPolarHBondContact O-CG2 3.28Å; N53-V57 PolarHBondContact O-N 3.1Å |
| 54 | L | 98.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -45.8 | 176.4 | -70 | 170.5 | 0 | 0 | 0 | 111.7 | V18 A21 K22 M33 M37 E50 E51 S56 V57 A58 | V18-L54 HydrophobicContact CG1-CD1 4.01Å; A21-L54 HydrophobicContact CB-CD1 4.39Å; K22-L54 HydrophobicContact CG-CD1 4.26Å; K22-L54 HydrophobicContact CG-CD2 4.16Å; M33-L54 HydrophobicContact CE-CB 4.04Å; M33-L54 HydrophobicContact CE-CD2 3.52Å; M33-L54 HydrophobicContact CE-CG 4.41Å; M33-L54 VanDerWaalsContact CE-O 3.3Å; M33-L54 WeakPolarHBondContact CE-O 3.22Å; M37-L54 HydrophobicContact CE-CB 4.02Å; M37-L54 HydrophobicContact CG-CB 4.15Å; M37-L54 HydrophobicContact SD-CB 3.75Å; M37-L54 HydrophobicContact SD-CD1 4.29Å; E50-L54 HydrophobicContact CG-CD1 4.1Å; E50-L54 WeakPolarHBondContact O-CG 3.48Å; E50-L54 PolarHBondContact O-N 3.29Å; E51-L54 PolarHBondContact O-N 3.41Å; L54-S56 VanDerWaalsContact C-N 3.31Å; L54-S56 PolarHBondContact O-N 3Å; L54-V57 PolarHBondContact O-N 3.48Å; L54-A58 VanDerWaalsContact O-CB 3.26Å; L54-A58 WeakPolarHBondContact O-CB 3.42Å; L54-A58 PolarHBondContact O-N 3.35Å |
| 55 | L | 98 | Very high | 95 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.3 | -46.4 | 175.9 | -178.4 | 75.9 | 0 | 0 | 0 | 111.3 | M37 L47 E51 N53 A58 Y59 L111 L116 | M37-L55 HydrophobicContact CB-CB 4.36Å; M37-L55 HydrophobicContact CB-CD1 3.72Å; M37-L55 HydrophobicContact CE-CB 4.32Å; L47-L55 HydrophobicContact CD1-CB 4.19Å; L47-L55 HydrophobicContact CD1-CD2 3.69Å; L47-L55 HydrophobicContact CD1-CG 4.49Å; E51-L55 WeakPolarHBondContact O-CB 3.4Å; E51-L55 PolarHBondContact O-N 2.78Å; N53-L55 PolarHBondContact O-N 2.8Å; L55-A58 PolarHBondContact O-N 2.86Å; L55-Y59 HydrophobicContact CD1-CD2 3.64Å; L55-Y59 HydrophobicContact CD1-CE2 3.47Å; L55-Y59 VanDerWaalsContact CD1-CE2 3.47Å; L55-Y59 HydrophobicContact CG-CD2 4.13Å; L55-Y59 HydrophobicContact CG-CE2 4.42Å; L55-Y59 WeakPolarHBondContact O-CD2 3.47Å; L55-Y59 PolarHBondContact O-N 3.36Å; L55-Y59 VanDerWaalsContact O-N 3.13Å; L55-L111 HydrophobicContact CD1-CD1 4.44Å; L55-L116 HydrophobicContact CD2-CD1 3.56Å |
| 56 | S | 97.3 | Very high | 95.8 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 25% | 0.245 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.4 | -48.7 | -179.6 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | R52 N53 L54 A58 K60 | R52-S56 WeakPolarHBondContact O-CB 3.48Å; R52-S56 PolarHBondContact O-N 3.28Å; R52-S56 VanDerWaalsContact O-N 3.09Å; N53-S56 PolarHBondContact O-N 3.21Å; L54-S56 VanDerWaalsContact C-N 3.31Å; L54-S56 PolarHBondContact O-N 3Å; S56-A58 VanDerWaalsContact C-N 3.34Å; S56-A58 PolarHBondContact O-N 3.04Å; S56-K60 WeakPolarHBondContact O-CB 3.39Å; S56-K60 PolarHBondContact O-N 3.2Å |
| 57 | V | 98.2 | Very high | 96.4 | Very high | 43 Ų | 43 | 38.1 Ų | 38.1 | 26% | 0.261 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 177.4 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | E25 Y30 M33 N53 L54 N61 | E25-V57 HydrophobicContact CG-CG1 4.41Å; Y30-V57 HydrophobicContact CE1-CG1 4.35Å; M33-V57 HydrophobicContact CE-CB 4.07Å; M33-V57 HydrophobicContact CE-CG1 3.98Å; M33-V57 HydrophobicContact SD-CG1 4.21Å; N53-V57 WeakPolarHBondContact O-CG2 3.28Å; N53-V57 PolarHBondContact O-N 3.1Å; L54-V57 PolarHBondContact O-N 3.48Å; V57-N61 PolarHBondContact O-N 2.84Å; V57-N61 VanDerWaalsContact O-N 3.16Å; V57-N61 PolarHBondContact O-ND2 3.09Å |
| 58 | A | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.8 | -59.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M33 A34 L54 L55 S56 N61 V62 | M33-A58 HydrophobicContact CB-CB 3.92Å; M33-A58 HydrophobicContact CE-CB 4.28Å; M33-A58 HydrophobicContact CG-CB 3.59Å; M33-A58 VanDerWaalsContact SD-CA 3.58Å; M33-A58 HydrophobicContact SD-CB 3.62Å; A34-A58 HydrophobicContact CB-CB 4.23Å; L54-A58 VanDerWaalsContact O-CB 3.26Å; L54-A58 WeakPolarHBondContact O-CB 3.42Å; L54-A58 PolarHBondContact O-N 3.35Å; L55-A58 PolarHBondContact O-N 2.86Å; S56-A58 VanDerWaalsContact C-N 3.34Å; S56-A58 PolarHBondContact O-N 3.04Å; A58-N61 PolarHBondContact O-N 3.17Å; A58-V62 WeakPolarHBondContact O-CG2 3.34Å; A58-V62 PolarHBondContact O-N 3.35Å; A58-V62 VanDerWaalsContact O-N 3.09Å |
| 59 | Y | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.4 | -32.3 | -174.2 | -76.3 | -70.9 | 0 | 0 | 0 | 113.1 | A34 K38 L55 N61 V62 V63 I104 Q107 V108 L111 Y136 | A34-Y59 HydrophobicContact CB-CD1 4.03Å; A34-Y59 HydrophobicContact CB-CE1 3.77Å; A34-Y59 HydrophobicContact CB-CE2 4.41Å; A34-Y59 HydrophobicContact CB-CG 4.47Å; K38-Y59 WeakPolarHBondContact CB-OH 3.37Å; L55-Y59 HydrophobicContact CD1-CD2 3.64Å; L55-Y59 HydrophobicContact CD1-CE2 3.47Å; L55-Y59 VanDerWaalsContact CD1-CE2 3.47Å; L55-Y59 HydrophobicContact CG-CD2 4.13Å; L55-Y59 HydrophobicContact CG-CE2 4.42Å; L55-Y59 WeakPolarHBondContact O-CD2 3.47Å; L55-Y59 PolarHBondContact O-N 3.36Å; L55-Y59 VanDerWaalsContact O-N 3.13Å; Y59-N61 VanDerWaalsContact C-N 3.31Å; Y59-N61 PolarHBondContact O-N 3.37Å; Y59-V62 PolarHBondContact O-N 3.38Å; Y59-V63 WeakPolarHBondContact O-CB 3.45Å; Y59-V63 WeakPolarHBondContact O-CG1 3.49Å; Y59-V63 PolarHBondContact O-N 2.9Å; Y59-I104 HydrophobicContact CD1-CG2 4.19Å; Y59-Q107 VanDerWaalsContact CE1-NE2 3.26Å; Y59-Q107 PolarHBondContact OH-NE2 2.94Å; Y59-V108 HydrophobicContact CD1-CG2 3.3Å; Y59-V108 HydrophobicContact CD2-CG2 3.81Å; Y59-V108 HydrophobicContact CE1-CG2 3.63Å; Y59-V108 HydrophobicContact CE2-CG2 4.09Å; Y59-V108 HydrophobicContact CG-CG2 3.4Å; Y59-L111 HydrophobicContact CE2-CD1 3.86Å; Y59-Y136 WeakPolarHBondContact CB-OH 3.48Å; Y59-Y136 PolarHBondContact O-OH 3.02Å |
| 60 | K | 97.7 | Very high | 97.3 | Very high | 136 Ų | 136 | 37.3 Ų | 37.3 | 59% | 0.591 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -57.1 | -44.1 | 173 | 179.5 | -173.8 | 174.6 | -173.7 | 0 | 111.4 | S56 V63 G64 Y136 | S56-K60 WeakPolarHBondContact O-CB 3.39Å; S56-K60 PolarHBondContact O-N 3.2Å; K60-V63 WeakPolarHBondContact O-CG1 3.43Å; K60-G64 WeakPolarHBondContact O-CA 3.49Å; K60-G64 PolarHBondContact O-N 3.43Å; K60-Y136 PolarHBondContact N-OH 2.96Å |
| 61 | N | 97.9 | Very high | 97.5 | Very high | 56 Ų | 56 | 37.5 Ų | 37.5 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -72.5 | -43.1 | 179.3 | -79.4 | -72.1 | 0 | 0 | 0 | 112 | Y30 V57 A58 Y59 G64 A65 | Y30-N61 HydrophobicContact CD1-CB 3.53Å; Y30-N61 HydrophobicContact CD2-CB 3.48Å; Y30-N61 VanDerWaalsContact CD2-CB 3.48Å; Y30-N61 HydrophobicContact CE1-CB 3.81Å; Y30-N61 WeakPolarHBondContact CE1-ND2 3.15Å; Y30-N61 HydrophobicContact CE2-CB 3.76Å; Y30-N61 HydrophobicContact CG-CB 3.35Å; Y30-N61 VanDerWaalsContact CZ-CG 3.47Å; V57-N61 PolarHBondContact O-N 2.84Å; V57-N61 VanDerWaalsContact O-N 3.16Å; V57-N61 PolarHBondContact O-ND2 3.09Å; A58-N61 PolarHBondContact O-N 3.17Å; Y59-N61 VanDerWaalsContact C-N 3.31Å; Y59-N61 PolarHBondContact O-N 3.37Å; N61-G64 PolarHBondContact O-N 2.85Å; N61-A65 PolarHBondContact O-N 2.7Å |
| 62 | V | 97.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.03 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -50.8 | 176.8 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | Y30 A34 A58 Y59 R66 I104 | Y30-V62 VanDerWaalsContact C-CG2 3.45Å; Y30-V62 VanDerWaalsContact O-CG2 3.32Å; Y30-V62 WeakPolarHBondContact O-CG2 3.31Å; A34-V62 HydrophobicContact CB-CG2 4.1Å; A58-V62 WeakPolarHBondContact O-CG2 3.34Å; A58-V62 PolarHBondContact O-N 3.35Å; A58-V62 VanDerWaalsContact O-N 3.09Å; Y59-V62 PolarHBondContact O-N 3.38Å; V62-R66 VanDerWaalsContact O-CD 3.23Å; V62-R66 WeakPolarHBondContact O-CD 3.49Å; V62-R66 PolarHBondContact O-N 3.44Å; V62-I104 HydrophobicContact CG1-CD1 3.66Å; V62-I104 HydrophobicContact CG1-CG1 4.06Å; V62-I104 HydrophobicContact CG1-CG2 3.97Å |
| 63 | V | 97.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.4 | -41.2 | -179.5 | 80 | 0 | 0 | 0 | 0 | 111.3 | Y59 K60 A65 R66 R67 L101 I104 Y136 Y139 | Y59-V63 WeakPolarHBondContact O-CB 3.45Å; Y59-V63 WeakPolarHBondContact O-CG1 3.49Å; Y59-V63 PolarHBondContact O-N 2.9Å; K60-V63 WeakPolarHBondContact O-CG1 3.43Å; V63-A65 VanDerWaalsContact C-N 3.34Å; V63-A65 PolarHBondContact O-N 3.31Å; V63-R66 PolarHBondContact O-N 2.82Å; V63-R66 VanDerWaalsContact O-N 3.15Å; V63-R67 WeakPolarHBondContact O-CG 3.19Å; V63-R67 PolarHBondContact O-N 2.87Å; V63-L101 HydrophobicContact CG2-CD1 3.38Å; V63-I104 HydrophobicContact CB-CG2 4.38Å; V63-Y136 HydrophobicContact CB-CE1 4.14Å; V63-Y136 HydrophobicContact CG1-CE1 4.13Å; V63-Y136 HydrophobicContact CG2-CE1 4.14Å; V63-Y139 HydrophobicContact CG1-CD2 3.99Å; V63-Y139 HydrophobicContact CG1-CE2 3.79Å; V63-Y139 HydrophobicContact CG2-CD2 3.82Å; V63-Y139 HydrophobicContact CG2-CE2 4.47Å; V63-Y139 HydrophobicContact CG2-CG 4.43Å |
| 64 | G | 97.4 | Very high | 97.8 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 24% | 0.237 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K60 N61 R66 R67 S68 | K60-G64 WeakPolarHBondContact O-CA 3.49Å; K60-G64 PolarHBondContact O-N 3.43Å; N61-G64 PolarHBondContact O-N 2.85Å; G64-R66 PolarHBondContact O-N 3.32Å; G64-R67 PolarHBondContact O-N 3.32Å; G64-S68 WeakPolarHBondContact O-CB 3.24Å; G64-S68 PolarHBondContact O-N 3.16Å; G64-S68 PolarHBondContact O-OG 2.69Å; G64-S68 VanDerWaalsContact O-OG 3.13Å |
| 65 | A | 96.9 | Very high | 97.7 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 46% | 0.455 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N61 V63 A69 | N61-A65 PolarHBondContact O-N 2.7Å; V63-A65 VanDerWaalsContact C-N 3.34Å; V63-A65 PolarHBondContact O-N 3.31Å; A65-A69 WeakPolarHBondContact O-CB 3.35Å; A65-A69 PolarHBondContact O-N 3.01Å |
| 66 | R | 97.2 | Very high | 97.6 | Very high | 32 Ų | 32 | 43.5 Ų | 43.5 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.5 | -39.1 | 179.1 | -85.1 | 68.4 | 177.2 | -169.1 | -7.9 | 111.8 | D31 V62 V63 G64 A69 W70 E100 L101 I104 | D31-R66 IonicContact OD1-CZ 2.64Å; D31-R66 IonicContact OD1-NH1 3.61Å; D31-R66 PolarHBondContact OD1-NH1 2.98Å; D31-R66 IonicContact OD1-NH2 2.72Å; D31-R66 PolarHBondContact OD1-NH2 3.45Å; D31-R66 IonicContact OD2-NH1 2.7Å; D31-R66 IonicContact OD2-NH2 3.36Å; V62-R66 VanDerWaalsContact O-CD 3.23Å; V62-R66 WeakPolarHBondContact O-CD 3.49Å; V62-R66 PolarHBondContact O-N 3.44Å; V63-R66 PolarHBondContact O-N 2.82Å; V63-R66 VanDerWaalsContact O-N 3.15Å; G64-R66 PolarHBondContact O-N 3.32Å; R66-A69 PolarHBondContact O-N 2.71Å; R66-W70 WeakPolarHBondContact O-CB 3.37Å; R66-W70 PolarHBondContact O-N 3.32Å; R66-E100 HydrophobicContact CG-CB 4.3Å; R66-E100 IonicContact NE-OE2 3.12Å; R66-L101 HydrophobicContact CB-CB 4.47Å; R66-L101 HydrophobicContact CB-CD1 4.04Å; R66-I104 HydrophobicContact CG-CD1 4.06Å |
| 67 | R | 97.8 | Very high | 97.6 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 11% | 0.109 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 174.2 | -69.6 | 179.3 | 68.8 | -131.6 | 3.4 | 111.7 | V63 G64 A69 W70 R71 L101 E142 | V63-R67 WeakPolarHBondContact O-CG 3.19Å; V63-R67 PolarHBondContact O-N 2.87Å; G64-R67 PolarHBondContact O-N 3.32Å; R67-A69 PolarHBondContact O-N 2.73Å; R67-W70 PolarHBondContact O-N 2.9Å; R67-R71 WeakPolarHBondContact O-CG 3.31Å; R67-R71 PolarHBondContact O-N 3.17Å; R67-L101 HydrophobicContact CG-CD1 3.65Å; R67-L101 HydrophobicContact CG-CD2 4.1Å; R67-E142 IonicContact CZ-OE2 2.84Å; R67-E142 IonicContact NE-OE2 2.81Å; R67-E142 PolarHBondContact NE-OE2 3.36Å; R67-E142 IonicContact NH2-OE1 3.86Å; R67-E142 PolarHBondContact NH2-OE1 2.85Å; R67-E142 IonicContact NH2-OE2 2.67Å; R67-E142 PolarHBondContact NH2-OE2 3.42Å |
| 68 | S | 98 | Very high | 97.4 | Very high | 70 Ų | 70 | 45 Ų | 45 | 49% | 0.49 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 176.5 | -66.1 | 0 | 0 | 0 | 0 | 112 | G64 R71 V72 | G64-S68 WeakPolarHBondContact O-CB 3.24Å; G64-S68 PolarHBondContact O-N 3.16Å; G64-S68 PolarHBondContact O-OG 2.69Å; G64-S68 VanDerWaalsContact O-OG 3.13Å; S68-R71 PolarHBondContact O-N 3.36Å; S68-V72 WeakPolarHBondContact O-CG2 3.32Å; S68-V72 PolarHBondContact O-N 3.19Å |
| 69 | A | 97.8 | Very high | 97.4 | Very high | 35 Ų | 35 | 53.9 Ų | 53.9 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A65 R66 R67 R71 V72 I73 M97 | A65-A69 WeakPolarHBondContact O-CB 3.35Å; A65-A69 PolarHBondContact O-N 3.01Å; R66-A69 PolarHBondContact O-N 2.71Å; R67-A69 PolarHBondContact O-N 2.73Å; A69-R71 PolarHBondContact O-N 2.53Å; A69-V72 PolarHBondContact O-N 2.7Å; A69-I73 WeakPolarHBondContact O-CD1 3.47Å; A69-I73 VanDerWaalsContact O-CG1 3.31Å; A69-I73 WeakPolarHBondContact O-CG1 3.47Å; A69-I73 PolarHBondContact O-N 3.45Å; A69-M97 HydrophobicContact CB-SD 4.03Å |
| 70 | W | 98.3 | Very high | 97.2 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 177.6 | 177.9 | 87.9 | 0 | 0 | 0 | 112 | R66 R67 V72 I73 H74 R94 M97 E98 E142 V143 | R66-W70 WeakPolarHBondContact O-CB 3.37Å; R66-W70 PolarHBondContact O-N 3.32Å; R67-W70 PolarHBondContact O-N 2.9Å; W70-V72 VanDerWaalsContact C-N 3.33Å; W70-V72 PolarHBondContact O-N 3.33Å; W70-I73 PolarHBondContact O-N 3.19Å; W70-H74 HydrophobicContact CD2-CB 4.47Å; W70-H74 HydrophobicContact CZ2-CB 4.32Å; W70-H74 VanDerWaalsContact O-CB 3.28Å; W70-H74 WeakPolarHBondContact O-CB 3.48Å; W70-H74 PolarHBondContact O-N 3.03Å; W70-R94 VanDerWaalsContact NE1-CG 3.31Å; W70-M97 HydrophobicContact CB-CB 4.11Å; W70-E98 VanDerWaalsContact CD1-CG 3.46Å; W70-E98 PolarHBondContact NE1-OE1 3.07Å; W70-E142 HydrophobicContact CH2-CG 4.38Å; W70-E142 WeakPolarHBondContact CH2-O 3.29Å; W70-E142 HydrophobicContact CZ3-CG 3.91Å; W70-V143 HydrophobicContact CD2-CG1 3.63Å; W70-V143 HydrophobicContact CE3-CG1 3.96Å; W70-V143 HydrophobicContact CG-CG1 4.09Å; W70-V143 HydrophobicContact CH2-CG1 4.16Å; W70-V143 HydrophobicContact CZ2-CB 4.18Å; W70-V143 HydrophobicContact CZ2-CG1 3.83Å; W70-V143 HydrophobicContact CZ3-CG1 4.22Å |
| 71 | R | 98 | Very high | 96.9 | Very high | 101 Ų | 101 | 52 Ų | 52 | 38% | 0.381 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.4 | -43.4 | 178.4 | -73.2 | 172.9 | 176.9 | -172 | -15.8 | 112.4 | R67 S68 A69 G75 E142 | R67-R71 WeakPolarHBondContact O-CG 3.31Å; R67-R71 PolarHBondContact O-N 3.17Å; S68-R71 PolarHBondContact O-N 3.36Å; A69-R71 PolarHBondContact O-N 2.53Å; R71-G75 PolarHBondContact O-N 3.35Å; R71-E142 IonicContact CZ-OE1 2.61Å; R71-E142 IonicContact NE-OE1 2.64Å; R71-E142 PolarHBondContact NE-OE1 3.06Å; R71-E142 IonicContact NH2-OE1 2.79Å; R71-E142 PolarHBondContact NH2-OE1 3.39Å; R71-E142 IonicContact NH2-OE2 3.07Å |
| 72 | V | 98.2 | Very high | 96.7 | Very high | 100 Ų | 100 | 57.3 Ų | 57.3 | 61% | 0.606 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.7 | -44.3 | 177.8 | 171 | 0 | 0 | 0 | 0 | 111.4 | S68 A69 W70 S76 | S68-V72 WeakPolarHBondContact O-CG2 3.32Å; S68-V72 PolarHBondContact O-N 3.19Å; A69-V72 PolarHBondContact O-N 2.7Å; W70-V72 VanDerWaalsContact C-N 3.33Å; W70-V72 PolarHBondContact O-N 3.33Å; V72-S76 PolarHBondContact O-N 3.4Å; V72-S76 PolarHBondContact O-OG 3.5Å |
| 73 | I | 98 | Very high | 96.7 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.087 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.6 | -46 | -179.3 | -67.2 | 159.7 | 0 | 0 | 0 | 110.5 | A69 W70 G75 S76 E77 A90 Y93 R94 M97 | A69-I73 WeakPolarHBondContact O-CD1 3.47Å; A69-I73 VanDerWaalsContact O-CG1 3.31Å; A69-I73 WeakPolarHBondContact O-CG1 3.47Å; A69-I73 PolarHBondContact O-N 3.45Å; W70-I73 PolarHBondContact O-N 3.19Å; I73-G75 VanDerWaalsContact C-N 3.34Å; I73-G75 PolarHBondContact O-N 3.46Å; I73-S76 CarbonylContact O-C 3.46Å; I73-S76 WeakPolarHBondContact O-CA 3.33Å; I73-S76 WeakPolarHBondContact O-CB 3.38Å; I73-S76 PolarHBondContact O-N 2.92Å; I73-E77 PolarHBondContact O-N 3.27Å; I73-A90 VanDerWaalsContact CG2-O 3.28Å; I73-A90 WeakPolarHBondContact CG2-O 3.48Å; I73-Y93 HydrophobicContact CD1-CD1 3.57Å; I73-Y93 HydrophobicContact CD1-CD2 4.03Å; I73-Y93 HydrophobicContact CD1-CE1 3.55Å; I73-Y93 HydrophobicContact CD1-CE2 4.01Å; I73-Y93 HydrophobicContact CD1-CG 3.82Å; I73-Y93 HydrophobicContact CG1-CD1 3.98Å; I73-Y93 HydrophobicContact CG1-CE1 4.16Å; I73-Y93 HydrophobicContact CG1-CG 4.49Å; I73-Y93 HydrophobicContact CG2-CD1 4.46Å; I73-Y93 HydrophobicContact CG2-CG 4.43Å; I73-R94 HydrophobicContact CG2-CB 3.95Å; I73-M97 HydrophobicContact CD1-CG 3.58Å; I73-M97 HydrophobicContact CD1-SD 4.34Å |
| 74 | H | 96.8 | Very high | 96.6 | Very high | 63 Ų | 63 | 70.2 Ų | 70.2 | 29% | 0.292 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 175.5 | -177.9 | 60.8 | 0 | 0 | 0 | 111.5 | W70 S76 E77 M78 R94 | W70-H74 HydrophobicContact CD2-CB 4.47Å; W70-H74 HydrophobicContact CZ2-CB 4.32Å; W70-H74 VanDerWaalsContact O-CB 3.28Å; W70-H74 WeakPolarHBondContact O-CB 3.48Å; W70-H74 PolarHBondContact O-N 3.03Å; H74-S76 VanDerWaalsContact C-N 3.26Å; H74-S76 PolarHBondContact O-N 2.91Å; H74-E77 IonicContact ND1-OE2 3.11Å; H74-E77 WeakPolarHBondContact O-CB 3.45Å; H74-E77 PolarHBondContact O-N 3.1Å; H74-M78 WeakPolarHBondContact O-CG 3.41Å; H74-M78 PolarHBondContact O-N 3.47Å; H74-R94 WeakPolarHBondContact ND1-CD 3.23Å |
| 75 | G | 96.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 73.6 Ų | 73.6 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.7 | -30.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R71 I73 K79 | R71-G75 PolarHBondContact O-N 3.35Å; I73-G75 VanDerWaalsContact C-N 3.34Å; I73-G75 PolarHBondContact O-N 3.46Å; G75-K79 WeakPolarHBondContact O-CG 3.46Å; G75-K79 PolarHBondContact O-N 3.46Å |
| 76 | S | 96.3 | Very high | 96.6 | Very high | 61 Ų | 61 | 77.2 Ų | 77.2 | 43% | 0.427 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -74.3 | -38.6 | 175 | -57.3 | 0 | 0 | 0 | 0 | 112 | V72 I73 H74 K79 A80 | V72-S76 PolarHBondContact O-N 3.4Å; V72-S76 PolarHBondContact O-OG 3.5Å; I73-S76 CarbonylContact O-C 3.46Å; I73-S76 WeakPolarHBondContact O-CA 3.33Å; I73-S76 WeakPolarHBondContact O-CB 3.38Å; I73-S76 PolarHBondContact O-N 2.92Å; H74-S76 VanDerWaalsContact C-N 3.26Å; H74-S76 PolarHBondContact O-N 2.91Å; S76-K79 PolarHBondContact O-N 3.19Å; S76-A80 WeakPolarHBondContact O-CB 3.4Å; S76-A80 PolarHBondContact O-N 3.37Å; S76-A80 VanDerWaalsContact O-N 3.11Å |
| 77 | E | 96.2 | Very high | 96.6 | Very high | 11 Ų | 11 | 79.5 Ų | 79.5 | 5% | 0.051 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 173.5 | -173.4 | -170.6 | 164.7 | 0 | 0 | 111.1 | I73 H74 K79 A80 K87 A90 E91 R94 | I73-E77 PolarHBondContact O-N 3.27Å; H74-E77 IonicContact ND1-OE2 3.11Å; H74-E77 WeakPolarHBondContact O-CB 3.45Å; H74-E77 PolarHBondContact O-N 3.1Å; E77-K79 PolarHBondContact O-N 2.75Å; E77-A80 PolarHBondContact O-N 2.68Å; E77-K87 HydrophobicContact CG-CG 4.41Å; E77-A90 HydrophobicContact CB-CB 3.74Å; E77-A90 HydrophobicContact CG-CB 4.22Å; E77-E91 HydrophobicContact CG-CB 4.41Å; E77-R94 IonicContact OE1-NE 3.98Å; E77-R94 IonicContact OE1-NH2 3.35Å; E77-R94 WeakPolarHBondContact OE2-CD 3.49Å; E77-R94 IonicContact OE2-CZ 3.05Å; E77-R94 IonicContact OE2-NE 3.78Å; E77-R94 PolarHBondContact OE2-NE 3.37Å |
| 78 | M | 95.1 | Very high | 96.6 | Very high | 99 Ų | 99 | 83.3 Ų | 83.3 | 49% | 0.488 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.3 | -27.1 | 177.8 | -66.8 | -57.6 | 102 | 0 | 0 | 113.2 | H74 V81 | H74-M78 WeakPolarHBondContact O-CG 3.41Å; H74-M78 PolarHBondContact O-N 3.47Å; M78-V81 WeakPolarHBondContact O-CG2 3.29Å |
| 79 | K | 96.5 | Very high | 96.6 | Very high | 186 Ų | 186 | 85 Ų | 85 | 81% | 0.809 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -83.4 | -18.6 | 175.3 | -70.9 | 171.3 | -175.6 | 176.3 | 0 | 113.1 | G75 S76 E77 V81 | G75-K79 WeakPolarHBondContact O-CG 3.46Å; G75-K79 PolarHBondContact O-N 3.46Å; S76-K79 PolarHBondContact O-N 3.19Å; E77-K79 PolarHBondContact O-N 2.75Å; K79-V81 VanDerWaalsContact C-N 3.3Å; K79-V81 PolarHBondContact O-N 3.11Å |
| 80 | A | 94.5 | Very high | 96.6 | Very high | 12 Ų | 12 | 84 Ų | 84 | 10% | 0.099 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 12.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S76 E77 N82 D83 K86 K87 | S76-A80 WeakPolarHBondContact O-CB 3.4Å; S76-A80 PolarHBondContact O-N 3.37Å; S76-A80 VanDerWaalsContact O-N 3.11Å; E77-A80 PolarHBondContact O-N 2.68Å; A80-N82 PolarHBondContact O-N 2.73Å; A80-D83 CarbonylContact O-C 3.51Å; A80-D83 PolarHBondContact O-N 2.74Å; A80-D83 VanDerWaalsContact O-O 3.07Å; A80-K86 HydrophobicContact CB-CB 3.85Å; A80-K87 HydrophobicContact CB-CB 4.08Å |
| 81 | V | 91.8 | Very high | 96.6 | Very high | 87 Ų | 87 | 86.6 Ų | 86.6 | 53% | 0.527 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -32.9 | -174 | 172.2 | 0 | 0 | 0 | 0 | 113.7 | M78 K79 | M78-V81 WeakPolarHBondContact O-CG2 3.29Å; K79-V81 VanDerWaalsContact C-N 3.3Å; K79-V81 PolarHBondContact O-N 3.11Å |
| 82 | N | 94.6 | Very high | 96.6 | Very high | 167 Ų | 167 | 87.3 Ų | 87.3 | 89% | 0.893 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -2.7 | -179.4 | -62.8 | -35.7 | 0 | 0 | 0 | 114.4 | A80 | A80-N82 PolarHBondContact O-N 2.73Š|
| 83 | D | 96.8 | Very high | 96.5 | Very high | 53 Ų | 53 | 88.3 Ų | 88.3 | 28% | 0.283 | 43% | 0.434 | S | S | . | . | trans | -123.8 | 94.7 | -179.7 | -174.7 | -29.9 | 0 | 0 | 0 | 109.1 | A80 T85 K86 K87 | A80-D83 CarbonylContact O-C 3.51Å; A80-D83 PolarHBondContact O-N 2.74Å; A80-D83 VanDerWaalsContact O-O 3.07Å; D83-T85 VanDerWaalsContact C-N 3.26Å; D83-T85 PolarHBondContact O-N 3.27Å; D83-T85 PolarHBondContact OD1-N 2.92Å; D83-K86 HydrophobicContact CB-CB 4.05Å; D83-K86 HydrophobicContact CB-CD 4.21Å; D83-K86 HydrophobicContact CB-CG 4.32Å; D83-K86 PolarHBondContact O-N 3.47Å; D83-K86 PolarHBondContact OD1-N 3.04Å; D83-K86 WeakPolarHBondContact OD2-CD 3.25Å; D83-K86 WeakPolarHBondContact OD2-CE 3.45Å; D83-K86 WeakPolarHBondContact OD2-CG 3.23Å; D83-K86 IonicContact OD2-NZ 2.84Å; D83-K86 PolarHBondContact OD2-NZ 3.06Å; D83-K87 WeakPolarHBondContact O-CB 3.46Å; D83-K87 PolarHBondContact O-N 3.32Å | ||
| 84 | R | 95.5 | Very high | 96.5 | Very high | 223 Ų | 223 | 89.2 Ų | 89.2 | 84% | 0.842 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -54.4 | -41 | -174.8 | -70.8 | -173.3 | -70.8 | -169.9 | -2.7 | 112.8 | Q88 | R84-Q88 WeakPolarHBondContact O-CB 3.41Å; R84-Q88 PolarHBondContact O-N 3.35Å |
| 85 | T | 97.2 | Very high | 96.5 | Very high | 95 Ų | 95 | 90.3 Ų | 90.3 | 58% | 0.583 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68.9 | -46 | -178.7 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | D83 Q88 I89 | D83-T85 VanDerWaalsContact C-N 3.26Å; D83-T85 PolarHBondContact O-N 3.27Å; D83-T85 PolarHBondContact OD1-N 2.92Å; T85-Q88 PolarHBondContact O-N 3.31Å; T85-I89 HydrophobicContact CG2-CD1 3.98Å; T85-I89 VanDerWaalsContact O-CG1 3.31Å; T85-I89 WeakPolarHBondContact O-CG1 3.3Å; T85-I89 PolarHBondContact O-N 2.86Å; T85-I89 VanDerWaalsContact O-N 3.09Å |
| 86 | K | 97.1 | Very high | 96.6 | Very high | 131 Ų | 131 | 94.7 Ų | 94.7 | 57% | 0.57 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.8 | -40.3 | 176.4 | -72 | -178.1 | -167.7 | 149.9 | 0 | 112.3 | A80 D83 I89 A90 | A80-K86 HydrophobicContact CB-CB 3.85Å; D83-K86 HydrophobicContact CB-CB 4.05Å; D83-K86 HydrophobicContact CB-CD 4.21Å; D83-K86 HydrophobicContact CB-CG 4.32Å; D83-K86 PolarHBondContact O-N 3.47Å; D83-K86 PolarHBondContact OD1-N 3.04Å; D83-K86 WeakPolarHBondContact OD2-CD 3.25Å; D83-K86 WeakPolarHBondContact OD2-CE 3.45Å; D83-K86 WeakPolarHBondContact OD2-CG 3.23Å; D83-K86 IonicContact OD2-NZ 2.84Å; D83-K86 PolarHBondContact OD2-NZ 3.06Å; K86-I89 PolarHBondContact O-N 3.47Å; K86-A90 WeakPolarHBondContact O-CB 3.46Å; K86-A90 PolarHBondContact O-N 3.29Å |
| 87 | K | 97.6 | Very high | 96.6 | Very high | 80 Ų | 80 | 92.3 Ų | 92.3 | 35% | 0.348 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.4 | -49.9 | 177 | -176.2 | 177.8 | 176.2 | -179.6 | 0 | 110.8 | E77 A80 D83 I89 A90 E91 | E77-K87 HydrophobicContact CG-CG 4.41Å; A80-K87 HydrophobicContact CB-CB 4.08Å; D83-K87 WeakPolarHBondContact O-CB 3.46Å; D83-K87 PolarHBondContact O-N 3.32Å; K87-I89 PolarHBondContact O-N 3.32Å; K87-A90 PolarHBondContact O-N 3.1Å; K87-E91 WeakPolarHBondContact O-CB 3.49Å; K87-E91 PolarHBondContact O-N 3.14Å |
| 88 | Q | 97.7 | Very high | 96.6 | Very high | 109 Ų | 109 | 93.1 Ų | 93.1 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 179.4 | -176.9 | -179.9 | -8.4 | 0 | 0 | 112 | R84 T85 A90 E91 E92 | R84-Q88 WeakPolarHBondContact O-CB 3.41Å; R84-Q88 PolarHBondContact O-N 3.35Å; T85-Q88 PolarHBondContact O-N 3.31Å; Q88-A90 VanDerWaalsContact C-N 3.33Å; Q88-A90 PolarHBondContact O-N 2.97Å; Q88-E91 PolarHBondContact O-N 3.25Å; Q88-E92 WeakPolarHBondContact CG-OE1 3.43Å; Q88-E92 PolarHBondContact NE2-OE1 3.33Å; Q88-E92 WeakPolarHBondContact O-CG 3.37Å; Q88-E92 PolarHBondContact O-N 2.79Å |
| 89 | I | 98 | Very high | 96.7 | Very high | 105 Ų | 105 | 95.8 Ų | 95.8 | 54% | 0.538 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 177.9 | -68 | 166.6 | 0 | 0 | 0 | 111.1 | T85 K86 K87 Y93 | T85-I89 HydrophobicContact CG2-CD1 3.98Å; T85-I89 VanDerWaalsContact O-CG1 3.31Å; T85-I89 WeakPolarHBondContact O-CG1 3.3Å; T85-I89 PolarHBondContact O-N 2.86Å; T85-I89 VanDerWaalsContact O-N 3.09Å; K86-I89 PolarHBondContact O-N 3.47Å; K87-I89 PolarHBondContact O-N 3.32Å; I89-Y93 WeakPolarHBondContact O-CB 3.29Å; I89-Y93 PolarHBondContact O-N 2.88Å; I89-Y93 VanDerWaalsContact O-N 3.08Å |
| 90 | A | 97.9 | Very high | 96.7 | Very high | 13 Ų | 13 | 88.8 Ų | 88.8 | 11% | 0.107 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I73 E77 K86 K87 Q88 Y93 R94 | I73-A90 VanDerWaalsContact CG2-O 3.28Å; I73-A90 WeakPolarHBondContact CG2-O 3.48Å; E77-A90 HydrophobicContact CB-CB 3.74Å; E77-A90 HydrophobicContact CG-CB 4.22Å; K86-A90 WeakPolarHBondContact O-CB 3.46Å; K86-A90 PolarHBondContact O-N 3.29Å; K87-A90 PolarHBondContact O-N 3.1Å; Q88-A90 VanDerWaalsContact C-N 3.33Å; Q88-A90 PolarHBondContact O-N 2.97Å; A90-Y93 PolarHBondContact O-N 3.32Å; A90-R94 WeakPolarHBondContact O-CB 3.44Å; A90-R94 PolarHBondContact O-N 3.43Å |
| 91 | E | 97.6 | Very high | 96.9 | Very high | 78 Ų | 78 | 88.2 Ų | 88.2 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.4 | -50 | 176.3 | -178.3 | 178.1 | -178.1 | 0 | 0 | 111.7 | E77 K87 Q88 Y93 R94 I95 | E77-E91 HydrophobicContact CG-CB 4.41Å; K87-E91 WeakPolarHBondContact O-CB 3.49Å; K87-E91 PolarHBondContact O-N 3.14Å; Q88-E91 PolarHBondContact O-N 3.25Å; E91-Y93 PolarHBondContact O-N 2.63Å; E91-R94 WeakPolarHBondContact O-CB 3.39Å; E91-R94 PolarHBondContact O-N 2.82Å; E91-R94 VanDerWaalsContact O-N 3.16Å; E91-I95 HydrophobicContact CG-CD1 4.1Å; E91-I95 WeakPolarHBondContact O-CG1 3.42Å; E91-I95 PolarHBondContact O-N 3.19Å |
| 92 | E | 97.9 | Very high | 97.2 | Very high | 116 Ų | 116 | 86.7 Ų | 86.7 | 54% | 0.542 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.2 | -39.6 | 176.8 | -73.6 | 174.8 | -166.8 | 0 | 0 | 111.5 | Q88 K96 | Q88-E92 WeakPolarHBondContact CG-OE1 3.43Å; Q88-E92 PolarHBondContact NE2-OE1 3.33Å; Q88-E92 WeakPolarHBondContact O-CG 3.37Å; Q88-E92 PolarHBondContact O-N 2.79Å; E92-K96 PolarHBondContact O-N 2.97Å |
| 93 | Y | 97.9 | Very high | 97.3 | Very high | 121 Ų | 121 | 81.6 Ų | 81.6 | 48% | 0.475 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -72.4 | -39.1 | 177.5 | -164.4 | -170.9 | 0 | 0 | 0 | 112.2 | I73 I89 A90 E91 I95 K96 M97 | I73-Y93 HydrophobicContact CD1-CD1 3.57Å; I73-Y93 HydrophobicContact CD1-CD2 4.03Å; I73-Y93 HydrophobicContact CD1-CE1 3.55Å; I73-Y93 HydrophobicContact CD1-CE2 4.01Å; I73-Y93 HydrophobicContact CD1-CG 3.82Å; I73-Y93 HydrophobicContact CG1-CD1 3.98Å; I73-Y93 HydrophobicContact CG1-CE1 4.16Å; I73-Y93 HydrophobicContact CG1-CG 4.49Å; I73-Y93 HydrophobicContact CG2-CD1 4.46Å; I73-Y93 HydrophobicContact CG2-CG 4.43Å; I89-Y93 WeakPolarHBondContact O-CB 3.29Å; I89-Y93 PolarHBondContact O-N 2.88Å; I89-Y93 VanDerWaalsContact O-N 3.08Å; A90-Y93 PolarHBondContact O-N 3.32Å; E91-Y93 PolarHBondContact O-N 2.63Å; Y93-I95 PolarHBondContact O-N 2.9Å; Y93-K96 HydrophobicContact CD2-CB 4.48Å; Y93-K96 WeakPolarHBondContact O-CB 3.26Å; Y93-K96 PolarHBondContact O-N 3.31Å; Y93-M97 HydrophobicContact CD2-CE 4.32Å; Y93-M97 HydrophobicContact CD2-CG 4.25Å; Y93-M97 HydrophobicContact CE2-CE 3.71Å; Y93-M97 HydrophobicContact CE2-CG 4.16Å; Y93-M97 HydrophobicContact CE2-SD 4.04Å; Y93-M97 PolarHBondContact O-N 3.49Å |
| 94 | R | 97.6 | Very high | 97.3 | Very high | 36 Ų | 36 | 79.5 Ų | 79.5 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.2 | -51.2 | 174.2 | -178.4 | -175.1 | 52.4 | 90 | 1.1 | 110.2 | W70 I73 H74 E77 A90 E91 K96 M97 E98 | W70-R94 VanDerWaalsContact NE1-CG 3.31Å; I73-R94 HydrophobicContact CG2-CB 3.95Å; H74-R94 WeakPolarHBondContact ND1-CD 3.23Å; E77-R94 IonicContact OE1-NE 3.98Å; E77-R94 IonicContact OE1-NH2 3.35Å; E77-R94 WeakPolarHBondContact OE2-CD 3.49Å; E77-R94 IonicContact OE2-CZ 3.05Å; E77-R94 IonicContact OE2-NE 3.78Å; E77-R94 PolarHBondContact OE2-NE 3.37Å; A90-R94 WeakPolarHBondContact O-CB 3.44Å; A90-R94 PolarHBondContact O-N 3.43Å; E91-R94 WeakPolarHBondContact O-CB 3.39Å; E91-R94 PolarHBondContact O-N 2.82Å; E91-R94 VanDerWaalsContact O-N 3.16Å; R94-K96 PolarHBondContact O-N 3.25Å; R94-M97 WeakPolarHBondContact O-CA 3.47Å; R94-M97 WeakPolarHBondContact O-CB 3.21Å; R94-M97 PolarHBondContact O-N 3.4Å; R94-E98 WeakPolarHBondContact CD-OE1 3.43Å; R94-E98 HydrophobicContact CG-CG 4.42Å; R94-E98 WeakPolarHBondContact CG-OE1 3.47Å; R94-E98 IonicContact CZ-OE1 3.76Å; R94-E98 IonicContact NE-OE1 3.59Å; R94-E98 VanDerWaalsContact NH1-CD 3.28Å; R94-E98 IonicContact NH1-OE1 3.92Å; R94-E98 PolarHBondContact NH1-OE1 2.96Å; R94-E98 IonicContact NH1-OE2 3.75Å; R94-E98 PolarHBondContact NH1-OE2 3.5Å; R94-E98 WeakPolarHBondContact O-CG 3.03Å; R94-E98 PolarHBondContact O-N 3.13Å |
| 95 | I | 97.3 | Very high | 97.5 | Very high | 85 Ų | 85 | 68.9 Ų | 68.9 | 44% | 0.436 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.2 | -38.3 | 179.5 | -68.2 | 166.2 | 0 | 0 | 0 | 111.3 | E91 Y93 E98 K99 | E91-I95 HydrophobicContact CG-CD1 4.1Å; E91-I95 WeakPolarHBondContact O-CG1 3.42Å; E91-I95 PolarHBondContact O-N 3.19Å; Y93-I95 PolarHBondContact O-N 2.9Å; I95-E98 PolarHBondContact O-N 3.43Å; I95-K99 PolarHBondContact O-N 3.49Å |
| 96 | K | 97 | Very high | 97.5 | Very high | 120 Ų | 120 | 68.2 Ų | 68.2 | 52% | 0.522 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 175 | -174 | 178.6 | 178.1 | -179.9 | 0 | 112.2 | E92 Y93 R94 E98 K99 E100 | E92-K96 PolarHBondContact O-N 2.97Å; Y93-K96 HydrophobicContact CD2-CB 4.48Å; Y93-K96 WeakPolarHBondContact O-CB 3.26Å; Y93-K96 PolarHBondContact O-N 3.31Å; R94-K96 PolarHBondContact O-N 3.25Å; K96-E98 VanDerWaalsContact C-N 3.35Å; K96-K99 PolarHBondContact O-N 2.95Å; K96-E100 WeakPolarHBondContact O-CG 3.3Å; K96-E100 PolarHBondContact O-N 3.4Å |
| 97 | M | 96.5 | Very high | 97.6 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 5% | 0.054 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 176 | -65.4 | -63.4 | 86.3 | 0 | 0 | 112.1 | A69 W70 I73 Y93 R94 K99 E100 L101 | A69-M97 HydrophobicContact CB-SD 4.03Å; W70-M97 HydrophobicContact CB-CB 4.11Å; I73-M97 HydrophobicContact CD1-CG 3.58Å; I73-M97 HydrophobicContact CD1-SD 4.34Å; Y93-M97 HydrophobicContact CD2-CE 4.32Å; Y93-M97 HydrophobicContact CD2-CG 4.25Å; Y93-M97 HydrophobicContact CE2-CE 3.71Å; Y93-M97 HydrophobicContact CE2-CG 4.16Å; Y93-M97 HydrophobicContact CE2-SD 4.04Å; Y93-M97 PolarHBondContact O-N 3.49Å; R94-M97 WeakPolarHBondContact O-CA 3.47Å; R94-M97 WeakPolarHBondContact O-CB 3.21Å; R94-M97 PolarHBondContact O-N 3.4Å; M97-K99 VanDerWaalsContact C-N 3.34Å; M97-K99 PolarHBondContact O-N 3.33Å; M97-E100 HydrophobicContact CE-CG 4.44Å; M97-E100 PolarHBondContact O-N 3.45Å; M97-L101 WeakPolarHBondContact O-CB 3.05Å; M97-L101 PolarHBondContact O-N 2.86Å |
| 98 | E | 97.5 | Very high | 97.6 | Very high | 28 Ų | 28 | 61.5 Ų | 61.5 | 13% | 0.131 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 174.3 | -68.4 | 172.9 | 176.8 | 0 | 0 | 110.8 | W70 R94 I95 K96 E100 L101 N102 V143 | W70-E98 VanDerWaalsContact CD1-CG 3.46Å; W70-E98 PolarHBondContact NE1-OE1 3.07Å; R94-E98 WeakPolarHBondContact CD-OE1 3.43Å; R94-E98 HydrophobicContact CG-CG 4.42Å; R94-E98 WeakPolarHBondContact CG-OE1 3.47Å; R94-E98 IonicContact CZ-OE1 3.76Å; R94-E98 IonicContact NE-OE1 3.59Å; R94-E98 VanDerWaalsContact NH1-CD 3.28Å; R94-E98 IonicContact NH1-OE1 3.92Å; R94-E98 PolarHBondContact NH1-OE1 2.96Å; R94-E98 IonicContact NH1-OE2 3.75Å; R94-E98 PolarHBondContact NH1-OE2 3.5Å; R94-E98 WeakPolarHBondContact O-CG 3.03Å; R94-E98 PolarHBondContact O-N 3.13Å; I95-E98 PolarHBondContact O-N 3.43Å; K96-E98 VanDerWaalsContact C-N 3.35Å; E98-E100 VanDerWaalsContact C-N 3.33Å; E98-E100 PolarHBondContact O-N 3.05Å; E98-L101 PolarHBondContact O-N 3.08Å; E98-N102 VanDerWaalsContact O-CB 3.28Å; E98-N102 WeakPolarHBondContact O-CB 3.4Å; E98-N102 PolarHBondContact O-N 3.2Å; E98-N102 PolarHBondContact O-ND2 3.46Å; E98-V143 HydrophobicContact CG-CB 4.09Å |
| 99 | K | 97.2 | Very high | 97.6 | Very high | 155 Ų | 155 | 56.7 Ų | 56.7 | 67% | 0.674 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.1 | -43.2 | 177.6 | -175.1 | 174.9 | -179.3 | 174.3 | 0 | 112.2 | I95 K96 M97 T103 | I95-K99 PolarHBondContact O-N 3.49Å; K96-K99 PolarHBondContact O-N 2.95Å; M97-K99 VanDerWaalsContact C-N 3.34Å; M97-K99 PolarHBondContact O-N 3.33Å; K99-T103 WeakPolarHBondContact O-CB 3.37Å; K99-T103 PolarHBondContact O-N 2.97Å; K99-T103 PolarHBondContact O-OG1 3.4Å |
| 100 | E | 96.5 | Very high | 97.6 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 176.4 | -71.8 | -175.4 | -162.4 | 0 | 0 | 111.4 | R66 K96 M97 E98 T103 I104 | R66-E100 HydrophobicContact CG-CB 4.3Å; R66-E100 IonicContact NE-OE2 3.12Å; K96-E100 WeakPolarHBondContact O-CG 3.3Å; K96-E100 PolarHBondContact O-N 3.4Å; M97-E100 HydrophobicContact CE-CG 4.44Å; M97-E100 PolarHBondContact O-N 3.45Å; E98-E100 VanDerWaalsContact C-N 3.33Å; E98-E100 PolarHBondContact O-N 3.05Å; E100-T103 PolarHBondContact O-N 3.5Å; E100-I104 WeakPolarHBondContact O-CD1 2.94Å; E100-I104 WeakPolarHBondContact O-CG1 3.44Å; E100-I104 PolarHBondContact O-N 3.19Å |
| 101 | L | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.5 | -50 | 177.7 | -175 | 69.2 | 0 | 0 | 0 | 111.6 | V63 R66 R67 M97 E98 T103 I104 C105 V143 | V63-L101 HydrophobicContact CG2-CD1 3.38Å; R66-L101 HydrophobicContact CB-CB 4.47Å; R66-L101 HydrophobicContact CB-CD1 4.04Å; R67-L101 HydrophobicContact CG-CD1 3.65Å; R67-L101 HydrophobicContact CG-CD2 4.1Å; M97-L101 WeakPolarHBondContact O-CB 3.05Å; M97-L101 PolarHBondContact O-N 2.86Å; E98-L101 PolarHBondContact O-N 3.08Å; L101-T103 VanDerWaalsContact C-N 3.29Å; L101-T103 PolarHBondContact O-N 2.93Å; L101-I104 PolarHBondContact O-N 3.44Å; L101-C105 WeakPolarHBondContact O-CB 3.36Å; L101-C105 PolarHBondContact O-N 3.07Å; L101-C105 PolarHBondContact O-SG 3.26Å; L101-C105 VanDerWaalsContact O-SG 3.32Å; L101-V143 HydrophobicContact CD2-CB 4.34Å; L101-V143 HydrophobicContact CD2-CG1 3.49Å; L101-V143 VanDerWaalsContact CD2-CG1 3.49Å; L101-V143 HydrophobicContact CD2-CG2 3.89Å |
| 102 | N | 97.6 | Very high | 97.6 | Very high | 55 Ų | 55 | 49.4 Ų | 49.4 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.8 | -43.5 | 176.9 | -85.5 | -90.5 | 0 | 0 | 0 | 111.5 | E98 C105 N106 L140 | E98-N102 VanDerWaalsContact O-CB 3.28Å; E98-N102 WeakPolarHBondContact O-CB 3.4Å; E98-N102 PolarHBondContact O-N 3.2Å; E98-N102 PolarHBondContact O-ND2 3.46Å; N102-C105 PolarHBondContact O-N 2.8Å; N102-N106 VanDerWaalsContact O-CB 3.29Å; N102-N106 WeakPolarHBondContact O-CB 3.3Å; N102-N106 VanDerWaalsContact O-CG 3.27Å; N102-N106 PolarHBondContact O-N 3.02Å; N102-N106 PolarHBondContact O-ND2 3.04Å; N102-L140 HydrophobicContact CB-CD2 4.23Å; N102-L140 VanDerWaalsContact OD1-CD2 3.25Å; N102-L140 WeakPolarHBondContact OD1-CD2 3.44Å |
| 103 | T | 97.7 | Very high | 97.6 | Very high | 59 Ų | 59 | 49.4 Ų | 49.4 | 36% | 0.362 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 178.7 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | M1 K99 E100 L101 Q107 | M1-T103 HydrophobicContact CE-CG2 3.59Å; K99-T103 WeakPolarHBondContact O-CB 3.37Å; K99-T103 PolarHBondContact O-N 2.97Å; K99-T103 PolarHBondContact O-OG1 3.4Å; E100-T103 PolarHBondContact O-N 3.5Å; L101-T103 VanDerWaalsContact C-N 3.29Å; L101-T103 PolarHBondContact O-N 2.93Å; T103-Q107 WeakPolarHBondContact O-CB 3.36Å; T103-Q107 PolarHBondContact O-N 3.44Å |
| 104 | I | 97.7 | Very high | 97.5 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.046 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.3 | -47.4 | 179.1 | -66.5 | 154.5 | 0 | 0 | 0 | 110.5 | Y59 V62 V63 R66 E100 L101 Q107 V108 | Y59-I104 HydrophobicContact CD1-CG2 4.19Å; V62-I104 HydrophobicContact CG1-CD1 3.66Å; V62-I104 HydrophobicContact CG1-CG1 4.06Å; V62-I104 HydrophobicContact CG1-CG2 3.97Å; V63-I104 HydrophobicContact CB-CG2 4.38Å; R66-I104 HydrophobicContact CG-CD1 4.06Å; E100-I104 WeakPolarHBondContact O-CD1 2.94Å; E100-I104 WeakPolarHBondContact O-CG1 3.44Å; E100-I104 PolarHBondContact O-N 3.19Å; L101-I104 PolarHBondContact O-N 3.44Å; I104-Q107 WeakPolarHBondContact O-CB 3.31Å; I104-Q107 PolarHBondContact O-N 2.88Å; I104-V108 PolarHBondContact O-N 2.88Å; I104-V108 VanDerWaalsContact O-N 3.1Å |
| 105 | C | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.9 | -47.8 | -179.7 | -67.9 | 0 | 0 | 0 | 0 | 111.8 | L101 N102 Q107 V108 L109 Y136 L140 | L101-C105 WeakPolarHBondContact O-CB 3.36Å; L101-C105 PolarHBondContact O-N 3.07Å; L101-C105 PolarHBondContact O-SG 3.26Å; L101-C105 VanDerWaalsContact O-SG 3.32Å; N102-C105 PolarHBondContact O-N 2.8Å; C105-Q107 VanDerWaalsContact C-N 3.27Å; C105-Q107 PolarHBondContact O-N 3.08Å; C105-V108 PolarHBondContact O-N 2.67Å; C105-V108 VanDerWaalsContact O-N 3.11Å; C105-L109 VanDerWaalsContact O-CG 3.3Å; C105-L109 WeakPolarHBondContact O-CG 3.43Å; C105-L109 PolarHBondContact O-N 3.27Å; C105-Y136 HydrophobicContact CB-CD1 4.04Å; C105-L140 HydrophobicContact CB-CD1 4.16Å; C105-L140 HydrophobicContact CB-CD2 3.59Å; C105-L140 HydrophobicContact CB-CG 3.72Å |
| 106 | N | 98.3 | Very high | 97.4 | Very high | 82 Ų | 82 | 46.1 Ų | 46.1 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.1 | -32.5 | 178.7 | -71.4 | -35.7 | 0 | 0 | 0 | 112.4 | N102 L109 A110 | N102-N106 VanDerWaalsContact O-CB 3.29Å; N102-N106 WeakPolarHBondContact O-CB 3.3Å; N102-N106 VanDerWaalsContact O-CG 3.27Å; N102-N106 PolarHBondContact O-N 3.02Å; N102-N106 PolarHBondContact O-ND2 3.04Å; N106-L109 PolarHBondContact O-N 3.21Å; N106-A110 WeakPolarHBondContact O-CB 3.42Å; N106-A110 PolarHBondContact O-N 2.93Å |
| 107 | Q | 97.7 | Very high | 97.3 | Very high | 68 Ų | 68 | 42.4 Ų | 42.4 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 172.6 | -174.3 | -177.5 | -98.6 | 0 | 0 | 111.8 | K38 Y59 T103 I104 C105 A110 L111 | K38-Q107 HydrophobicContact CD-CG 4.17Å; Y59-Q107 VanDerWaalsContact CE1-NE2 3.26Å; Y59-Q107 PolarHBondContact OH-NE2 2.94Å; T103-Q107 WeakPolarHBondContact O-CB 3.36Å; T103-Q107 PolarHBondContact O-N 3.44Å; I104-Q107 WeakPolarHBondContact O-CB 3.31Å; I104-Q107 PolarHBondContact O-N 2.88Å; C105-Q107 VanDerWaalsContact C-N 3.27Å; C105-Q107 PolarHBondContact O-N 3.08Å; Q107-A110 PolarHBondContact O-N 3.42Å; Q107-L111 WeakPolarHBondContact O-CG 3.4Å; Q107-L111 PolarHBondContact O-N 2.84Å |
| 108 | V | 98.2 | Very high | 97.1 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.8 | -43.1 | 177.1 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | Y59 I104 C105 A110 L111 L112 M132 Y136 | Y59-V108 HydrophobicContact CD1-CG2 3.3Å; Y59-V108 HydrophobicContact CD2-CG2 3.81Å; Y59-V108 HydrophobicContact CE1-CG2 3.63Å; Y59-V108 HydrophobicContact CE2-CG2 4.09Å; Y59-V108 HydrophobicContact CG-CG2 3.4Å; I104-V108 PolarHBondContact O-N 2.88Å; I104-V108 VanDerWaalsContact O-N 3.1Å; C105-V108 PolarHBondContact O-N 2.67Å; C105-V108 VanDerWaalsContact O-N 3.11Å; V108-A110 VanDerWaalsContact C-N 3.3Å; V108-A110 PolarHBondContact O-N 3.47Å; V108-L111 WeakPolarHBondContact O-CB 3.32Å; V108-L111 PolarHBondContact O-N 2.82Å; V108-L111 VanDerWaalsContact O-N 3.15Å; V108-L112 HydrophobicContact CG1-CD1 3.89Å; V108-L112 HydrophobicContact CG1-CG 4.29Å; V108-L112 VanDerWaalsContact O-CG 3.3Å; V108-L112 WeakPolarHBondContact O-CG 3.38Å; V108-L112 PolarHBondContact O-N 3.5Å; V108-M132 HydrophobicContact CG1-CE 3.79Å; V108-Y136 HydrophobicContact CB-CD1 3.94Å; V108-Y136 HydrophobicContact CB-CD2 4.31Å; V108-Y136 HydrophobicContact CB-CE1 3.93Å; V108-Y136 HydrophobicContact CB-CE2 4.38Å; V108-Y136 HydrophobicContact CB-CG 4.14Å; V108-Y136 HydrophobicContact CG1-CD1 4.1Å; V108-Y136 HydrophobicContact CG1-CD2 3.57Å; V108-Y136 HydrophobicContact CG1-CE1 4.05Å; V108-Y136 HydrophobicContact CG1-CE2 3.59Å; V108-Y136 HydrophobicContact CG1-CG 3.87Å; V108-Y136 HydrophobicContact CG2-CD1 4.21Å; V108-Y136 HydrophobicContact CG2-CE1 3.71Å |
| 109 | L | 98.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 177.3 | -69.2 | 169.2 | 0 | 0 | 0 | 111.5 | C105 N106 L112 E113 Q133 Y137 L140 | C105-L109 VanDerWaalsContact O-CG 3.3Å; C105-L109 WeakPolarHBondContact O-CG 3.43Å; C105-L109 PolarHBondContact O-N 3.27Å; N106-L109 PolarHBondContact O-N 3.21Å; L109-L112 PolarHBondContact O-N 3.47Å; L109-E113 WeakPolarHBondContact O-CB 3.5Å; L109-E113 PolarHBondContact O-N 3.36Å; L109-Q133 HydrophobicContact CD2-CG 3.84Å; L109-Y137 HydrophobicContact CD1-CD1 3.8Å; L109-Y137 HydrophobicContact CD1-CE1 3.47Å; L109-Y137 VanDerWaalsContact CD1-CE1 3.47Å; L109-Y137 HydrophobicContact CD1-CG 4.44Å; L109-Y137 HydrophobicContact CD2-CD1 4.35Å; L109-Y137 HydrophobicContact CD2-CD2 3.93Å; L109-Y137 HydrophobicContact CD2-CE1 4.11Å; L109-Y137 HydrophobicContact CD2-CE2 3.69Å; L109-Y137 HydrophobicContact CD2-CG 4.24Å; L109-Y137 HydrophobicContact CG-CE1 4.41Å; L109-L140 HydrophobicContact CD1-CD1 3.62Å |
| 110 | A | 98.2 | Very high | 95.9 | Very high | 39 Ų | 39 | 42 Ų | 42 | 32% | 0.322 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63 | -43.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N106 Q107 V108 L112 E113 D114 | N106-A110 WeakPolarHBondContact O-CB 3.42Å; N106-A110 PolarHBondContact O-N 2.93Å; Q107-A110 PolarHBondContact O-N 3.42Å; V108-A110 VanDerWaalsContact C-N 3.3Å; V108-A110 PolarHBondContact O-N 3.47Å; A110-L112 VanDerWaalsContact C-N 3.27Å; A110-L112 PolarHBondContact O-N 2.95Å; A110-E113 PolarHBondContact O-N 3.15Å; A110-D114 VanDerWaalsContact O-CB 3.25Å; A110-D114 WeakPolarHBondContact O-CB 3.17Å; A110-D114 PolarHBondContact O-N 3.07Å |
| 111 | L | 97.7 | Very high | 95.1 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.2 | -40 | 174.6 | -70.8 | 175.5 | 0 | 0 | 0 | 112.4 | K38 T41 E42 L55 Y59 Q107 V108 Y115 L116 | K38-L111 HydrophobicContact CB-CD1 4.36Å; K38-L111 HydrophobicContact CG-CD1 4.15Å; K38-L111 HydrophobicContact CG-CD2 4.13Å; T41-L111 HydrophobicContact CG2-CB 4.4Å; T41-L111 HydrophobicContact CG2-CD2 4Å; E42-L111 HydrophobicContact CG-CD2 3.74Å; L55-L111 HydrophobicContact CD1-CD1 4.44Å; Y59-L111 HydrophobicContact CE2-CD1 3.86Å; Q107-L111 WeakPolarHBondContact O-CG 3.4Å; Q107-L111 PolarHBondContact O-N 2.84Å; V108-L111 WeakPolarHBondContact O-CB 3.32Å; V108-L111 PolarHBondContact O-N 2.82Å; V108-L111 VanDerWaalsContact O-N 3.15Å; L111-Y115 HydrophobicContact CD2-CD2 4.15Å; L111-Y115 HydrophobicContact CD2-CE2 4.33Å; L111-Y115 WeakPolarHBondContact O-CB 3.39Å; L111-Y115 PolarHBondContact O-N 3.39Å; L111-L116 PolarHBondContact O-N 3.17Å |
| 112 | L | 97.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -67.3 | -47.5 | 178.5 | -68.5 | 167.4 | 0 | 0 | 0 | 111.4 | V108 L109 A110 L116 L117 F129 M132 Q133 | V108-L112 HydrophobicContact CG1-CD1 3.89Å; V108-L112 HydrophobicContact CG1-CG 4.29Å; V108-L112 VanDerWaalsContact O-CG 3.3Å; V108-L112 WeakPolarHBondContact O-CG 3.38Å; V108-L112 PolarHBondContact O-N 3.5Å; L109-L112 PolarHBondContact O-N 3.47Å; A110-L112 VanDerWaalsContact C-N 3.27Å; A110-L112 PolarHBondContact O-N 2.95Å; L112-L116 HydrophobicContact CD2-CB 4.44Å; L112-L116 HydrophobicContact CD2-CD1 3.9Å; L112-L116 PolarHBondContact O-N 2.97Å; L112-L117 HydrophobicContact CB-CD1 4.26Å; L112-L117 VanDerWaalsContact O-CB 3.23Å; L112-L117 WeakPolarHBondContact O-CB 3.43Å; L112-L117 WeakPolarHBondContact O-CG 3.48Å; L112-L117 PolarHBondContact O-N 3.02Å; L112-F129 HydrophobicContact CD2-CB 3.83Å; L112-F129 HydrophobicContact CD2-CD1 3.71Å; L112-F129 HydrophobicContact CD2-CG 4.08Å; L112-M132 HydrophobicContact CD1-CB 4.28Å; L112-M132 HydrophobicContact CD1-CG 4.15Å; L112-M132 HydrophobicContact CD2-CB 4.39Å; L112-M132 HydrophobicContact CD2-CG 4.46Å; L112-M132 HydrophobicContact CD2-SD 4.1Å; L112-Q133 HydrophobicContact CD1-CB 4Å |
| 113 | E | 96.9 | Very high | 93.9 | Very high | 115 Ų | 115 | 49.1 Ų | 49.1 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | I | π-helix | trans | -71.4 | -45 | -176.5 | -174.1 | 167.8 | -170.7 | 0 | 0 | 112.7 | L109 A110 P118 | L109-E113 WeakPolarHBondContact O-CB 3.5Å; L109-E113 PolarHBondContact O-N 3.36Å; A110-E113 PolarHBondContact O-N 3.15Å; E113-P118 VanDerWaalsContact O-CD 3.28Å; E113-P118 WeakPolarHBondContact O-CD 3.37Å; E113-P118 WeakPolarHBondContact O-CG 3.48Å |
| 114 | D | 96.3 | Very high | 93.5 | Very high | 102 Ų | 102 | 47.5 Ų | 47.5 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -84.4 | -28.9 | -170.6 | -63.7 | -24.8 | 0 | 0 | 0 | 113 | A110 | A110-D114 VanDerWaalsContact O-CB 3.25Å; A110-D114 WeakPolarHBondContact O-CB 3.17Å; A110-D114 PolarHBondContact O-N 3.07Å |
| 115 | Y | 95.9 | Very high | 93.3 | Very high | 70 Ų | 70 | 47.3 Ų | 47.3 | 28% | 0.275 | 27% | 0.267 | S | S | . | . | I | π-helix | trans | -123.3 | -50 | -170.8 | -56.2 | -89.3 | 0 | 0 | 0 | 113.2 | T41 E42 L111 N119 | T41-Y115 HydrophobicContact CG2-CG 4.49Å; E42-Y115 HydrophobicContact CB-CE1 4.15Å; E42-Y115 HydrophobicContact CG-CD2 4.49Å; E42-Y115 HydrophobicContact CG-CE1 4.29Å; E42-Y115 HydrophobicContact CG-CE2 3.89Å; L111-Y115 HydrophobicContact CD2-CD2 4.15Å; L111-Y115 HydrophobicContact CD2-CE2 4.33Å; L111-Y115 WeakPolarHBondContact O-CB 3.39Å; L111-Y115 PolarHBondContact O-N 3.39Å; Y115-N119 PolarHBondContact O-ND2 3.03Å |
| 116 | L | 96.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -87.7 | -49.5 | -164 | -60.9 | 171.5 | 0 | 0 | 0 | 113.9 | T41 L47 L55 L111 L112 N119 A120 F129 | T41-L116 HydrophobicContact CG2-CD1 4.01Å; T41-L116 HydrophobicContact CG2-CD2 3.69Å; T41-L116 HydrophobicContact CG2-CG 3.78Å; L47-L116 HydrophobicContact CD1-CD1 4.28Å; L47-L116 HydrophobicContact CD1-CD2 3.61Å; L47-L116 HydrophobicContact CD2-CD2 4.45Å; L47-L116 HydrophobicContact CG-CD2 3.55Å; L55-L116 HydrophobicContact CD2-CD1 3.56Å; L111-L116 PolarHBondContact O-N 3.17Å; L112-L116 HydrophobicContact CD2-CB 4.44Å; L112-L116 HydrophobicContact CD2-CD1 3.9Å; L112-L116 PolarHBondContact O-N 2.97Å; L116-N119 CarbonylContact O-C 3.59Å; L116-N119 PolarHBondContact O-N 3.25Å; L116-A120 WeakPolarHBondContact O-CB 3.45Å; L116-A120 PolarHBondContact O-N 3.4Å; L116-F129 HydrophobicContact CB-CD1 4.16Å; L116-F129 HydrophobicContact CB-CD2 3.92Å; L116-F129 HydrophobicContact CB-CE1 4.21Å; L116-F129 HydrophobicContact CB-CE2 3.95Å; L116-F129 HydrophobicContact CB-CG 4.05Å; L116-F129 HydrophobicContact CB-CZ 4.11Å; L116-F129 HydrophobicContact CD1-CD1 4.02Å; L116-F129 HydrophobicContact CD1-CE1 3.77Å; L116-F129 HydrophobicContact CD1-CZ 4.25Å; L116-F129 HydrophobicContact CD2-CE1 4.32Å; L116-F129 HydrophobicContact CD2-CE2 4.37Å; L116-F129 HydrophobicContact CD2-CZ 3.96Å; L116-F129 HydrophobicContact CG-CE1 4.33Å; L116-F129 HydrophobicContact CG-CZ 4.34Å |
| 117 | L | 95 | Very high | 93.1 | Very high | 41 Ų | 41 | 48 Ų | 48 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -40.4 | -179.8 | -72.7 | 168.8 | 0 | 0 | 0 | 113.1 | L112 N119 A120 F129 L130 | L112-L117 HydrophobicContact CB-CD1 4.26Å; L112-L117 VanDerWaalsContact O-CB 3.23Å; L112-L117 WeakPolarHBondContact O-CB 3.43Å; L112-L117 WeakPolarHBondContact O-CG 3.48Å; L112-L117 PolarHBondContact O-N 3.02Å; L117-N119 PolarHBondContact O-N 3.34Å; L117-A120 WeakPolarHBondContact O-CB 3.34Å; L117-A120 PolarHBondContact O-N 3.48Å; L117-F129 HydrophobicContact CD2-CB 3.61Å; L117-F129 HydrophobicContact CG-CB 4.15Å; L117-L130 HydrophobicContact CD1-CD2 4.46Å; L117-L130 HydrophobicContact CD2-CD2 3.81Å; L117-L130 HydrophobicContact CD2-CG 3.78Å |
| 118 | P | 93.3 | Very high | 93.1 | Very high | 88 Ų | 88 | 46.1 Ų | 46.1 | 57% | 0.571 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -29 | 175.3 | -25.1 | 35.9 | 0 | 0 | 0 | 113.6 | E113 | E113-P118 VanDerWaalsContact O-CD 3.28Å; E113-P118 WeakPolarHBondContact O-CD 3.37Å; E113-P118 WeakPolarHBondContact O-CG 3.48Å |
| 119 | N | 87.5 | Confident | 93 | Very high | 79 Ų | 79 | 46 Ų | 46 | 42% | 0.422 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 8.5 | -177.1 | -63.7 | -49 | 0 | 0 | 0 | 113.2 | G45 Y115 L116 L117 S121 | G45-N119 WeakPolarHBondContact O-CB 3.4Å; G45-N119 PolarHBondContact O-ND2 2.92Å; Y115-N119 PolarHBondContact O-ND2 3.03Å; L116-N119 CarbonylContact O-C 3.59Å; L116-N119 PolarHBondContact O-N 3.25Å; L117-N119 PolarHBondContact O-N 3.34Å; N119-S121 PolarHBondContact O-N 3.35Å |
| 120 | A | 82.2 | Confident | 93 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | trans | -72.8 | 93.8 | -172 | 0 | 0 | 0 | 0 | 0 | 112.1 | L116 L117 K126 F129 | L116-A120 WeakPolarHBondContact O-CB 3.45Å; L116-A120 PolarHBondContact O-N 3.4Å; L117-A120 WeakPolarHBondContact O-CB 3.34Å; L117-A120 PolarHBondContact O-N 3.48Å; A120-K126 HydrophobicContact CB-CB 3.99Å; A120-K126 HydrophobicContact CB-CG 4.49Å; A120-F129 HydrophobicContact CB-CD2 4.04Å | ||
| 121 | S | 78.9 | Confident | 93 | Very high | 89 Ų | 89 | 46.2 Ų | 46.2 | 62% | 0.622 | 25% | 0.25 | S | C | * | . | trans | -144.3 | 133.1 | 170 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | N119 | N119-S121 PolarHBondContact O-N 3.35Š| ||
| 122 | P | 84.8 | Confident | 93 | Very high | 82 Ų | 82 | 46.3 Ų | 46.3 | 53% | 0.532 | 25% | 0.25 | S | S | . | . | S | Bend | cis | -82.5 | -175.3 | 8.5 | 30.9 | -29.7 | 0 | 0 | 0 | 114.4 | D124 S125 | P122-D124 WeakPolarHBondContact CG-OD1 3.4Å; P122-D124 PolarHBondContact O-N 3.3Å; P122-D124 VanDerWaalsContact O-N 3.1Å; P122-S125 WeakPolarHBondContact O-CB 3.41Å; P122-S125 PolarHBondContact O-N 3.11Å |
| 123 | D | 84.5 | Confident | 93.1 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -50.6 | -35.4 | -173.6 | -74.9 | -17 | 0 | 0 | 0 | 114.1 | S125 K126 V127 N169 | D123-S125 VanDerWaalsContact C-N 3.28Å; D123-S125 PolarHBondContact O-N 3.12Å; D123-K126 WeakPolarHBondContact O-CB 3.3Å; D123-K126 PolarHBondContact O-N 2.81Å; D123-V127 WeakPolarHBondContact O-CG2 3.33Å; D123-V127 PolarHBondContact O-N 3.01Å; D123-N169 HydrophobicContact CB-CB 4.41Å; D123-N169 VanDerWaalsContact OD2-CB 3.3Å; D123-N169 WeakPolarHBondContact OD2-CB 3.35Å; D123-N169 PolarHBondContact OD2-ND2 3Å |
| 124 | D | 89.9 | Confident | 93.2 | Very high | 25 Ų | 25 | 41.8 Ų | 41.8 | 13% | 0.134 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -37.4 | 179.7 | 84.8 | -45 | 0 | 0 | 0 | 112.4 | R52 P122 V127 F128 L170 I176 | R52-D124 IonicContact CZ-OD2 3.58Å; R52-D124 IonicContact NH1-OD1 3.79Å; R52-D124 IonicContact NH1-OD2 3.24Å; R52-D124 PolarHBondContact NH1-OD2 3.05Å; R52-D124 IonicContact NH2-OD2 2.94Å; R52-D124 PolarHBondContact NH2-OD2 3.09Å; R52-D124 VanDerWaalsContact NH2-OD2 3.16Å; P122-D124 WeakPolarHBondContact CG-OD1 3.4Å; P122-D124 PolarHBondContact O-N 3.3Å; P122-D124 VanDerWaalsContact O-N 3.1Å; D124-V127 PolarHBondContact O-N 3.07Å; D124-F128 VanDerWaalsContact O-CB 3.31Å; D124-F128 WeakPolarHBondContact O-CB 3.3Å; D124-F128 PolarHBondContact O-N 3.37Å; D124-L170 HydrophobicContact CB-CD2 4.08Å; D124-I176 HydrophobicContact CB-CD1 4.11Å |
| 125 | S | 93.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.9 | -36.2 | 179.7 | -64.4 | 0 | 0 | 0 | 0 | 111 | R52 P122 D123 F128 F129 | R52-S125 PolarHBondContact NH1-OG 3.43Å; R52-S125 VanDerWaalsContact NH1-OG 3.11Å; P122-S125 WeakPolarHBondContact O-CB 3.41Å; P122-S125 PolarHBondContact O-N 3.11Å; D123-S125 VanDerWaalsContact C-N 3.28Å; D123-S125 PolarHBondContact O-N 3.12Å; S125-F128 WeakPolarHBondContact O-CB 3.48Å; S125-F128 PolarHBondContact O-N 2.92Å; S125-F129 WeakPolarHBondContact O-CD2 3.34Å; S125-F129 WeakPolarHBondContact O-CG 3.3Å; S125-F129 PolarHBondContact O-N 3.14Å |
| 126 | K | 95.2 | Very high | 93.4 | Very high | 97 Ų | 97 | 34.2 Ų | 34.2 | 42% | 0.422 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.2 | -47.4 | 172.9 | -173.6 | 178.4 | 179.2 | -179.2 | 0 | 111.3 | A120 D123 F128 F129 L130 A166 | A120-K126 HydrophobicContact CB-CB 3.99Å; A120-K126 HydrophobicContact CB-CG 4.49Å; D123-K126 WeakPolarHBondContact O-CB 3.3Å; D123-K126 PolarHBondContact O-N 2.81Å; K126-F128 VanDerWaalsContact C-N 3.32Å; K126-F128 PolarHBondContact O-N 2.61Å; K126-F129 PolarHBondContact O-N 3.17Å; K126-L130 HydrophobicContact CG-CD1 3.81Å; K126-L130 HydrophobicContact CG-CG 4.48Å; K126-L130 WeakPolarHBondContact O-CB 3.22Å; K126-L130 VanDerWaalsContact O-CG 3.27Å; K126-L130 WeakPolarHBondContact O-CG 3.43Å; K126-L130 PolarHBondContact O-N 3.31Å; K126-A166 HydrophobicContact CD-CB 4.37Å; K126-A166 HydrophobicContact CG-CB 4.5Å |
| 127 | V | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | D123 D124 K131 A166 A167 L170 I176 L180 | D123-V127 WeakPolarHBondContact O-CG2 3.33Å; D123-V127 PolarHBondContact O-N 3.01Å; D124-V127 PolarHBondContact O-N 3.07Å; V127-K131 WeakPolarHBondContact O-CB 3.44Å; V127-K131 PolarHBondContact O-N 3.27Å; V127-A166 VanDerWaalsContact CG2-C 3.49Å; V127-A166 HydrophobicContact CG2-CB 3.72Å; V127-A167 HydrophobicContact CG1-CB 3.87Å; V127-A167 HydrophobicContact CG2-CB 3.96Å; V127-L170 HydrophobicContact CB-CD1 4.15Å; V127-L170 HydrophobicContact CG1-CD1 4.33Å; V127-L170 HydrophobicContact CG2-CD1 3.9Å; V127-I176 HydrophobicContact CB-CG2 3.97Å; V127-I176 HydrophobicContact CG1-CG2 3.65Å; V127-L180 HydrophobicContact CG1-CD2 4.01Å |
| 128 | F | 96.5 | Very high | 93.7 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 12% | 0.118 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.2 | -52 | 178.2 | -173.2 | -82.6 | 0 | 0 | 0 | 112.3 | R52 D124 S125 K126 M132 I176 | R52-F128 HydrophobicContact CG-CD1 3.55Å; R52-F128 HydrophobicContact CG-CD2 4.28Å; R52-F128 HydrophobicContact CG-CE1 3.26Å; R52-F128 HydrophobicContact CG-CE2 4.03Å; R52-F128 HydrophobicContact CG-CG 4.06Å; R52-F128 HydrophobicContact CG-CZ 3.51Å; D124-F128 VanDerWaalsContact O-CB 3.31Å; D124-F128 WeakPolarHBondContact O-CB 3.3Å; D124-F128 PolarHBondContact O-N 3.37Å; S125-F128 WeakPolarHBondContact O-CB 3.48Å; S125-F128 PolarHBondContact O-N 2.92Å; K126-F128 VanDerWaalsContact C-N 3.32Å; K126-F128 PolarHBondContact O-N 2.61Å; F128-M132 HydrophobicContact CE1-SD 4.28Å; F128-M132 WeakPolarHBondContact O-CB 3.24Å; F128-M132 PolarHBondContact O-N 2.89Å; F128-I176 HydrophobicContact CB-CD1 4.3Å; F128-I176 HydrophobicContact CB-CG2 4.35Å; F128-I176 HydrophobicContact CD2-CD1 4.08Å; F128-I176 HydrophobicContact CD2-CG1 4.34Å |
| 129 | F | 97.5 | Very high | 94 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72.9 | -35.4 | -176.6 | -64.5 | -45.3 | 0 | 0 | 0 | 112.7 | L47 R52 L112 L116 L117 A120 S125 K126 M132 Q133 | L47-F129 HydrophobicContact CD1-CZ 4.43Å; R52-F129 HydrophobicContact CG-CE1 3.95Å; R52-F129 HydrophobicContact CG-CZ 4.07Å; L112-F129 HydrophobicContact CD2-CB 3.83Å; L112-F129 HydrophobicContact CD2-CD1 3.71Å; L112-F129 HydrophobicContact CD2-CG 4.08Å; L116-F129 HydrophobicContact CB-CD1 4.16Å; L116-F129 HydrophobicContact CB-CD2 3.92Å; L116-F129 HydrophobicContact CB-CE1 4.21Å; L116-F129 HydrophobicContact CB-CE2 3.95Å; L116-F129 HydrophobicContact CB-CG 4.05Å; L116-F129 HydrophobicContact CB-CZ 4.11Å; L116-F129 HydrophobicContact CD1-CD1 4.02Å; L116-F129 HydrophobicContact CD1-CE1 3.77Å; L116-F129 HydrophobicContact CD1-CZ 4.25Å; L116-F129 HydrophobicContact CD2-CE1 4.32Å; L116-F129 HydrophobicContact CD2-CE2 4.37Å; L116-F129 HydrophobicContact CD2-CZ 3.96Å; L116-F129 HydrophobicContact CG-CE1 4.33Å; L116-F129 HydrophobicContact CG-CZ 4.34Å; L117-F129 HydrophobicContact CD2-CB 3.61Å; L117-F129 HydrophobicContact CG-CB 4.15Å; A120-F129 HydrophobicContact CB-CD2 4.04Å; S125-F129 WeakPolarHBondContact O-CD2 3.34Å; S125-F129 WeakPolarHBondContact O-CG 3.3Å; S125-F129 PolarHBondContact O-N 3.14Å; K126-F129 PolarHBondContact O-N 3.17Å; F129-M132 PolarHBondContact O-N 3.39Å; F129-Q133 WeakPolarHBondContact O-CB 3.42Å; F129-Q133 PolarHBondContact O-N 3.26Å |
| 130 | L | 98.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 6% | 0.063 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.9 | -42 | 173.4 | -72.4 | 168.7 | 0 | 0 | 0 | 111.8 | L117 K126 M132 Q133 G134 K162 A163 A166 | L117-L130 HydrophobicContact CD1-CD2 4.46Å; L117-L130 HydrophobicContact CD2-CD2 3.81Å; L117-L130 HydrophobicContact CD2-CG 3.78Å; K126-L130 HydrophobicContact CG-CD1 3.81Å; K126-L130 HydrophobicContact CG-CG 4.48Å; K126-L130 WeakPolarHBondContact O-CB 3.22Å; K126-L130 VanDerWaalsContact O-CG 3.27Å; K126-L130 WeakPolarHBondContact O-CG 3.43Å; K126-L130 PolarHBondContact O-N 3.31Å; L130-M132 VanDerWaalsContact C-N 3.32Å; L130-M132 PolarHBondContact O-N 3.5Å; L130-Q133 WeakPolarHBondContact O-CB 3.41Å; L130-Q133 PolarHBondContact O-N 2.96Å; L130-G134 PolarHBondContact O-N 2.93Å; L130-K162 HydrophobicContact CD1-CB 4.04Å; L130-K162 HydrophobicContact CD2-CB 4.15Å; L130-A163 HydrophobicContact CB-CB 3.64Å; L130-A166 HydrophobicContact CD1-CB 4.41Å |
| 131 | K | 98.3 | Very high | 95.3 | Very high | 37 Ų | 37 | 26.6 Ų | 26.6 | 16% | 0.161 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.7 | -47.8 | 171.9 | 176.3 | -165.4 | 166.7 | -67.6 | 0 | 110.5 | V127 Q133 G134 D135 G179 L180 N183 | V127-K131 WeakPolarHBondContact O-CB 3.44Å; V127-K131 PolarHBondContact O-N 3.27Å; K131-Q133 VanDerWaalsContact C-N 3.33Å; K131-Q133 PolarHBondContact O-N 3.17Å; K131-G134 PolarHBondContact O-N 3.15Å; K131-D135 IonicContact NZ-OD2 2.84Å; K131-D135 PolarHBondContact NZ-OD2 3.07Å; K131-D135 VanDerWaalsContact O-CG 3.32Å; K131-D135 PolarHBondContact O-N 3.41Å; K131-G179 WeakPolarHBondContact CE-O 3.47Å; K131-L180 HydrophobicContact CB-CD1 4.04Å; K131-L180 HydrophobicContact CD-CB 4.12Å; K131-L180 HydrophobicContact CG-CB 4.28Å; K131-L180 HydrophobicContact CG-CD1 4.03Å; K131-N183 WeakPolarHBondContact CE-ND2 3.32Å; K131-N183 PolarHBondContact NZ-ND2 3.12Å |
| 132 | M | 98.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.03 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.3 | -45.1 | 177.3 | -167.2 | 174.2 | -177.9 | 0 | 0 | 110.5 | V108 L112 F128 F129 L130 G134 D135 Y136 | V108-M132 HydrophobicContact CG1-CE 3.79Å; L112-M132 HydrophobicContact CD1-CB 4.28Å; L112-M132 HydrophobicContact CD1-CG 4.15Å; L112-M132 HydrophobicContact CD2-CB 4.39Å; L112-M132 HydrophobicContact CD2-CG 4.46Å; L112-M132 HydrophobicContact CD2-SD 4.1Å; F128-M132 HydrophobicContact CE1-SD 4.28Å; F128-M132 WeakPolarHBondContact O-CB 3.24Å; F128-M132 PolarHBondContact O-N 2.89Å; F129-M132 PolarHBondContact O-N 3.39Å; L130-M132 VanDerWaalsContact C-N 3.32Å; L130-M132 PolarHBondContact O-N 3.5Å; M132-G134 VanDerWaalsContact C-N 3.33Å; M132-G134 PolarHBondContact O-N 2.96Å; M132-D135 WeakPolarHBondContact O-CB 3.34Å; M132-D135 PolarHBondContact O-N 3.09Å; M132-D135 VanDerWaalsContact O-N 3.08Å; M132-Y136 HydrophobicContact CE-CE2 3.64Å; M132-Y136 HydrophobicContact CG-CD2 3.85Å; M132-Y136 HydrophobicContact CG-CE2 3.64Å; M132-Y136 VanDerWaalsContact O-CD2 3.24Å; M132-Y136 WeakPolarHBondContact O-CD2 3.48Å; M132-Y136 PolarHBondContact O-N 3.47Å |
| 133 | Q | 98.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 20.9 Ų | 20.9 | 10% | 0.098 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56 | -45.9 | 175.3 | -173.7 | 176.9 | 57.1 | 0 | 0 | 112 | L109 L112 F129 L130 K131 D135 Y136 Y137 A159 | L109-Q133 HydrophobicContact CD2-CG 3.84Å; L112-Q133 HydrophobicContact CD1-CB 4Å; F129-Q133 WeakPolarHBondContact O-CB 3.42Å; F129-Q133 PolarHBondContact O-N 3.26Å; L130-Q133 WeakPolarHBondContact O-CB 3.41Å; L130-Q133 PolarHBondContact O-N 2.96Å; K131-Q133 VanDerWaalsContact C-N 3.33Å; K131-Q133 PolarHBondContact O-N 3.17Å; Q133-D135 PolarHBondContact O-N 3.46Å; Q133-Y136 PolarHBondContact O-N 2.88Å; Q133-Y137 HydrophobicContact CG-CD2 3.81Å; Q133-Y137 HydrophobicContact CG-CE2 3.52Å; Q133-Y137 VanDerWaalsContact O-CD2 3.25Å; Q133-Y137 WeakPolarHBondContact O-CD2 3.27Å; Q133-Y137 PolarHBondContact O-N 3.44Å; Q133-A159 HydrophobicContact CB-CB 4.14Å; Q133-A159 HydrophobicContact CG-CB 4.01Å |
| 134 | G | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L130 K131 M132 Y136 Y137 R138 S156 Y160 | L130-G134 PolarHBondContact O-N 2.93Å; K131-G134 PolarHBondContact O-N 3.15Å; M132-G134 VanDerWaalsContact C-N 3.33Å; M132-G134 PolarHBondContact O-N 2.96Å; G134-Y136 PolarHBondContact O-N 3.34Å; G134-Y137 PolarHBondContact O-N 2.98Å; G134-R138 WeakPolarHBondContact O-CB 3.36Å; G134-R138 PolarHBondContact O-N 3.35Å; G134-S156 PolarHBondContact O-OG 3.1Å; G134-Y160 VanDerWaalsContact C-CZ 3.46Å |
| 135 | D | 98.8 | Very high | 97.4 | Very high | 8 Ų | 8 | 21.3 Ų | 21.3 | 4% | 0.043 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.5 | -45.4 | 177.2 | -68.4 | -37.2 | 0 | 0 | 0 | 112.4 | K131 M132 Q133 R138 Y139 Y160 N183 | K131-D135 IonicContact NZ-OD2 2.84Å; K131-D135 PolarHBondContact NZ-OD2 3.07Å; K131-D135 VanDerWaalsContact O-CG 3.32Å; K131-D135 PolarHBondContact O-N 3.41Å; M132-D135 WeakPolarHBondContact O-CB 3.34Å; M132-D135 PolarHBondContact O-N 3.09Å; M132-D135 VanDerWaalsContact O-N 3.08Å; Q133-D135 PolarHBondContact O-N 3.46Å; D135-R138 WeakPolarHBondContact O-CB 3.35Å; D135-R138 PolarHBondContact O-N 3.2Å; D135-R138 IonicContact OD1-NH2 3.94Å; D135-Y139 HydrophobicContact CB-CE2 4.18Å; D135-Y139 WeakPolarHBondContact O-CD1 3.44Å; D135-Y139 VanDerWaalsContact O-CD2 3.23Å; D135-Y139 WeakPolarHBondContact O-CD2 3.43Å; D135-Y139 PolarHBondContact O-N 3.11Å; D135-Y160 WeakPolarHBondContact CA-OH 3.49Å; D135-Y160 PolarHBondContact N-OH 3.23Å; D135-Y160 PolarHBondContact OD1-OH 2.96Å; D135-N183 VanDerWaalsContact OD1-CB 3.29Å; D135-N183 WeakPolarHBondContact OD1-CB 3.42Å; D135-N183 PolarHBondContact OD1-ND2 3.11Å; D135-N183 PolarHBondContact OD2-ND2 3.48Å |
| 136 | Y | 98.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 2% | 0.024 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.6 | -35.2 | -178.9 | -78.8 | -86.8 | 0 | 0 | 0 | 113.1 | Y59 K60 V63 C105 V108 M132 Q133 G134 Y139 L140 | Y59-Y136 WeakPolarHBondContact CB-OH 3.48Å; Y59-Y136 PolarHBondContact O-OH 3.02Å; K60-Y136 PolarHBondContact N-OH 2.96Å; V63-Y136 HydrophobicContact CB-CE1 4.14Å; V63-Y136 HydrophobicContact CG1-CE1 4.13Å; V63-Y136 HydrophobicContact CG2-CE1 4.14Å; C105-Y136 HydrophobicContact CB-CD1 4.04Å; V108-Y136 HydrophobicContact CB-CD1 3.94Å; V108-Y136 HydrophobicContact CB-CD2 4.31Å; V108-Y136 HydrophobicContact CB-CE1 3.93Å; V108-Y136 HydrophobicContact CB-CE2 4.38Å; V108-Y136 HydrophobicContact CB-CG 4.14Å; V108-Y136 HydrophobicContact CG1-CD1 4.1Å; V108-Y136 HydrophobicContact CG1-CD2 3.57Å; V108-Y136 HydrophobicContact CG1-CE1 4.05Å; V108-Y136 HydrophobicContact CG1-CE2 3.59Å; V108-Y136 HydrophobicContact CG1-CG 3.87Å; V108-Y136 HydrophobicContact CG2-CD1 4.21Å; V108-Y136 HydrophobicContact CG2-CE1 3.71Å; M132-Y136 HydrophobicContact CE-CE2 3.64Å; M132-Y136 HydrophobicContact CG-CD2 3.85Å; M132-Y136 HydrophobicContact CG-CE2 3.64Å; M132-Y136 VanDerWaalsContact O-CD2 3.24Å; M132-Y136 WeakPolarHBondContact O-CD2 3.48Å; M132-Y136 PolarHBondContact O-N 3.47Å; Q133-Y136 PolarHBondContact O-N 2.88Å; G134-Y136 PolarHBondContact O-N 3.34Å; Y136-Y139 HydrophobicContact CD1-CD2 4.02Å; Y136-Y139 HydrophobicContact CD1-CE2 4.47Å; Y136-Y139 HydrophobicContact CE1-CD2 4.28Å; Y136-Y139 HydrophobicContact CE1-CE2 4.44Å; Y136-Y139 HydrophobicContact CG-CD2 4.3Å; Y136-Y139 PolarHBondContact O-N 3.49Å; Y136-L140 WeakPolarHBondContact O-CG 3.39Å; Y136-L140 PolarHBondContact O-N 3.07Å; Y136-L140 VanDerWaalsContact O-N 3.08Å |
| 137 | Y | 98.8 | Very high | 97.1 | Very high | 28 Ų | 28 | 29.3 Ų | 29.3 | 11% | 0.11 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.5 | -38.5 | 169.6 | -77.2 | -55.1 | 0 | 0 | 0 | 112.2 | L109 Q133 G134 Y139 L140 A141 K155 | L109-Y137 HydrophobicContact CD1-CD1 3.8Å; L109-Y137 HydrophobicContact CD1-CE1 3.47Å; L109-Y137 VanDerWaalsContact CD1-CE1 3.47Å; L109-Y137 HydrophobicContact CD1-CG 4.44Å; L109-Y137 HydrophobicContact CD2-CD1 4.35Å; L109-Y137 HydrophobicContact CD2-CD2 3.93Å; L109-Y137 HydrophobicContact CD2-CE1 4.11Å; L109-Y137 HydrophobicContact CD2-CE2 3.69Å; L109-Y137 HydrophobicContact CD2-CG 4.24Å; L109-Y137 HydrophobicContact CG-CE1 4.41Å; Q133-Y137 HydrophobicContact CG-CD2 3.81Å; Q133-Y137 HydrophobicContact CG-CE2 3.52Å; Q133-Y137 VanDerWaalsContact O-CD2 3.25Å; Q133-Y137 WeakPolarHBondContact O-CD2 3.27Å; Q133-Y137 PolarHBondContact O-N 3.44Å; G134-Y137 PolarHBondContact O-N 2.98Å; Y137-Y139 VanDerWaalsContact C-N 3.33Å; Y137-Y139 PolarHBondContact O-N 3.3Å; Y137-L140 HydrophobicContact CD1-CD1 4.07Å; Y137-L140 WeakPolarHBondContact O-CB 3.38Å; Y137-L140 PolarHBondContact O-N 3.44Å; Y137-A141 WeakPolarHBondContact O-CB 3.35Å; Y137-A141 PolarHBondContact O-N 3.32Å; Y137-K155 HydrophobicContact CD1-CB 3.79Å; Y137-K155 HydrophobicContact CD1-CD 4.19Å; Y137-K155 HydrophobicContact CD2-CB 3.78Å; Y137-K155 HydrophobicContact CE1-CB 3.86Å; Y137-K155 HydrophobicContact CE1-CD 3.58Å; Y137-K155 HydrophobicContact CE1-CG 4.32Å; Y137-K155 HydrophobicContact CE2-CB 3.83Å; Y137-K155 HydrophobicContact CG-CB 3.78Å |
| 138 | R | 98.5 | Very high | 96.9 | Very high | 12 Ų | 12 | 32 Ų | 32 | 5% | 0.045 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 171.7 | 168.1 | 164.1 | 74.5 | 94.6 | 1.3 | 112.4 | G134 D135 L140 A141 E142 S156 Y160 V186 F187 E190 I191 | G134-R138 WeakPolarHBondContact O-CB 3.36Å; G134-R138 PolarHBondContact O-N 3.35Å; D135-R138 WeakPolarHBondContact O-CB 3.35Å; D135-R138 PolarHBondContact O-N 3.2Å; D135-R138 IonicContact OD1-NH2 3.94Å; R138-L140 VanDerWaalsContact C-N 3.3Å; R138-L140 PolarHBondContact O-N 2.93Å; R138-A141 WeakPolarHBondContact O-CB 3.39Å; R138-A141 PolarHBondContact O-N 2.88Å; R138-E142 PolarHBondContact O-N 3.49Å; R138-S156 PolarHBondContact N-OG 3.35Å; R138-Y160 PolarHBondContact NE-OH 3.17Å; R138-V186 VanDerWaalsContact NH1-CG1 3.32Å; R138-F187 HydrophobicContact CB-CD2 4.35Å; R138-E190 IonicContact NH1-OE2 3.5Å; R138-E190 PolarHBondContact NH1-OE2 3.48Å; R138-I191 HydrophobicContact CG-CD1 4.01Å; R138-I191 HydrophobicContact CG-CG1 3.69Å |
| 139 | Y | 98.5 | Very high | 97 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.6 | -33.8 | 176.7 | -56 | -28.5 | 0 | 0 | 0 | 112.6 | V63 D135 Y136 Y137 | V63-Y139 HydrophobicContact CG1-CD2 3.99Å; V63-Y139 HydrophobicContact CG1-CE2 3.79Å; V63-Y139 HydrophobicContact CG2-CD2 3.82Å; V63-Y139 HydrophobicContact CG2-CE2 4.47Å; V63-Y139 HydrophobicContact CG2-CG 4.43Å; D135-Y139 HydrophobicContact CB-CE2 4.18Å; D135-Y139 WeakPolarHBondContact O-CD1 3.44Å; D135-Y139 VanDerWaalsContact O-CD2 3.23Å; D135-Y139 WeakPolarHBondContact O-CD2 3.43Å; D135-Y139 PolarHBondContact O-N 3.11Å; Y136-Y139 HydrophobicContact CD1-CD2 4.02Å; Y136-Y139 HydrophobicContact CD1-CE2 4.47Å; Y136-Y139 HydrophobicContact CE1-CD2 4.28Å; Y136-Y139 HydrophobicContact CE1-CE2 4.44Å; Y136-Y139 HydrophobicContact CG-CD2 4.3Å; Y136-Y139 PolarHBondContact O-N 3.49Å; Y137-Y139 VanDerWaalsContact C-N 3.33Å; Y137-Y139 PolarHBondContact O-N 3.3Å |
| 140 | L | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.5 | -43.3 | 170.5 | -68.8 | 173.2 | 0 | 0 | 0 | 111.2 | N102 C105 L109 Y136 Y137 R138 E142 V143 A144 V152 | N102-L140 HydrophobicContact CB-CD2 4.23Å; N102-L140 VanDerWaalsContact OD1-CD2 3.25Å; N102-L140 WeakPolarHBondContact OD1-CD2 3.44Å; C105-L140 HydrophobicContact CB-CD1 4.16Å; C105-L140 HydrophobicContact CB-CD2 3.59Å; C105-L140 HydrophobicContact CB-CG 3.72Å; L109-L140 HydrophobicContact CD1-CD1 3.62Å; Y136-L140 WeakPolarHBondContact O-CG 3.39Å; Y136-L140 PolarHBondContact O-N 3.07Å; Y136-L140 VanDerWaalsContact O-N 3.08Å; Y137-L140 HydrophobicContact CD1-CD1 4.07Å; Y137-L140 WeakPolarHBondContact O-CB 3.38Å; Y137-L140 PolarHBondContact O-N 3.44Å; R138-L140 VanDerWaalsContact C-N 3.3Å; R138-L140 PolarHBondContact O-N 2.93Å; L140-E142 VanDerWaalsContact C-N 3.27Å; L140-E142 PolarHBondContact O-N 2.73Å; L140-V143 WeakPolarHBondContact O-CG2 3.37Å; L140-V143 PolarHBondContact O-N 3.01Å; L140-A144 VanDerWaalsContact O-CB 3.29Å; L140-A144 WeakPolarHBondContact O-CB 3.34Å; L140-A144 PolarHBondContact O-N 2.92Å; L140-V152 HydrophobicContact CB-CB 4.28Å; L140-V152 HydrophobicContact CB-CG1 4.19Å; L140-V152 HydrophobicContact CB-CG2 4.44Å |
| 141 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.1 | -32.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y137 R138 V143 V152 V153 I191 | Y137-A141 WeakPolarHBondContact O-CB 3.35Å; Y137-A141 PolarHBondContact O-N 3.32Å; R138-A141 WeakPolarHBondContact O-CB 3.39Å; R138-A141 PolarHBondContact O-N 2.88Å; A141-V143 PolarHBondContact O-N 3.03Å; A141-V152 VanDerWaalsContact CA-CG2 3.43Å; A141-V152 HydrophobicContact CB-CG2 3.72Å; A141-V153 HydrophobicContact CB-CG2 3.68Å; A141-I191 HydrophobicContact CB-CD1 4.38Å; A141-I191 HydrophobicContact CB-CG2 3.97Å |
| 142 | E | 97.2 | Very high | 96.9 | Very high | 41 Ų | 41 | 43.1 Ų | 43.1 | 19% | 0.192 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.5 | -32.6 | 177.1 | 179.4 | 175.4 | -151.8 | 0 | 0 | 112.9 | R67 W70 R71 R138 L140 I191 | R67-E142 IonicContact CZ-OE2 2.84Å; R67-E142 IonicContact NE-OE2 2.81Å; R67-E142 PolarHBondContact NE-OE2 3.36Å; R67-E142 IonicContact NH2-OE1 3.86Å; R67-E142 PolarHBondContact NH2-OE1 2.85Å; R67-E142 IonicContact NH2-OE2 2.67Å; R67-E142 PolarHBondContact NH2-OE2 3.42Å; W70-E142 HydrophobicContact CH2-CG 4.38Å; W70-E142 WeakPolarHBondContact CH2-O 3.29Å; W70-E142 HydrophobicContact CZ3-CG 3.91Å; R71-E142 IonicContact CZ-OE1 2.61Å; R71-E142 IonicContact NE-OE1 2.64Å; R71-E142 PolarHBondContact NE-OE1 3.06Å; R71-E142 IonicContact NH2-OE1 2.79Å; R71-E142 PolarHBondContact NH2-OE1 3.39Å; R71-E142 IonicContact NH2-OE2 3.07Å; R138-E142 PolarHBondContact O-N 3.49Å; L140-E142 VanDerWaalsContact C-N 3.27Å; L140-E142 PolarHBondContact O-N 2.73Å; E142-I191 HydrophobicContact CB-CD1 4.46Å |
| 143 | V | 96.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.055 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -110.1 | -9.6 | -175.2 | -55.4 | 0 | 0 | 0 | 0 | 114 | W70 E98 L101 L140 A141 | W70-V143 HydrophobicContact CD2-CG1 3.63Å; W70-V143 HydrophobicContact CE3-CG1 3.96Å; W70-V143 HydrophobicContact CG-CG1 4.09Å; W70-V143 HydrophobicContact CH2-CG1 4.16Å; W70-V143 HydrophobicContact CZ2-CB 4.18Å; W70-V143 HydrophobicContact CZ2-CG1 3.83Å; W70-V143 HydrophobicContact CZ3-CG1 4.22Å; E98-V143 HydrophobicContact CG-CB 4.09Å; L101-V143 HydrophobicContact CD2-CB 4.34Å; L101-V143 HydrophobicContact CD2-CG1 3.49Å; L101-V143 VanDerWaalsContact CD2-CG1 3.49Å; L101-V143 HydrophobicContact CD2-CG2 3.89Å; L140-V143 WeakPolarHBondContact O-CG2 3.37Å; L140-V143 PolarHBondContact O-N 3.01Å; A141-V143 PolarHBondContact O-N 3.03Å |
| 144 | A | 96.3 | Very high | 96.8 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 18% | 0.182 | 25% | 0.25 | C | S | . | . | trans | -78 | 150.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L140 R149 V152 | L140-A144 VanDerWaalsContact O-CB 3.29Å; L140-A144 WeakPolarHBondContact O-CB 3.34Å; L140-A144 PolarHBondContact O-N 2.92Å; A144-R149 HydrophobicContact CB-CB 3.97Å; A144-R149 HydrophobicContact CB-CG 4.31Å; A144-V152 HydrophobicContact CB-CG2 4.04Å | ||
| 145 | T | 92.6 | Very high | 96.8 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 52% | 0.521 | 27% | 0.266 | S | S | . | . | trans | -118.7 | 160.9 | 174.1 | 66.9 | 0 | 0 | 0 | 0 | 110.9 | A148 R149 | T145-A148 PolarHBondContact O-N 3.44Å; T145-R149 PolarHBondContact O-N 3.3Å; T145-R149 VanDerWaalsContact O-N 3.14Å | ||
| 146 | D | 92 | Very high | 96.8 | Very high | 129 Ų | 129 | 50 Ų | 50 | 69% | 0.69 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | 52.3 | -134.4 | 168.7 | -46.5 | -57.6 | 0 | 0 | 0 | 113.9 | A148 R149 T150 | D146-A148 VanDerWaalsContact C-N 3.3Å; D146-A148 PolarHBondContact O-N 2.92Å; D146-R149 WeakPolarHBondContact O-CB 3.44Å; D146-R149 PolarHBondContact O-N 3.09Å; D146-R149 VanDerWaalsContact O-N 3.12Å; D146-T150 PolarHBondContact O-N 3.22Å |
| 147 | D | 91.8 | Very high | 96.8 | Very high | 142 Ų | 142 | 51.6 Ų | 51.6 | 76% | 0.759 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60.7 | -38.4 | -177.6 | -67.2 | -20.6 | 0 | 0 | 0 | 112.6 | R149 T150 E151 | D147-R149 PolarHBondContact O-N 2.87Å; D147-T150 PolarHBondContact O-N 3.47Å; D147-E151 PolarHBondContact O-N 3.34Å; D147-E151 VanDerWaalsContact O-N 3.14Å |
| 148 | A | 93.2 | Very high | 96.8 | Very high | 56 Ų | 56 | 53.4 Ų | 53.4 | 46% | 0.463 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.5 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T145 D146 V152 | T145-A148 PolarHBondContact O-N 3.44Å; D146-A148 VanDerWaalsContact C-N 3.3Å; D146-A148 PolarHBondContact O-N 2.92Å; A148-V152 WeakPolarHBondContact O-CG2 3.42Å; A148-V152 PolarHBondContact O-N 3.36Å |
| 149 | R | 96.9 | Very high | 96.8 | Very high | 82 Ų | 82 | 52.9 Ų | 52.9 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 176.1 | -165.6 | -174.6 | 178.2 | -72.1 | 0.9 | 111.4 | A144 T145 D146 D147 E151 V152 V153 I191 | A144-R149 HydrophobicContact CB-CB 3.97Å; A144-R149 HydrophobicContact CB-CG 4.31Å; T145-R149 PolarHBondContact O-N 3.3Å; T145-R149 VanDerWaalsContact O-N 3.14Å; D146-R149 WeakPolarHBondContact O-CB 3.44Å; D146-R149 PolarHBondContact O-N 3.09Å; D146-R149 VanDerWaalsContact O-N 3.12Å; D147-R149 PolarHBondContact O-N 2.87Å; R149-E151 VanDerWaalsContact C-N 3.29Å; R149-E151 PolarHBondContact O-N 2.88Å; R149-V152 VanDerWaalsContact O-CG2 3.3Å; R149-V152 WeakPolarHBondContact O-CG2 3.3Å; R149-V152 PolarHBondContact O-N 3.08Å; R149-V153 HydrophobicContact CG-CG2 4.25Å; R149-V153 WeakPolarHBondContact O-CB 3.25Å; R149-V153 WeakPolarHBondContact O-CG2 3.43Å; R149-V153 PolarHBondContact O-N 2.8Å; R149-I191 PolarHBondContact NH2-O 3.44Å |
| 150 | T | 96.8 | Very high | 96.9 | Very high | 98 Ų | 98 | 51.7 Ų | 51.7 | 60% | 0.601 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -57.4 | -44.1 | -179.5 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | D146 D147 Q154 | D146-T150 PolarHBondContact O-N 3.22Å; D147-T150 PolarHBondContact O-N 3.47Å; T150-Q154 PolarHBondContact O-N 3.48Å; T150-Q154 VanDerWaalsContact O-N 3.15Å |
| 151 | E | 97.2 | Very high | 96.9 | Very high | 109 Ų | 109 | 54.7 Ų | 54.7 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.8 | -49.4 | 179 | -170.6 | -171 | 153.1 | 0 | 0 | 112.6 | D147 R149 V153 Q154 K155 | D147-E151 PolarHBondContact O-N 3.34Å; D147-E151 VanDerWaalsContact O-N 3.14Å; R149-E151 VanDerWaalsContact C-N 3.29Å; R149-E151 PolarHBondContact O-N 2.88Å; E151-V153 VanDerWaalsContact C-N 3.32Å; E151-V153 PolarHBondContact O-N 2.94Å; E151-Q154 PolarHBondContact O-N 2.79Å; E151-K155 HydrophobicContact CG-CD 4.4Å; E151-K155 WeakPolarHBondContact O-CG 3.32Å; E151-K155 PolarHBondContact O-N 2.83Å; E151-K155 VanDerWaalsContact OE1-CE 3.27Å; E151-K155 WeakPolarHBondContact OE1-CE 3.09Å; E151-K155 IonicContact OE1-NZ 3.76Å; E151-K155 PolarHBondContact OE1-NZ 3.25Å |
| 152 | V | 97.8 | Very high | 96.9 | Very high | 21 Ų | 21 | 60.4 Ų | 60.4 | 13% | 0.127 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.3 | -30.7 | -177.7 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | L140 A141 A144 A148 R149 K155 S156 | L140-V152 HydrophobicContact CB-CB 4.28Å; L140-V152 HydrophobicContact CB-CG1 4.19Å; L140-V152 HydrophobicContact CB-CG2 4.44Å; A141-V152 VanDerWaalsContact CA-CG2 3.43Å; A141-V152 HydrophobicContact CB-CG2 3.72Å; A144-V152 HydrophobicContact CB-CG2 4.04Å; A148-V152 WeakPolarHBondContact O-CG2 3.42Å; A148-V152 PolarHBondContact O-N 3.36Å; R149-V152 VanDerWaalsContact O-CG2 3.3Å; R149-V152 WeakPolarHBondContact O-CG2 3.3Å; R149-V152 PolarHBondContact O-N 3.08Å; V152-K155 PolarHBondContact O-N 2.58Å; V152-S156 WeakPolarHBondContact O-CB 3.4Å; V152-S156 PolarHBondContact O-N 3.32Å |
| 153 | V | 98.5 | Very high | 96.9 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 6% | 0.055 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -45.5 | 172.8 | 169.9 | 0 | 0 | 0 | 0 | 111 | A141 R149 E151 K155 S156 L157 F187 I191 | A141-V153 HydrophobicContact CB-CG2 3.68Å; R149-V153 HydrophobicContact CG-CG2 4.25Å; R149-V153 WeakPolarHBondContact O-CB 3.25Å; R149-V153 WeakPolarHBondContact O-CG2 3.43Å; R149-V153 PolarHBondContact O-N 2.8Å; E151-V153 VanDerWaalsContact C-N 3.32Å; E151-V153 PolarHBondContact O-N 2.94Å; V153-K155 VanDerWaalsContact C-N 3.34Å; V153-K155 PolarHBondContact O-N 3.36Å; V153-S156 WeakPolarHBondContact O-CB 3.28Å; V153-S156 PolarHBondContact O-N 3.2Å; V153-L157 PolarHBondContact O-N 2.85Å; V153-F187 HydrophobicContact CG1-CE2 4.3Å; V153-F187 HydrophobicContact CG1-CZ 4.04Å; V153-I191 HydrophobicContact CG1-CG2 4.32Å; V153-I191 HydrophobicContact CG2-CG2 3.55Å |
| 154 | Q | 98.3 | Very high | 97 | Very high | 96 Ų | 96 | 60.9 Ų | 60.9 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 177.3 | -172.2 | 59.9 | 50.5 | 0 | 0 | 111.3 | T150 E151 S156 L157 D158 | T150-Q154 PolarHBondContact O-N 3.48Å; T150-Q154 VanDerWaalsContact O-N 3.15Å; E151-Q154 PolarHBondContact O-N 2.79Å; Q154-S156 VanDerWaalsContact C-N 3.32Å; Q154-S156 PolarHBondContact O-N 3.45Å; Q154-L157 PolarHBondContact O-N 3.22Å; Q154-D158 PolarHBondContact NE2-OD1 3.1Å; Q154-D158 WeakPolarHBondContact O-CB 3.25Å; Q154-D158 VanDerWaalsContact O-CG 3.29Å; Q154-D158 PolarHBondContact O-N 3.24Å |
| 155 | K | 98.6 | Very high | 97.1 | Very high | 76 Ų | 76 | 63.7 Ų | 63.7 | 33% | 0.33 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 175.5 | -72.4 | 176.3 | 171 | 174.5 | 0 | 112.5 | Y137 E151 V152 V153 A159 | Y137-K155 HydrophobicContact CD1-CB 3.79Å; Y137-K155 HydrophobicContact CD1-CD 4.19Å; Y137-K155 HydrophobicContact CD2-CB 3.78Å; Y137-K155 HydrophobicContact CE1-CB 3.86Å; Y137-K155 HydrophobicContact CE1-CD 3.58Å; Y137-K155 HydrophobicContact CE1-CG 4.32Å; Y137-K155 HydrophobicContact CE2-CB 3.83Å; Y137-K155 HydrophobicContact CG-CB 3.78Å; E151-K155 HydrophobicContact CG-CD 4.4Å; E151-K155 WeakPolarHBondContact O-CG 3.32Å; E151-K155 PolarHBondContact O-N 2.83Å; E151-K155 VanDerWaalsContact OE1-CE 3.27Å; E151-K155 WeakPolarHBondContact OE1-CE 3.09Å; E151-K155 IonicContact OE1-NZ 3.76Å; E151-K155 PolarHBondContact OE1-NZ 3.25Å; V152-K155 PolarHBondContact O-N 2.58Å; V153-K155 VanDerWaalsContact C-N 3.34Å; V153-K155 PolarHBondContact O-N 3.36Å; K155-A159 WeakPolarHBondContact O-CB 3.45Å; K155-A159 PolarHBondContact O-N 3.41Å |
| 156 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.3 | -48 | 174.3 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | G134 R138 V152 V153 Q154 A159 Y160 F187 | G134-S156 PolarHBondContact O-OG 3.1Å; R138-S156 PolarHBondContact N-OG 3.35Å; V152-S156 WeakPolarHBondContact O-CB 3.4Å; V152-S156 PolarHBondContact O-N 3.32Å; V153-S156 WeakPolarHBondContact O-CB 3.28Å; V153-S156 PolarHBondContact O-N 3.2Å; Q154-S156 VanDerWaalsContact C-N 3.32Å; Q154-S156 PolarHBondContact O-N 3.45Å; S156-A159 PolarHBondContact O-N 3.48Å; S156-Y160 WeakPolarHBondContact O-CD2 3.28Å; S156-Y160 PolarHBondContact O-N 3.02Å; S156-Y160 WeakPolarHBondContact OG-CE2 3.39Å; S156-F187 WeakPolarHBondContact OG-CD2 3.35Å; S156-F187 WeakPolarHBondContact OG-CE2 3.1Å |
| 157 | L | 98.7 | Very high | 97.5 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 20% | 0.204 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 178.5 | 177.9 | 59.9 | 0 | 0 | 0 | 111.1 | V153 Q154 A159 Y160 T161 F184 F187 F188 | V153-L157 PolarHBondContact O-N 2.85Å; Q154-L157 PolarHBondContact O-N 3.22Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.2Å; L157-Y160 PolarHBondContact O-N 3.36Å; L157-T161 WeakPolarHBondContact O-CB 3.41Å; L157-T161 PolarHBondContact O-N 3.11Å; L157-T161 PolarHBondContact O-OG1 2.89Å; L157-T161 VanDerWaalsContact O-OG1 3.07Å; L157-F184 HydrophobicContact CD1-CE2 3.85Å; L157-F184 HydrophobicContact CD1-CZ 3.78Å; L157-F187 HydrophobicContact CB-CE1 4.2Å; L157-F187 HydrophobicContact CB-CZ 3.98Å; L157-F187 HydrophobicContact CD1-CE1 4.05Å; L157-F188 HydrophobicContact CD1-CZ 4.15Å |
| 158 | D | 98.7 | Very high | 97.7 | Very high | 66 Ų | 66 | 53.6 Ų | 53.6 | 35% | 0.353 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 178.8 | -74.6 | -0.4 | 0 | 0 | 0 | 112 | Q154 K162 | Q154-D158 PolarHBondContact NE2-OD1 3.1Å; Q154-D158 WeakPolarHBondContact O-CB 3.25Å; Q154-D158 VanDerWaalsContact O-CG 3.29Å; Q154-D158 PolarHBondContact O-N 3.24Å; D158-K162 WeakPolarHBondContact O-CB 3.42Å; D158-K162 VanDerWaalsContact O-CG 3.23Å; D158-K162 WeakPolarHBondContact O-CG 3.39Å; D158-K162 PolarHBondContact O-N 3.17Å |
| 159 | A | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q133 K155 S156 L157 K162 A163 | Q133-A159 HydrophobicContact CB-CB 4.14Å; Q133-A159 HydrophobicContact CG-CB 4.01Å; K155-A159 WeakPolarHBondContact O-CB 3.45Å; K155-A159 PolarHBondContact O-N 3.41Å; S156-A159 PolarHBondContact O-N 3.48Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 3.2Å; A159-K162 PolarHBondContact O-N 2.87Å; A159-A163 WeakPolarHBondContact O-CB 3.37Å; A159-A163 PolarHBondContact O-N 3.42Å |
| 160 | Y | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 176.7 | -74.3 | -53.7 | 0 | 0 | 0 | 113.2 | G134 D135 R138 S156 L157 A163 T164 L180 N183 F184 F187 | G134-Y160 VanDerWaalsContact C-CZ 3.46Å; D135-Y160 WeakPolarHBondContact CA-OH 3.49Å; D135-Y160 PolarHBondContact N-OH 3.23Å; D135-Y160 PolarHBondContact OD1-OH 2.96Å; R138-Y160 PolarHBondContact NE-OH 3.17Å; S156-Y160 WeakPolarHBondContact O-CD2 3.28Å; S156-Y160 PolarHBondContact O-N 3.02Å; S156-Y160 WeakPolarHBondContact OG-CE2 3.39Å; L157-Y160 PolarHBondContact O-N 3.36Å; Y160-A163 PolarHBondContact O-N 3.39Å; Y160-T164 WeakPolarHBondContact O-CB 3.28Å; Y160-T164 PolarHBondContact O-N 2.91Å; Y160-T164 PolarHBondContact O-OG1 3.41Å; Y160-L180 HydrophobicContact CD1-CD1 3.73Å; Y160-L180 HydrophobicContact CE1-CD1 4.42Å; Y160-N183 HydrophobicContact CE1-CB 4.21Å; Y160-F184 VanDerWaalsContact CB-CD2 3.44Å; Y160-F184 VanDerWaalsContact CB-CE2 3.44Å; Y160-F184 HydrophobicContact CD1-CB 4.09Å; Y160-F184 HydrophobicContact CD1-CD2 4.36Å; Y160-F184 HydrophobicContact CD1-CG 4.24Å; Y160-F184 AromaticContact CD2-CD2 3.56Å; Y160-F184 HydrophobicContact CD2-CD2 3.56Å; Y160-F184 AromaticContact CD2-CE2 3.93Å; Y160-F184 HydrophobicContact CD2-CE2 3.93Å; Y160-F184 HydrophobicContact CD2-CG 4.25Å; Y160-F184 HydrophobicContact CE2-CD2 4.36Å; Y160-F184 HydrophobicContact CG-CB 4.15Å; Y160-F184 HydrophobicContact CG-CD1 4.43Å; Y160-F184 AromaticContact CG-CD2 3.56Å; Y160-F184 HydrophobicContact CG-CD2 3.56Å; Y160-F184 AromaticContact CG-CE2 3.99Å; Y160-F184 HydrophobicContact CG-CE2 3.99Å; Y160-F184 AromaticContact CG-CG 3.82Å; Y160-F184 HydrophobicContact CG-CG 3.82Å; Y160-F187 HydrophobicContact CD2-CB 4.14Å; Y160-F187 HydrophobicContact CD2-CD1 4.4Å; Y160-F187 HydrophobicContact CD2-CD2 4.4Å; Y160-F187 HydrophobicContact CD2-CG 4.06Å; Y160-F187 HydrophobicContact CE2-CB 3.63Å; Y160-F187 HydrophobicContact CE2-CD2 4.06Å; Y160-F187 AromaticContact CE2-CG 3.87Å; Y160-F187 HydrophobicContact CE2-CG 3.87Å |
| 161 | T | 98.7 | Very high | 97.6 | Very high | 67 Ų | 67 | 51.8 Ų | 51.8 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 174.8 | -65.4 | 0 | 0 | 0 | 0 | 110.9 | L157 A163 T164 T165 | L157-T161 WeakPolarHBondContact O-CB 3.41Å; L157-T161 PolarHBondContact O-N 3.11Å; L157-T161 PolarHBondContact O-OG1 2.89Å; L157-T161 VanDerWaalsContact O-OG1 3.07Å; T161-A163 VanDerWaalsContact C-N 3.31Å; T161-A163 PolarHBondContact O-N 3.01Å; T161-T164 WeakPolarHBondContact O-CB 3.38Å; T161-T164 PolarHBondContact O-N 3.15Å; T161-T164 VanDerWaalsContact O-N 3.14Å; T161-T165 PolarHBondContact O-N 2.86Å; T161-T165 PolarHBondContact O-OG1 3.01Å |
| 162 | K | 98.2 | Very high | 97.6 | Very high | 120 Ų | 120 | 47.5 Ų | 47.5 | 52% | 0.522 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 174.4 | -72.3 | 167.8 | -174.9 | 169.2 | 0 | 112 | L130 D158 A159 T164 A166 | L130-K162 HydrophobicContact CD1-CB 4.04Å; L130-K162 HydrophobicContact CD2-CB 4.15Å; D158-K162 WeakPolarHBondContact O-CB 3.42Å; D158-K162 VanDerWaalsContact O-CG 3.23Å; D158-K162 WeakPolarHBondContact O-CG 3.39Å; D158-K162 PolarHBondContact O-N 3.17Å; A159-K162 PolarHBondContact O-N 2.87Å; K162-T164 VanDerWaalsContact C-N 3.33Å; K162-A166 WeakPolarHBondContact O-CB 3.11Å; K162-A166 PolarHBondContact O-N 3.44Å |
| 163 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L130 A159 Y160 T161 A166 A167 L180 | L130-A163 HydrophobicContact CB-CB 3.64Å; A159-A163 WeakPolarHBondContact O-CB 3.37Å; A159-A163 PolarHBondContact O-N 3.42Å; Y160-A163 PolarHBondContact O-N 3.39Å; T161-A163 VanDerWaalsContact C-N 3.31Å; T161-A163 PolarHBondContact O-N 3.01Å; A163-A166 PolarHBondContact O-N 3.45Å; A163-A167 VanDerWaalsContact O-CB 3.29Å; A163-A167 WeakPolarHBondContact O-CB 3.28Å; A163-A167 PolarHBondContact O-N 2.82Å; A163-L180 VanDerWaalsContact C-CD2 3.43Å; A163-L180 HydrophobicContact CB-CD1 3.65Å; A163-L180 HydrophobicContact CB-CD2 3.68Å; A163-L180 HydrophobicContact CB-CG 4.33Å; A163-L180 WeakPolarHBondContact O-CD2 3.19Å |
| 164 | T | 98.4 | Very high | 97.3 | Very high | 61 Ų | 61 | 48.9 Ų | 48.9 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 179.9 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | Y160 T161 K162 A167 E168 | Y160-T164 WeakPolarHBondContact O-CB 3.28Å; Y160-T164 PolarHBondContact O-N 2.91Å; Y160-T164 PolarHBondContact O-OG1 3.41Å; T161-T164 WeakPolarHBondContact O-CB 3.38Å; T161-T164 PolarHBondContact O-N 3.15Å; T161-T164 VanDerWaalsContact O-N 3.14Å; K162-T164 VanDerWaalsContact C-N 3.33Å; T164-A167 PolarHBondContact O-N 3.4Å; T164-E168 PolarHBondContact O-N 3.48Å |
| 165 | T | 97.7 | Very high | 97.2 | Very high | 80 Ų | 80 | 45.3 Ų | 45.3 | 49% | 0.491 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 175.1 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | T161 A167 E168 | T161-T165 PolarHBondContact O-N 2.86Å; T161-T165 PolarHBondContact O-OG1 3.01Å; T165-A167 PolarHBondContact O-N 2.95Å; T165-E168 WeakPolarHBondContact O-CB 3.4Å; T165-E168 WeakPolarHBondContact O-CG 3.27Å; T165-E168 PolarHBondContact O-N 2.99Å |
| 166 | A | 96.5 | Very high | 97 | Very high | 13 Ų | 13 | 42.8 Ų | 42.8 | 11% | 0.107 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -29 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | K126 V127 L130 K162 A163 E168 | K126-A166 HydrophobicContact CD-CB 4.37Å; K126-A166 HydrophobicContact CG-CB 4.5Å; V127-A166 VanDerWaalsContact CG2-C 3.49Å; V127-A166 HydrophobicContact CG2-CB 3.72Å; L130-A166 HydrophobicContact CD1-CB 4.41Å; K162-A166 WeakPolarHBondContact O-CB 3.11Å; K162-A166 PolarHBondContact O-N 3.44Å; A163-A166 PolarHBondContact O-N 3.45Å; A166-E168 PolarHBondContact O-N 2.83Å |
| 167 | A | 97.4 | Very high | 97 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -75.2 | -9.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | V127 A163 T164 T165 N169 L170 R177 L180 | V127-A167 HydrophobicContact CG1-CB 3.87Å; V127-A167 HydrophobicContact CG2-CB 3.96Å; A163-A167 VanDerWaalsContact O-CB 3.29Å; A163-A167 WeakPolarHBondContact O-CB 3.28Å; A163-A167 PolarHBondContact O-N 2.82Å; T164-A167 PolarHBondContact O-N 3.4Å; T165-A167 PolarHBondContact O-N 2.95Å; A167-N169 PolarHBondContact O-N 2.93Å; A167-L170 PolarHBondContact O-N 3.32Å; A167-R177 HydrophobicContact CB-CB 4.4Å; A167-R177 HydrophobicContact CB-CG 4.06Å; A167-R177 WeakPolarHBondContact O-CD 3.43Å; A167-R177 PolarHBondContact O-NH1 3.41Å; A167-L180 HydrophobicContact CB-CD2 3.96Å |
| 168 | E | 96.2 | Very high | 97 | Very high | 129 Ų | 129 | 44.7 Ų | 44.7 | 60% | 0.603 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -59 | -27.9 | 173.1 | -67.6 | 175.2 | -177.7 | 0 | 0 | 112 | T164 T165 A166 L170 | T164-E168 PolarHBondContact O-N 3.48Å; T165-E168 WeakPolarHBondContact O-CB 3.4Å; T165-E168 WeakPolarHBondContact O-CG 3.27Å; T165-E168 PolarHBondContact O-N 2.99Å; A166-E168 PolarHBondContact O-N 2.83Å; E168-L170 VanDerWaalsContact C-N 3.28Å; E168-L170 PolarHBondContact O-N 3.38Å |
| 169 | N | 94.5 | Very high | 96.9 | Very high | 109 Ų | 109 | 42 Ų | 42 | 58% | 0.583 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -79.2 | -5 | 176.2 | -65.4 | -15.9 | 0 | 0 | 0 | 114 | D123 A167 | D123-N169 HydrophobicContact CB-CB 4.41Å; D123-N169 VanDerWaalsContact OD2-CB 3.3Å; D123-N169 WeakPolarHBondContact OD2-CB 3.35Å; D123-N169 PolarHBondContact OD2-ND2 3Å; A167-N169 PolarHBondContact O-N 2.93Å |
| 170 | L | 94.8 | Very high | 96.9 | Very high | 16 Ų | 16 | 42.2 Ų | 42.2 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -103.3 | 143.7 | 178 | -57.9 | 179.7 | 0 | 0 | 0 | 110.3 | D124 V127 A167 E168 H174 I176 R177 | D124-L170 HydrophobicContact CB-CD2 4.08Å; V127-L170 HydrophobicContact CB-CD1 4.15Å; V127-L170 HydrophobicContact CG1-CD1 4.33Å; V127-L170 HydrophobicContact CG2-CD1 3.9Å; A167-L170 PolarHBondContact O-N 3.32Å; E168-L170 VanDerWaalsContact C-N 3.28Å; E168-L170 PolarHBondContact O-N 3.38Å; L170-H174 HydrophobicContact CB-CB 4.05Å; L170-I176 HydrophobicContact CD1-CB 4.49Å; L170-I176 HydrophobicContact CD1-CG2 4.48Å; L170-R177 HydrophobicContact CB-CB 4.34Å; L170-R177 HydrophobicContact CD1-CB 4.45Å; L170-R177 PolarHBondContact O-NH1 3.46Å |
| 171 | P | 94.7 | Very high | 96.9 | Very high | 73 Ų | 73 | 42.8 Ų | 42.8 | 47% | 0.474 | 23% | 0.232 | S | C | . | . | trans | -51.9 | 148 | 171.5 | -25.6 | 33.5 | 0 | 0 | 0 | 112.2 | T173 H174 R177 | P171-T173 PolarHBondContact O-N 2.97Å; P171-T173 VanDerWaalsContact O-N 3.15Å; P171-H174 HydrophobicContact CB-CB 4.44Å; P171-H174 WeakPolarHBondContact O-CB 3.44Å; P171-H174 PolarHBondContact O-N 3.45Å; P171-R177 WeakPolarHBondContact O-CD 3.42Å | ||
| 172 | T | 96.4 | Very high | 96.9 | Very high | 20 Ų | 20 | 40.6 Ų | 40.6 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28.5 | -179.8 | 66.7 | 0 | 0 | 0 | 0 | 112.3 | H174 S208 E212 | T172-H174 VanDerWaalsContact C-N 3.35Å; T172-S208 PolarHBondContact OG1-O 3.49Å; T172-E212 VanDerWaalsContact OG1-CD 3.23Å; T172-E212 PolarHBondContact OG1-OE2 3.21Å |
| 173 | T | 95.8 | Very high | 97 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -2.9 | 177.3 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | P171 A209 E212 L216 S224 | P171-T173 PolarHBondContact O-N 2.97Å; P171-T173 VanDerWaalsContact O-N 3.15Å; T173-A209 HydrophobicContact CG2-CB 4.34Å; T173-A209 WeakPolarHBondContact CG2-O 3.4Å; T173-E212 HydrophobicContact CG2-CB 3.76Å; T173-L216 HydrophobicContact CG2-CD1 4.04Å; T173-L216 HydrophobicContact CG2-CG 4.18Å; T173-S224 WeakPolarHBondContact O-CB 3.48Å; T173-S224 PolarHBondContact O-OG 2.78Å |
| 174 | H | 95 | Very high | 97 | Very high | 47 Ų | 47 | 36.8 Ų | 36.8 | 22% | 0.218 | 20% | 0.202 | C | C | . | . | trans | -67.3 | 129 | -176.5 | -169.6 | -76.3 | 0 | 0 | 0 | 111.3 | L170 P171 T172 I176 R177 L178 | L170-H174 HydrophobicContact CB-CB 4.05Å; P171-H174 HydrophobicContact CB-CB 4.44Å; P171-H174 WeakPolarHBondContact O-CB 3.44Å; P171-H174 PolarHBondContact O-N 3.45Å; T172-H174 VanDerWaalsContact C-N 3.35Å; H174-I176 VanDerWaalsContact C-N 3.3Å; H174-I176 PolarHBondContact ND1-N 3.32Å; H174-I176 VanDerWaalsContact ND1-N 3.17Å; H174-I176 PolarHBondContact O-N 3.48Å; H174-I176 VanDerWaalsContact O-N 3.15Å; H174-R177 HydrophobicContact CB-CB 4.25Å; H174-R177 PolarHBondContact O-N 3.26Å; H174-L178 PolarHBondContact O-N 2.87Å | ||
| 175 | P | 95.6 | Very high | 97 | Very high | 20 Ų | 20 | 33.9 Ų | 33.9 | 13% | 0.13 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.2 | -40.4 | -175.6 | -27.3 | 31.8 | 0 | 0 | 0 | 114.3 | G179 D223 S224 I227 | P175-G179 PolarHBondContact O-N 3.4Å; P175-D223 HydrophobicContact CB-CB 4.14Å; P175-D223 HydrophobicContact CG-CB 4.05Å; P175-S224 WeakPolarHBondContact CD-OG 3.28Å; P175-S224 WeakPolarHBondContact CG-OG 3.47Å; P175-I227 HydrophobicContact CB-CD1 4.11Å; P175-I227 VanDerWaalsContact O-CD1 3.28Å; P175-I227 WeakPolarHBondContact O-CD1 3.29Å |
| 176 | I | 96 | Very high | 97 | Very high | 23 Ų | 23 | 31 Ų | 31 | 12% | 0.118 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.1 | -39.8 | 177.8 | -62.6 | 176.3 | 0 | 0 | 0 | 112 | D124 V127 F128 L170 H174 G179 L180 | D124-I176 HydrophobicContact CB-CD1 4.11Å; V127-I176 HydrophobicContact CB-CG2 3.97Å; V127-I176 HydrophobicContact CG1-CG2 3.65Å; F128-I176 HydrophobicContact CB-CD1 4.3Å; F128-I176 HydrophobicContact CB-CG2 4.35Å; F128-I176 HydrophobicContact CD2-CD1 4.08Å; F128-I176 HydrophobicContact CD2-CG1 4.34Å; L170-I176 HydrophobicContact CD1-CB 4.49Å; L170-I176 HydrophobicContact CD1-CG2 4.48Å; H174-I176 VanDerWaalsContact C-N 3.3Å; H174-I176 PolarHBondContact ND1-N 3.32Å; H174-I176 VanDerWaalsContact ND1-N 3.17Å; H174-I176 PolarHBondContact O-N 3.48Å; H174-I176 VanDerWaalsContact O-N 3.15Å; I176-G179 PolarHBondContact O-N 3.01Å; I176-L180 WeakPolarHBondContact O-CB 3.42Å; I176-L180 PolarHBondContact O-N 3.02Å |
| 177 | R | 97.5 | Very high | 97.1 | Very high | 77 Ų | 77 | 30.4 Ų | 30.4 | 29% | 0.291 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -68.7 | -44.1 | 178.7 | 179.4 | 172.5 | 179.2 | 169.5 | 0.5 | 110.9 | A167 L170 P171 H174 L180 A181 | A167-R177 HydrophobicContact CB-CB 4.4Å; A167-R177 HydrophobicContact CB-CG 4.06Å; A167-R177 WeakPolarHBondContact O-CD 3.43Å; A167-R177 PolarHBondContact O-NH1 3.41Å; L170-R177 HydrophobicContact CB-CB 4.34Å; L170-R177 HydrophobicContact CD1-CB 4.45Å; L170-R177 PolarHBondContact O-NH1 3.46Å; P171-R177 WeakPolarHBondContact O-CD 3.42Å; H174-R177 HydrophobicContact CB-CB 4.25Å; H174-R177 PolarHBondContact O-N 3.26Å; R177-L180 WeakPolarHBondContact O-CB 3.25Å; R177-L180 PolarHBondContact O-N 2.89Å; R177-A181 PolarHBondContact O-N 3.27Å; R177-A181 VanDerWaalsContact O-N 3.08Å |
| 178 | L | 98.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 173 | -74.8 | 171.8 | 0 | 0 | 0 | 111.9 | H174 L180 A181 L182 A209 I227 M228 L231 | H174-L178 PolarHBondContact O-N 2.87Å; L178-L180 VanDerWaalsContact C-N 3.29Å; L178-L180 PolarHBondContact O-N 3.41Å; L178-A181 PolarHBondContact O-N 3.43Å; L178-A181 VanDerWaalsContact O-N 3.15Å; L178-L182 PolarHBondContact O-N 3.29Å; L178-A209 HydrophobicContact CD1-CB 4.47Å; L178-A209 HydrophobicContact CD2-CB 3.7Å; L178-I227 HydrophobicContact CB-CB 4.19Å; L178-I227 HydrophobicContact CB-CD1 4.42Å; L178-I227 HydrophobicContact CB-CG2 3.65Å; L178-M228 HydrophobicContact CD1-CG 3.97Å; L178-M228 HydrophobicContact CD1-SD 4.4Å; L178-M228 HydrophobicContact CD2-CG 4.09Å; L178-L231 HydrophobicContact CD2-CD1 4.09Å |
| 179 | G | 98.2 | Very high | 97.3 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 10% | 0.103 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.9 | -33.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K131 P175 I176 N183 | K131-G179 WeakPolarHBondContact CE-O 3.47Å; P175-G179 PolarHBondContact O-N 3.4Å; I176-G179 PolarHBondContact O-N 3.01Å; G179-N183 PolarHBondContact O-N 2.73Å; G179-N183 VanDerWaalsContact O-N 3.1Å |
| 180 | L | 98.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.9 | -49.3 | 170.2 | 168.1 | 63 | 0 | 0 | 0 | 110.8 | V127 K131 Y160 A163 A167 I176 R177 L178 L182 N183 F184 | V127-L180 HydrophobicContact CG1-CD2 4.01Å; K131-L180 HydrophobicContact CB-CD1 4.04Å; K131-L180 HydrophobicContact CD-CB 4.12Å; K131-L180 HydrophobicContact CG-CB 4.28Å; K131-L180 HydrophobicContact CG-CD1 4.03Å; Y160-L180 HydrophobicContact CD1-CD1 3.73Å; Y160-L180 HydrophobicContact CE1-CD1 4.42Å; A163-L180 VanDerWaalsContact C-CD2 3.43Å; A163-L180 HydrophobicContact CB-CD1 3.65Å; A163-L180 HydrophobicContact CB-CD2 3.68Å; A163-L180 HydrophobicContact CB-CG 4.33Å; A163-L180 WeakPolarHBondContact O-CD2 3.19Å; A167-L180 HydrophobicContact CB-CD2 3.96Å; I176-L180 WeakPolarHBondContact O-CB 3.42Å; I176-L180 PolarHBondContact O-N 3.02Å; R177-L180 WeakPolarHBondContact O-CB 3.25Å; R177-L180 PolarHBondContact O-N 2.89Å; L178-L180 VanDerWaalsContact C-N 3.29Å; L178-L180 PolarHBondContact O-N 3.41Å; L180-L182 VanDerWaalsContact C-N 3.31Å; L180-L182 PolarHBondContact O-N 3.28Å; L180-N183 PolarHBondContact O-N 2.99Å; L180-F184 WeakPolarHBondContact O-CB 3.46Å; L180-F184 PolarHBondContact O-N 2.64Å |
| 181 | A | 98.7 | Very high | 97.5 | Very high | 12 Ų | 12 | 27.2 Ų | 27.2 | 10% | 0.099 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R177 L178 N183 S185 L201 A205 | R177-A181 PolarHBondContact O-N 3.27Å; R177-A181 VanDerWaalsContact O-N 3.08Å; L178-A181 PolarHBondContact O-N 3.43Å; L178-A181 VanDerWaalsContact O-N 3.15Å; A181-N183 PolarHBondContact O-N 3.46Å; A181-S185 WeakPolarHBondContact O-CB 3.31Å; A181-S185 PolarHBondContact O-N 2.87Å; A181-S185 PolarHBondContact O-OG 3.35Å; A181-L201 HydrophobicContact CB-CD2 3.85Å; A181-L201 WeakPolarHBondContact O-CD2 3.18Å; A181-A205 HydrophobicContact CB-CB 3.38Å |
| 182 | L | 98.7 | Very high | 97.6 | Very high | 20 Ų | 20 | 27.2 Ų | 27.2 | 11% | 0.105 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.9 | -50 | 174.3 | 176.8 | 63.4 | 0 | 0 | 0 | 111.4 | L178 L180 S185 V186 I227 L230 L231 N234 | L178-L182 PolarHBondContact O-N 3.29Å; L180-L182 VanDerWaalsContact C-N 3.31Å; L180-L182 PolarHBondContact O-N 3.28Å; L182-S185 PolarHBondContact O-OG 3.26Å; L182-V186 VanDerWaalsContact O-CG2 3.31Å; L182-V186 WeakPolarHBondContact O-CG2 3.44Å; L182-V186 PolarHBondContact O-N 2.94Å; L182-I227 HydrophobicContact CB-CG2 4.24Å; L182-I227 HydrophobicContact CD2-CG2 4.18Å; L182-L230 HydrophobicContact CD1-CB 4.06Å; L182-L230 HydrophobicContact CD2-CB 3.88Å; L182-L230 HydrophobicContact CD2-CD1 3.84Å; L182-L231 HydrophobicContact CB-CD2 3.94Å; L182-L231 HydrophobicContact CB-CG 4.25Å; L182-L231 HydrophobicContact CD1-CD2 4.01Å; L182-L231 HydrophobicContact CD1-CG 4.23Å; L182-N234 VanDerWaalsContact CD1-ND2 3.32Å; L182-N234 WeakPolarHBondContact CD1-ND2 3.37Å |
| 183 | N | 98.6 | Very high | 97.5 | Very high | 30 Ų | 30 | 32.8 Ų | 32.8 | 16% | 0.16 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -73.9 | -34.3 | -176 | -77.9 | 13.4 | 0 | 0 | 0 | 113.1 | K131 D135 Y160 G179 L180 A181 V186 F187 | K131-N183 WeakPolarHBondContact CE-ND2 3.32Å; K131-N183 PolarHBondContact NZ-ND2 3.12Å; D135-N183 VanDerWaalsContact OD1-CB 3.29Å; D135-N183 WeakPolarHBondContact OD1-CB 3.42Å; D135-N183 PolarHBondContact OD1-ND2 3.11Å; D135-N183 PolarHBondContact OD2-ND2 3.48Å; Y160-N183 HydrophobicContact CE1-CB 4.21Å; G179-N183 PolarHBondContact O-N 2.73Å; G179-N183 VanDerWaalsContact O-N 3.1Å; L180-N183 PolarHBondContact O-N 2.99Å; A181-N183 PolarHBondContact O-N 3.46Å; N183-V186 PolarHBondContact O-N 3.34Å; N183-F187 PolarHBondContact O-N 3.27Å |
| 184 | F | 98.8 | Very high | 97.6 | Very high | 11 Ų | 11 | 35.3 Ų | 35.3 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.3 | -35.3 | 178.6 | -164.4 | -170.6 | 0 | 0 | 0 | 111.8 | L157 Y160 L180 F187 F188 L201 | L157-F184 HydrophobicContact CD1-CE2 3.85Å; L157-F184 HydrophobicContact CD1-CZ 3.78Å; Y160-F184 VanDerWaalsContact CB-CD2 3.44Å; Y160-F184 VanDerWaalsContact CB-CE2 3.44Å; Y160-F184 HydrophobicContact CD1-CB 4.09Å; Y160-F184 HydrophobicContact CD1-CD2 4.36Å; Y160-F184 HydrophobicContact CD1-CG 4.24Å; Y160-F184 AromaticContact CD2-CD2 3.56Å; Y160-F184 HydrophobicContact CD2-CD2 3.56Å; Y160-F184 AromaticContact CD2-CE2 3.93Å; Y160-F184 HydrophobicContact CD2-CE2 3.93Å; Y160-F184 HydrophobicContact CD2-CG 4.25Å; Y160-F184 HydrophobicContact CE2-CD2 4.36Å; Y160-F184 HydrophobicContact CG-CB 4.15Å; Y160-F184 HydrophobicContact CG-CD1 4.43Å; Y160-F184 AromaticContact CG-CD2 3.56Å; Y160-F184 HydrophobicContact CG-CD2 3.56Å; Y160-F184 AromaticContact CG-CE2 3.99Å; Y160-F184 HydrophobicContact CG-CE2 3.99Å; Y160-F184 AromaticContact CG-CG 3.82Å; Y160-F184 HydrophobicContact CG-CG 3.82Å; L180-F184 WeakPolarHBondContact O-CB 3.46Å; L180-F184 PolarHBondContact O-N 2.64Å; F184-F187 HydrophobicContact CD2-CB 4.22Å; F184-F187 AromaticContact CD2-CD1 3.79Å; F184-F187 HydrophobicContact CD2-CD1 3.79Å; F184-F187 HydrophobicContact CD2-CG 4.33Å; F184-F187 AromaticContact CE2-CD1 3.69Å; F184-F187 HydrophobicContact CE2-CD1 3.69Å; F184-F187 HydrophobicContact CE2-CE1 4.1Å; F184-F187 WeakPolarHBondContact O-CB 3.43Å; F184-F187 PolarHBondContact O-N 3.25Å; F184-F188 HydrophobicContact CD1-CE2 4.33Å; F184-F188 AromaticContact CD2-CD2 3.91Å; F184-F188 HydrophobicContact CD2-CD2 3.91Å; F184-F188 AromaticContact CD2-CE2 3.59Å; F184-F188 HydrophobicContact CD2-CE2 3.59Å; F184-F188 HydrophobicContact CD2-CZ 4.43Å; F184-F188 HydrophobicContact CE1-CE2 4.03Å; F184-F188 AromaticContact CE2-CD2 3.95Å; F184-F188 HydrophobicContact CE2-CD2 3.95Å; F184-F188 AromaticContact CE2-CE2 3.22Å; F184-F188 HydrophobicContact CE2-CE2 3.22Å; F184-F188 AromaticContact CE2-CZ 3.65Å; F184-F188 HydrophobicContact CE2-CZ 3.65Å; F184-F188 HydrophobicContact CG-CD2 4.48Å; F184-F188 HydrophobicContact CG-CE2 4.14Å; F184-F188 AromaticContact CZ-CE2 3.47Å; F184-F188 HydrophobicContact CZ-CE2 3.47Å; F184-F188 VanDerWaalsContact CZ-CE2 3.47Å; F184-F188 AromaticContact CZ-CZ 3.75Å; F184-F188 HydrophobicContact CZ-CZ 3.75Å; F184-F188 VanDerWaalsContact O-CD2 3.3Å; F184-F188 WeakPolarHBondContact O-CD2 3.16Å; F184-F188 PolarHBondContact O-N 3.48Å; F184-F188 VanDerWaalsContact O-N 3.11Å; F184-L201 HydrophobicContact CB-CD1 4.23Å; F184-L201 HydrophobicContact CB-CD2 4.37Å; F184-L201 HydrophobicContact CD1-CD1 3.55Å; F184-L201 HydrophobicContact CE1-CD1 4.09Å; F184-L201 HydrophobicContact CG-CD1 3.91Å |
| 185 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 171.5 | 57.7 | 0 | 0 | 0 | 0 | 111.7 | A181 L182 F187 F188 Y189 A198 | A181-S185 WeakPolarHBondContact O-CB 3.31Å; A181-S185 PolarHBondContact O-N 2.87Å; A181-S185 PolarHBondContact O-OG 3.35Å; L182-S185 PolarHBondContact O-OG 3.26Å; S185-F187 VanDerWaalsContact C-N 3.28Å; S185-F187 PolarHBondContact O-N 3.18Å; S185-F188 PolarHBondContact O-N 3.03Å; S185-Y189 PolarHBondContact O-N 3.15Å; S185-A198 WeakPolarHBondContact CB-O 3.15Å; S185-A198 VanDerWaalsContact O-CB 3.25Å; S185-A198 WeakPolarHBondContact O-CB 3.32Å |
| 186 | V | 98.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 36 Ų | 36 | 12% | 0.121 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.1 | -35.9 | 173 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | R138 L182 N183 Y189 E190 W238 | R138-V186 VanDerWaalsContact NH1-CG1 3.32Å; L182-V186 VanDerWaalsContact O-CG2 3.31Å; L182-V186 WeakPolarHBondContact O-CG2 3.44Å; L182-V186 PolarHBondContact O-N 2.94Å; N183-V186 PolarHBondContact O-N 3.34Å; V186-Y189 PolarHBondContact O-N 2.9Å; V186-E190 VanDerWaalsContact CG1-CD 3.43Å; V186-E190 HydrophobicContact CG1-CG 3.82Å; V186-E190 VanDerWaalsContact CG1-OE2 3.3Å; V186-E190 WeakPolarHBondContact CG1-OE2 3.24Å; V186-E190 WeakPolarHBondContact O-CB 3.31Å; V186-E190 PolarHBondContact O-N 3.33Å; V186-W238 HydrophobicContact CG2-CH2 4Å; V186-W238 HydrophobicContact CG2-CZ2 4Å |
| 187 | F | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 172.4 | 166 | -94.6 | 0 | 0 | 0 | 112.2 | R138 V153 S156 L157 Y160 N183 F184 S185 Y189 I191 Q192 | R138-F187 HydrophobicContact CB-CD2 4.35Å; V153-F187 HydrophobicContact CG1-CE2 4.3Å; V153-F187 HydrophobicContact CG1-CZ 4.04Å; S156-F187 WeakPolarHBondContact OG-CD2 3.35Å; S156-F187 WeakPolarHBondContact OG-CE2 3.1Å; L157-F187 HydrophobicContact CB-CE1 4.2Å; L157-F187 HydrophobicContact CB-CZ 3.98Å; L157-F187 HydrophobicContact CD1-CE1 4.05Å; Y160-F187 HydrophobicContact CD2-CB 4.14Å; Y160-F187 HydrophobicContact CD2-CD1 4.4Å; Y160-F187 HydrophobicContact CD2-CD2 4.4Å; Y160-F187 HydrophobicContact CD2-CG 4.06Å; Y160-F187 HydrophobicContact CE2-CB 3.63Å; Y160-F187 HydrophobicContact CE2-CD2 4.06Å; Y160-F187 AromaticContact CE2-CG 3.87Å; Y160-F187 HydrophobicContact CE2-CG 3.87Å; N183-F187 PolarHBondContact O-N 3.27Å; F184-F187 HydrophobicContact CD2-CB 4.22Å; F184-F187 AromaticContact CD2-CD1 3.79Å; F184-F187 HydrophobicContact CD2-CD1 3.79Å; F184-F187 HydrophobicContact CD2-CG 4.33Å; F184-F187 AromaticContact CE2-CD1 3.69Å; F184-F187 HydrophobicContact CE2-CD1 3.69Å; F184-F187 HydrophobicContact CE2-CE1 4.1Å; F184-F187 WeakPolarHBondContact O-CB 3.43Å; F184-F187 PolarHBondContact O-N 3.25Å; S185-F187 VanDerWaalsContact C-N 3.28Å; S185-F187 PolarHBondContact O-N 3.18Å; F187-Y189 VanDerWaalsContact C-N 3.3Å; F187-Y189 PolarHBondContact O-N 2.86Å; F187-I191 HydrophobicContact CD2-CB 3.85Å; F187-I191 HydrophobicContact CD2-CG1 3.95Å; F187-I191 HydrophobicContact CD2-CG2 4.12Å; F187-I191 HydrophobicContact CE2-CB 3.97Å; F187-I191 HydrophobicContact CE2-CG1 4.44Å; F187-I191 HydrophobicContact CE2-CG2 3.76Å; F187-I191 WeakPolarHBondContact O-CA 3.37Å; F187-I191 VanDerWaalsContact O-CB 3.25Å; F187-I191 WeakPolarHBondContact O-CB 3.46Å; F187-I191 PolarHBondContact O-N 3.24Å; F187-Q192 HydrophobicContact CD1-CG 4.2Å; F187-Q192 HydrophobicContact CE1-CG 3.49Å; F187-Q192 VanDerWaalsContact CE1-CG 3.49Å; F187-Q192 HydrophobicContact CE2-CG 4.49Å; F187-Q192 HydrophobicContact CZ-CG 3.67Å; F187-Q192 PolarHBondContact O-N 2.94Å |
| 188 | F | 98.4 | Very high | 97.7 | Very high | 24 Ų | 24 | 34.6 Ų | 34.6 | 11% | 0.105 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 178.7 | -80 | -69.4 | 0 | 0 | 0 | 111.6 | L157 F184 S185 Q192 N193 D194 K197 A198 L201 | L157-F188 HydrophobicContact CD1-CZ 4.15Å; F184-F188 HydrophobicContact CD1-CE2 4.33Å; F184-F188 AromaticContact CD2-CD2 3.91Å; F184-F188 HydrophobicContact CD2-CD2 3.91Å; F184-F188 AromaticContact CD2-CE2 3.59Å; F184-F188 HydrophobicContact CD2-CE2 3.59Å; F184-F188 HydrophobicContact CD2-CZ 4.43Å; F184-F188 HydrophobicContact CE1-CE2 4.03Å; F184-F188 AromaticContact CE2-CD2 3.95Å; F184-F188 HydrophobicContact CE2-CD2 3.95Å; F184-F188 AromaticContact CE2-CE2 3.22Å; F184-F188 HydrophobicContact CE2-CE2 3.22Å; F184-F188 AromaticContact CE2-CZ 3.65Å; F184-F188 HydrophobicContact CE2-CZ 3.65Å; F184-F188 HydrophobicContact CG-CD2 4.48Å; F184-F188 HydrophobicContact CG-CE2 4.14Å; F184-F188 AromaticContact CZ-CE2 3.47Å; F184-F188 HydrophobicContact CZ-CE2 3.47Å; F184-F188 VanDerWaalsContact CZ-CE2 3.47Å; F184-F188 AromaticContact CZ-CZ 3.75Å; F184-F188 HydrophobicContact CZ-CZ 3.75Å; F184-F188 VanDerWaalsContact O-CD2 3.3Å; F184-F188 WeakPolarHBondContact O-CD2 3.16Å; F184-F188 PolarHBondContact O-N 3.48Å; F184-F188 VanDerWaalsContact O-N 3.11Å; S185-F188 PolarHBondContact O-N 3.03Å; F188-Q192 HydrophobicContact CD1-CB 4.25Å; F188-Q192 HydrophobicContact CD1-CG 4.17Å; F188-Q192 CarbonylContact O-C 3.48Å; F188-Q192 WeakPolarHBondContact O-CB 3.41Å; F188-Q192 PolarHBondContact O-N 3.41Å; F188-N193 PolarHBondContact O-N 3.06Å; F188-N193 VanDerWaalsContact O-N 3.08Å; F188-D194 HydrophobicContact CD1-CB 4.44Å; F188-D194 PolarHBondContact O-N 3.29Å; F188-K197 HydrophobicContact CB-CB 4.46Å; F188-K197 HydrophobicContact CD1-CB 4.07Å; F188-K197 HydrophobicContact CD1-CG 3.76Å; F188-K197 HydrophobicContact CD2-CG 4.01Å; F188-K197 HydrophobicContact CE1-CG 3.78Å; F188-K197 HydrophobicContact CE2-CG 4.02Å; F188-K197 HydrophobicContact CG-CB 4.17Å; F188-K197 HydrophobicContact CG-CG 3.89Å; F188-K197 HydrophobicContact CZ-CG 3.92Å; F188-A198 HydrophobicContact CB-CB 3.91Å; F188-L201 HydrophobicContact CD2-CD1 4.22Å; F188-L201 HydrophobicContact CE2-CD1 3.96Å |
| 189 | Y | 98 | Very high | 97.6 | Very high | 64 Ų | 64 | 35.3 Ų | 35.3 | 25% | 0.251 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.4 | -59.6 | 178.8 | -178.4 | -96.2 | 0 | 0 | 0 | 112.4 | S185 V186 F187 N193 A195 W238 D241 | S185-Y189 PolarHBondContact O-N 3.15Å; V186-Y189 PolarHBondContact O-N 2.9Å; F187-Y189 VanDerWaalsContact C-N 3.3Å; F187-Y189 PolarHBondContact O-N 2.86Å; Y189-N193 WeakPolarHBondContact O-CA 3.42Å; Y189-N193 PolarHBondContact O-N 3.48Å; Y189-A195 HydrophobicContact CD2-CB 4.04Å; Y189-A195 HydrophobicContact CE2-CB 4.35Å; Y189-W238 AromaticContact CD1-CD1 3.96Å; Y189-W238 AromaticContact CD1-CE2 3.82Å; Y189-W238 HydrophobicContact CD1-CZ2 4.19Å; Y189-W238 AromaticContact CD1-NE1 3.32Å; Y189-W238 VanDerWaalsContact CD1-NE1 3.32Å; Y189-W238 HydrophobicContact CD2-CB 4.23Å; Y189-W238 AromaticContact CD2-CD1 3.41Å; Y189-W238 VanDerWaalsContact CD2-CD1 3.41Å; Y189-W238 AromaticContact CD2-CD2 3.9Å; Y189-W238 HydrophobicContact CD2-CD2 3.9Å; Y189-W238 AromaticContact CD2-CE2 3.87Å; Y189-W238 AromaticContact CD2-CG 3.6Å; Y189-W238 HydrophobicContact CD2-CG 3.6Å; Y189-W238 AromaticContact CD2-NE1 3.56Å; Y189-W238 AromaticContact CE1-CD1 3.71Å; Y189-W238 AromaticContact CE1-NE1 3.36Å; Y189-W238 HydrophobicContact CE2-CB 4.11Å; Y189-W238 AromaticContact CE2-CD1 3.12Å; Y189-W238 HydrophobicContact CE2-CD2 4.37Å; Y189-W238 AromaticContact CE2-CG 3.63Å; Y189-W238 HydrophobicContact CE2-CG 3.63Å; Y189-W238 AromaticContact CE2-NE1 3.59Å; Y189-W238 AromaticContact CG-CD1 3.81Å; Y189-W238 HydrophobicContact CG-CD2 4.06Å; Y189-W238 AromaticContact CG-CE2 3.58Å; Y189-W238 HydrophobicContact CG-CG 4.17Å; Y189-W238 HydrophobicContact CG-CZ2 4.02Å; Y189-W238 AromaticContact CG-NE1 3.42Å; Y189-W238 AromaticContact CZ-CD1 3.28Å; Y189-W238 AromaticContact CZ-NE1 3.49Å; Y189-D241 PolarHBondContact OH-OD2 2.75Å |
| 190 | E | 96.2 | Very high | 97.6 | Very high | 89 Ų | 89 | 40.3 Ų | 40.3 | 42% | 0.416 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -76.4 | -30.3 | -171.3 | -64.5 | -174.7 | 151.9 | 0 | 0 | 113.8 | R138 V186 | R138-E190 IonicContact NH1-OE2 3.5Å; R138-E190 PolarHBondContact NH1-OE2 3.48Å; V186-E190 VanDerWaalsContact CG1-CD 3.43Å; V186-E190 HydrophobicContact CG1-CG 3.82Å; V186-E190 VanDerWaalsContact CG1-OE2 3.3Å; V186-E190 WeakPolarHBondContact CG1-OE2 3.24Å; V186-E190 WeakPolarHBondContact O-CB 3.31Å; V186-E190 PolarHBondContact O-N 3.33Å |
| 191 | I | 97.6 | Very high | 97.6 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -41.4 | -169.7 | -53.9 | -59.2 | 0 | 0 | 0 | 112.7 | R138 A141 E142 R149 V153 F187 | R138-I191 HydrophobicContact CG-CD1 4.01Å; R138-I191 HydrophobicContact CG-CG1 3.69Å; A141-I191 HydrophobicContact CB-CD1 4.38Å; A141-I191 HydrophobicContact CB-CG2 3.97Å; E142-I191 HydrophobicContact CB-CD1 4.46Å; R149-I191 PolarHBondContact NH2-O 3.44Å; V153-I191 HydrophobicContact CG1-CG2 4.32Å; V153-I191 HydrophobicContact CG2-CG2 3.55Å; F187-I191 HydrophobicContact CD2-CB 3.85Å; F187-I191 HydrophobicContact CD2-CG1 3.95Å; F187-I191 HydrophobicContact CD2-CG2 4.12Å; F187-I191 HydrophobicContact CE2-CB 3.97Å; F187-I191 HydrophobicContact CE2-CG1 4.44Å; F187-I191 HydrophobicContact CE2-CG2 3.76Å; F187-I191 WeakPolarHBondContact O-CA 3.37Å; F187-I191 VanDerWaalsContact O-CB 3.25Å; F187-I191 WeakPolarHBondContact O-CB 3.46Å; F187-I191 PolarHBondContact O-N 3.24Å |
| 192 | Q | 96.9 | Very high | 97.5 | Very high | 74 Ų | 74 | 41 Ų | 41 | 35% | 0.346 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -8.2 | 178.7 | -62.8 | -73.4 | 24.6 | 0 | 0 | 112.9 | F187 F188 D194 | F187-Q192 HydrophobicContact CD1-CG 4.2Å; F187-Q192 HydrophobicContact CE1-CG 3.49Å; F187-Q192 VanDerWaalsContact CE1-CG 3.49Å; F187-Q192 HydrophobicContact CE2-CG 4.49Å; F187-Q192 HydrophobicContact CZ-CG 3.67Å; F187-Q192 PolarHBondContact O-N 2.94Å; F188-Q192 HydrophobicContact CD1-CB 4.25Å; F188-Q192 HydrophobicContact CD1-CG 4.17Å; F188-Q192 CarbonylContact O-C 3.48Å; F188-Q192 WeakPolarHBondContact O-CB 3.41Å; F188-Q192 PolarHBondContact O-N 3.41Å; Q192-D194 HydrophobicContact CB-CB 4.25Å; Q192-D194 PolarHBondContact O-N 3.25Å |
| 193 | N | 95.8 | Very high | 97.5 | Very high | 137 Ų | 137 | 45.8 Ų | 45.8 | 73% | 0.733 | 23% | 0.234 | S | C | * | . | trans | 52.7 | 37 | -174.1 | -159.1 | 60.5 | 0 | 0 | 0 | 112.4 | F188 Y189 | F188-N193 PolarHBondContact O-N 3.06Å; F188-N193 VanDerWaalsContact O-N 3.08Å; Y189-N193 WeakPolarHBondContact O-CA 3.42Å; Y189-N193 PolarHBondContact O-N 3.48Å | ||
| 194 | D | 96.4 | Very high | 97.5 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 35% | 0.348 | 25% | 0.249 | S | C | . | . | trans | -114.9 | 77.7 | -178 | -171.5 | -14.4 | 0 | 0 | 0 | 109.3 | F188 Q192 A196 K197 A198 | F188-D194 HydrophobicContact CD1-CB 4.44Å; F188-D194 PolarHBondContact O-N 3.29Å; Q192-D194 HydrophobicContact CB-CB 4.25Å; Q192-D194 PolarHBondContact O-N 3.25Å; D194-A196 PolarHBondContact O-N 2.87Å; D194-A196 PolarHBondContact OD1-N 3.47Å; D194-K197 HydrophobicContact CB-CB 4.25Å; D194-K197 PolarHBondContact O-N 3.06Å; D194-K197 WeakPolarHBondContact OD1-CB 3.35Å; D194-K197 PolarHBondContact OD1-N 2.84Å; D194-K197 VanDerWaalsContact OD2-CB 3.24Å; D194-K197 WeakPolarHBondContact OD2-CB 3.44Å; D194-A198 WeakPolarHBondContact O-CB 3.35Å; D194-A198 PolarHBondContact O-N 2.94Å | ||
| 195 | A | 96.2 | Very high | 97.4 | Very high | 17 Ų | 17 | 48 Ų | 48 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -33 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y189 A198 C199 Q242 | Y189-A195 HydrophobicContact CD2-CB 4.04Å; Y189-A195 HydrophobicContact CE2-CB 4.35Å; A195-A198 PolarHBondContact O-N 3.47Å; A195-C199 WeakPolarHBondContact O-CB 3.36Å; A195-C199 PolarHBondContact O-N 3.35Å; A195-C199 PolarHBondContact O-SG 3.48Å; A195-C199 VanDerWaalsContact O-SG 3.32Å; A195-Q242 HydrophobicContact CB-CG 4.27Å; A195-Q242 PolarHBondContact O-NE2 3.04Å |
| 196 | A | 95.5 | Very high | 97.4 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 53% | 0.529 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.5 | -49.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D194 C199 E200 | D194-A196 PolarHBondContact O-N 2.87Å; D194-A196 PolarHBondContact OD1-N 3.47Å; A196-C199 PolarHBondContact O-N 2.94Å; A196-E200 WeakPolarHBondContact O-CB 3.27Å; A196-E200 PolarHBondContact O-N 2.89Å |
| 197 | K | 96.8 | Very high | 97.4 | Very high | 70 Ų | 70 | 52.6 Ų | 52.6 | 30% | 0.304 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.7 | -37 | 178 | -169.2 | 59.3 | 174.3 | 179.7 | 0 | 112.7 | F188 D194 E200 L201 | F188-K197 HydrophobicContact CB-CB 4.46Å; F188-K197 HydrophobicContact CD1-CB 4.07Å; F188-K197 HydrophobicContact CD1-CG 3.76Å; F188-K197 HydrophobicContact CD2-CG 4.01Å; F188-K197 HydrophobicContact CE1-CG 3.78Å; F188-K197 HydrophobicContact CE2-CG 4.02Å; F188-K197 HydrophobicContact CG-CB 4.17Å; F188-K197 HydrophobicContact CG-CG 3.89Å; F188-K197 HydrophobicContact CZ-CG 3.92Å; D194-K197 HydrophobicContact CB-CB 4.25Å; D194-K197 PolarHBondContact O-N 3.06Å; D194-K197 WeakPolarHBondContact OD1-CB 3.35Å; D194-K197 PolarHBondContact OD1-N 2.84Å; D194-K197 VanDerWaalsContact OD2-CB 3.24Å; D194-K197 WeakPolarHBondContact OD2-CB 3.44Å; K197-E200 VanDerWaalsContact CD-OE2 3.31Å; K197-E200 WeakPolarHBondContact CD-OE2 3.42Å; K197-E200 IonicContact NZ-OE1 2.78Å; K197-E200 PolarHBondContact NZ-OE1 3.34Å; K197-E200 IonicContact NZ-OE2 3.05Å; K197-E200 PolarHBondContact NZ-OE2 3.06Å; K197-E200 PolarHBondContact O-N 2.98Å; K197-L201 WeakPolarHBondContact O-CB 3.48Å; K197-L201 PolarHBondContact O-N 3.23Å |
| 198 | A | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -48.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S185 F188 D194 A195 L201 A202 W238 | S185-A198 WeakPolarHBondContact CB-O 3.15Å; S185-A198 VanDerWaalsContact O-CB 3.25Å; S185-A198 WeakPolarHBondContact O-CB 3.32Å; F188-A198 HydrophobicContact CB-CB 3.91Å; D194-A198 WeakPolarHBondContact O-CB 3.35Å; D194-A198 PolarHBondContact O-N 2.94Å; A195-A198 PolarHBondContact O-N 3.47Å; A198-L201 PolarHBondContact O-N 3.25Å; A198-A202 WeakPolarHBondContact O-CB 3.39Å; A198-A202 PolarHBondContact O-N 3.11Å; A198-W238 HydrophobicContact CB-CE3 3.99Å; A198-W238 HydrophobicContact CB-CH2 4.46Å; A198-W238 HydrophobicContact CB-CZ3 3.88Å |
| 199 | C | 97.6 | Very high | 97.2 | Very high | 19 Ų | 19 | 53.7 Ų | 53.7 | 13% | 0.128 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 177.1 | -74.3 | 0 | 0 | 0 | 0 | 112.4 | A195 A196 L201 A202 K203 L235 | A195-C199 WeakPolarHBondContact O-CB 3.36Å; A195-C199 PolarHBondContact O-N 3.35Å; A195-C199 PolarHBondContact O-SG 3.48Å; A195-C199 VanDerWaalsContact O-SG 3.32Å; A196-C199 PolarHBondContact O-N 2.94Å; C199-L201 VanDerWaalsContact C-N 3.32Å; C199-L201 PolarHBondContact O-N 2.97Å; C199-A202 PolarHBondContact O-N 2.84Å; C199-K203 WeakPolarHBondContact O-CB 3.42Å; C199-K203 PolarHBondContact O-N 3.4Å; C199-L235 HydrophobicContact CB-CD2 4.11Å; C199-L235 WeakPolarHBondContact O-CD2 3.45Å |
| 200 | E | 97.2 | Very high | 97.1 | Very high | 115 Ų | 115 | 54.5 Ų | 54.5 | 54% | 0.537 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55.1 | -49.3 | 176 | -174 | -160 | 135.9 | 0 | 0 | 110.9 | A196 K197 S204 | A196-E200 WeakPolarHBondContact O-CB 3.27Å; A196-E200 PolarHBondContact O-N 2.89Å; K197-E200 VanDerWaalsContact CD-OE2 3.31Å; K197-E200 WeakPolarHBondContact CD-OE2 3.42Å; K197-E200 IonicContact NZ-OE1 2.78Å; K197-E200 PolarHBondContact NZ-OE1 3.34Å; K197-E200 IonicContact NZ-OE2 3.05Å; K197-E200 PolarHBondContact NZ-OE2 3.06Å; K197-E200 PolarHBondContact O-N 2.98Å; E200-S204 VanDerWaalsContact O-CB 3.27Å; E200-S204 WeakPolarHBondContact O-CB 3.34Å; E200-S204 PolarHBondContact O-N 2.97Å |
| 201 | L | 98.1 | Very high | 97 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.4 | -47.5 | -177.5 | -168.6 | 152.4 | 0 | 0 | 0 | 111.9 | A181 F184 F188 K197 A198 C199 K203 S204 A205 | A181-L201 HydrophobicContact CB-CD2 3.85Å; A181-L201 WeakPolarHBondContact O-CD2 3.18Å; F184-L201 HydrophobicContact CB-CD1 4.23Å; F184-L201 HydrophobicContact CB-CD2 4.37Å; F184-L201 HydrophobicContact CD1-CD1 3.55Å; F184-L201 HydrophobicContact CE1-CD1 4.09Å; F184-L201 HydrophobicContact CG-CD1 3.91Å; F188-L201 HydrophobicContact CD2-CD1 4.22Å; F188-L201 HydrophobicContact CE2-CD1 3.96Å; K197-L201 WeakPolarHBondContact O-CB 3.48Å; K197-L201 PolarHBondContact O-N 3.23Å; A198-L201 PolarHBondContact O-N 3.25Å; C199-L201 VanDerWaalsContact C-N 3.32Å; C199-L201 PolarHBondContact O-N 2.97Å; L201-K203 PolarHBondContact O-N 3.31Å; L201-S204 PolarHBondContact O-N 2.96Å; L201-A205 PolarHBondContact O-N 3.16Å; L201-A205 VanDerWaalsContact O-N 3.11Å |
| 202 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A198 C199 F206 L231 L235 W238 | A198-A202 WeakPolarHBondContact O-CB 3.39Å; A198-A202 PolarHBondContact O-N 3.11Å; C199-A202 PolarHBondContact O-N 2.84Å; A202-F206 WeakPolarHBondContact O-CB 3.29Å; A202-F206 PolarHBondContact O-N 2.89Å; A202-L231 HydrophobicContact CB-CD2 3.83Å; A202-L235 HydrophobicContact CB-CD1 4.48Å; A202-L235 HydrophobicContact CB-CD2 3.86Å; A202-L235 HydrophobicContact CB-CG 4Å; A202-W238 HydrophobicContact CB-CZ3 4.31Å |
| 203 | K | 97.8 | Very high | 96.5 | Very high | 119 Ų | 119 | 54.2 Ų | 54.2 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 177.9 | -178.5 | 168.8 | -177.7 | 163.3 | 0 | 111.8 | C199 L201 A205 F206 D207 L235 | C199-K203 WeakPolarHBondContact O-CB 3.42Å; C199-K203 PolarHBondContact O-N 3.4Å; L201-K203 PolarHBondContact O-N 3.31Å; K203-A205 VanDerWaalsContact C-N 3.3Å; K203-A205 PolarHBondContact O-N 3.17Å; K203-F206 PolarHBondContact O-N 3.33Å; K203-D207 WeakPolarHBondContact CE-OD2 3.47Å; K203-D207 VanDerWaalsContact CG-OD2 3.32Å; K203-D207 WeakPolarHBondContact CG-OD2 3.23Å; K203-D207 WeakPolarHBondContact O-CB 3.44Å; K203-D207 PolarHBondContact O-N 3.01Å; K203-L235 HydrophobicContact CB-CD1 4.19Å; K203-L235 HydrophobicContact CB-CD2 4.03Å |
| 204 | S | 98.1 | Very high | 96.1 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 48% | 0.483 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.4 | -43.4 | 177.7 | 176.2 | 0 | 0 | 0 | 0 | 112 | E200 L201 S208 | E200-S204 VanDerWaalsContact O-CB 3.27Å; E200-S204 WeakPolarHBondContact O-CB 3.34Å; E200-S204 PolarHBondContact O-N 2.97Å; L201-S204 PolarHBondContact O-N 2.96Å; S204-S208 WeakPolarHBondContact O-CB 3.32Å; S204-S208 PolarHBondContact O-N 2.91Å; S204-S208 PolarHBondContact O-OG 3.15Å |
| 205 | A | 98.2 | Very high | 95.7 | Very high | 18 Ų | 18 | 59.4 Ų | 59.4 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | A181 L201 K203 A209 L231 | A181-A205 HydrophobicContact CB-CB 3.38Å; L201-A205 PolarHBondContact O-N 3.16Å; L201-A205 VanDerWaalsContact O-N 3.11Å; K203-A205 VanDerWaalsContact C-N 3.3Å; K203-A205 PolarHBondContact O-N 3.17Å; A205-A209 WeakPolarHBondContact O-CB 3.25Å; A205-A209 PolarHBondContact O-N 3.08Å; A205-L231 HydrophobicContact CB-CD1 4.31Å |
| 206 | F | 97.9 | Very high | 95.1 | Very high | 41 Ų | 41 | 60.5 Ų | 60.5 | 18% | 0.18 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 177.2 | -175.8 | -87.3 | 0 | 0 | 0 | 111.8 | A202 K203 S208 A209 I210 M228 L231 R232 | A202-F206 WeakPolarHBondContact O-CB 3.29Å; A202-F206 PolarHBondContact O-N 2.89Å; K203-F206 PolarHBondContact O-N 3.33Å; F206-S208 VanDerWaalsContact C-N 3.34Å; F206-S208 PolarHBondContact O-N 3.49Å; F206-A209 PolarHBondContact O-N 3.42Å; F206-I210 HydrophobicContact CE1-CB 4.49Å; F206-I210 WeakPolarHBondContact O-CB 3.2Å; F206-I210 WeakPolarHBondContact O-CG2 3.28Å; F206-I210 PolarHBondContact O-N 2.94Å; F206-M228 HydrophobicContact CD2-CB 4.08Å; F206-M228 HydrophobicContact CD2-CE 4.34Å; F206-M228 WeakPolarHBondContact CD2-O 3.43Å; F206-M228 HydrophobicContact CE2-CB 4.05Å; F206-M228 HydrophobicContact CE2-CE 4.23Å; F206-M228 WeakPolarHBondContact CE2-O 3.46Å; F206-L231 HydrophobicContact CD2-CB 4.48Å; F206-R232 HydrophobicContact CD2-CB 4.4Å; F206-R232 HydrophobicContact CE2-CB 4.02Å |
| 207 | D | 97.8 | Very high | 94.1 | Very high | 77 Ų | 77 | 65 Ų | 65 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.3 | -34.4 | -177.9 | -70.1 | -13 | 0 | 0 | 0 | 112.1 | K203 I210 A211 | K203-D207 WeakPolarHBondContact CE-OD2 3.47Å; K203-D207 VanDerWaalsContact CG-OD2 3.32Å; K203-D207 WeakPolarHBondContact CG-OD2 3.23Å; K203-D207 WeakPolarHBondContact O-CB 3.44Å; K203-D207 PolarHBondContact O-N 3.01Å; D207-I210 VanDerWaalsContact O-CG2 3.29Å; D207-I210 WeakPolarHBondContact O-CG2 3.49Å; D207-A211 PolarHBondContact O-N 3.11Å |
| 208 | S | 96.7 | Very high | 93.2 | Very high | 47 Ų | 47 | 68.5 Ų | 68.5 | 33% | 0.329 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.7 | -45.2 | 174.8 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | T172 S204 F206 A211 | T172-S208 PolarHBondContact OG1-O 3.49Å; S204-S208 WeakPolarHBondContact O-CB 3.32Å; S204-S208 PolarHBondContact O-N 2.91Å; S204-S208 PolarHBondContact O-OG 3.15Å; F206-S208 VanDerWaalsContact C-N 3.34Å; F206-S208 PolarHBondContact O-N 3.49Å; S208-A211 PolarHBondContact O-N 3Å |
| 209 | A | 96.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70.9 | -37.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T173 L178 A205 F206 A211 E212 L213 M228 | T173-A209 HydrophobicContact CG2-CB 4.34Å; T173-A209 WeakPolarHBondContact CG2-O 3.4Å; L178-A209 HydrophobicContact CD1-CB 4.47Å; L178-A209 HydrophobicContact CD2-CB 3.7Å; A205-A209 WeakPolarHBondContact O-CB 3.25Å; A205-A209 PolarHBondContact O-N 3.08Å; F206-A209 PolarHBondContact O-N 3.42Å; A209-A211 VanDerWaalsContact C-N 3.26Å; A209-A211 PolarHBondContact O-N 3.05Å; A209-E212 CarbonylContact O-C 3.47Å; A209-E212 PolarHBondContact O-N 2.61Å; A209-L213 WeakPolarHBondContact O-CA 3.36Å; A209-L213 WeakPolarHBondContact O-CB 3.04Å; A209-L213 PolarHBondContact O-N 3.2Å; A209-M228 HydrophobicContact CB-CE 3.96Å; A209-M228 HydrophobicContact CB-CG 4.39Å; A209-M228 HydrophobicContact CB-SD 3.86Å |
| 210 | I | 95.5 | Very high | 91.7 | Very high | 81 Ų | 81 | 77 Ų | 77 | 42% | 0.415 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.9 | -33 | 178 | -165 | 66.2 | 0 | 0 | 0 | 111.8 | F206 D207 E212 L213 M228 | F206-I210 HydrophobicContact CE1-CB 4.49Å; F206-I210 WeakPolarHBondContact O-CB 3.2Å; F206-I210 WeakPolarHBondContact O-CG2 3.28Å; F206-I210 PolarHBondContact O-N 2.94Å; D207-I210 VanDerWaalsContact O-CG2 3.29Å; D207-I210 WeakPolarHBondContact O-CG2 3.49Å; I210-E212 PolarHBondContact O-N 3.06Å; I210-L213 HydrophobicContact CD1-CD2 3.97Å; I210-M228 HydrophobicContact CB-CE 3.87Å; I210-M228 HydrophobicContact CD1-CE 3.92Å |
| 211 | A | 94.5 | Very high | 91.4 | Very high | 80 Ų | 80 | 76.5 Ų | 76.5 | 66% | 0.661 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.9 | -24.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D207 S208 A209 | D207-A211 PolarHBondContact O-N 3.11Å; S208-A211 PolarHBondContact O-N 3Å; A209-A211 VanDerWaalsContact C-N 3.26Å; A209-A211 PolarHBondContact O-N 3.05Å |
| 212 | E | 93 | Very high | 91.1 | Very high | 72 Ų | 72 | 82.8 Ų | 82.8 | 34% | 0.336 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -112.6 | -1.8 | -177.9 | -68.4 | 177.1 | -169 | 0 | 0 | 112.8 | T172 T173 A209 I210 D214 Q215 | T172-E212 VanDerWaalsContact OG1-CD 3.23Å; T172-E212 PolarHBondContact OG1-OE2 3.21Å; T173-E212 HydrophobicContact CG2-CB 3.76Å; A209-E212 CarbonylContact O-C 3.47Å; A209-E212 PolarHBondContact O-N 2.61Å; I210-E212 PolarHBondContact O-N 3.06Å; E212-D214 VanDerWaalsContact C-N 3.3Å; E212-D214 PolarHBondContact O-N 3.01Å; E212-Q215 WeakPolarHBondContact O-CB 3.49Å; E212-Q215 PolarHBondContact O-N 2.84Å |
| 213 | L | 90.4 | Very high | 90.9 | Very high | 15 Ų | 15 | 87 Ų | 87 | 8% | 0.079 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -60.5 | -37.4 | -171.2 | -170.8 | 71.1 | 0 | 0 | 0 | 112.6 | A209 I210 Q215 L216 Y221 T225 M228 | A209-L213 WeakPolarHBondContact O-CA 3.36Å; A209-L213 WeakPolarHBondContact O-CB 3.04Å; A209-L213 PolarHBondContact O-N 3.2Å; I210-L213 HydrophobicContact CD1-CD2 3.97Å; L213-Q215 PolarHBondContact O-N 3.35Å; L213-Q215 VanDerWaalsContact O-N 3.11Å; L213-L216 HydrophobicContact CD1-CD1 3.57Å; L213-L216 WeakPolarHBondContact O-CB 3.27Å; L213-L216 PolarHBondContact O-N 2.72Å; L213-L216 VanDerWaalsContact O-N 3.15Å; L213-Y221 HydrophobicContact CD1-CE2 4.36Å; L213-Y221 HydrophobicContact CD2-CE2 4.47Å; L213-Y221 HydrophobicContact CG-CE2 4.11Å; L213-T225 HydrophobicContact CD1-CG2 4.08Å; L213-T225 HydrophobicContact CD2-CG2 4.22Å; L213-M228 HydrophobicContact CD1-SD 3.76Å; L213-M228 HydrophobicContact CD2-CE 4.4Å |
| 214 | D | 88.4 | Confident | 90.8 | Very high | 158 Ų | 158 | 81.3 Ų | 81.3 | 85% | 0.845 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -66.4 | -10.9 | 179.5 | -66.7 | -22.8 | 0 | 0 | 0 | 113.4 | E212 | E212-D214 VanDerWaalsContact C-N 3.3Å; E212-D214 PolarHBondContact O-N 3.01Å |
| 215 | Q | 87.4 | Confident | 90.7 | Very high | 154 Ų | 154 | 80 Ų | 80 | 72% | 0.72 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -94.2 | -7.5 | 178.8 | -53.2 | 178.2 | 16.4 | 0 | 0 | 113 | E212 L213 | E212-Q215 WeakPolarHBondContact O-CB 3.49Å; E212-Q215 PolarHBondContact O-N 2.84Å; L213-Q215 PolarHBondContact O-N 3.35Å; L213-Q215 VanDerWaalsContact O-N 3.11Å |
| 216 | L | 83.2 | Confident | 90.6 | Very high | 39 Ų | 39 | 84.1 Ų | 84.1 | 20% | 0.204 | 44% | 0.439 | C | S | . | . | trans | -69.3 | 145.8 | -178.6 | -90.9 | 167.5 | 0 | 0 | 0 | 112.5 | T173 L213 Y221 | T173-L216 HydrophobicContact CG2-CD1 4.04Å; T173-L216 HydrophobicContact CG2-CG 4.18Å; L213-L216 HydrophobicContact CD1-CD1 3.57Å; L213-L216 WeakPolarHBondContact O-CB 3.27Å; L213-L216 PolarHBondContact O-N 2.72Å; L213-L216 VanDerWaalsContact O-N 3.15Å; L216-Y221 HydrophobicContact CB-CD2 4.2Å; L216-Y221 HydrophobicContact CD1-CD2 4.47Å | ||
| 217 | Q | 76 | Confident | 90.6 | Very high | 158 Ų | 158 | 83.4 Ų | 83.4 | 74% | 0.738 | 44% | 0.437 | S | S | * | . | trans | -82.2 | 153.6 | 166.5 | -63.4 | -174.9 | -21.4 | 0 | 0 | 110.9 | D219 S220 Y221 | Q217-D219 VanDerWaalsContact C-N 3.25Å; Q217-D219 PolarHBondContact O-N 3.11Å; Q217-D219 VanDerWaalsContact O-N 3.11Å; Q217-S220 PolarHBondContact O-N 2.88Å; Q217-Y221 PolarHBondContact O-N 3.2Å | ||
| 218 | D | 76.2 | Confident | 90.6 | Very high | 145 Ų | 145 | 80.1 Ų | 80.1 | 78% | 0.775 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -53.1 | -36.4 | -171.9 | -70.7 | -22.7 | 0 | 0 | 0 | 114.1 | S220 Y221 | D218-S220 VanDerWaalsContact C-N 3.34Å; D218-S220 PolarHBondContact O-N 2.93Å; D218-Y221 PolarHBondContact O-N 3.4Å |
| 219 | D | 80 | Confident | 90.7 | Very high | 150 Ų | 150 | 80.9 Ų | 80.9 | 80% | 0.802 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.4 | -32.8 | -171.5 | -69.2 | -16.6 | 0 | 0 | 0 | 114.2 | Q217 | Q217-D219 VanDerWaalsContact C-N 3.25Å; Q217-D219 PolarHBondContact O-N 3.11Å; Q217-D219 VanDerWaalsContact O-N 3.11Å |
| 220 | S | 85.1 | Confident | 90.8 | Very high | 46 Ų | 46 | 84.6 Ų | 84.6 | 32% | 0.322 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -102.1 | -12.5 | 178.2 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | Q217 D218 K222 D223 S224 | Q217-S220 PolarHBondContact O-N 2.88Å; D218-S220 VanDerWaalsContact C-N 3.34Å; D218-S220 PolarHBondContact O-N 2.93Å; S220-K222 VanDerWaalsContact C-N 3.31Å; S220-K222 PolarHBondContact O-N 3.31Å; S220-D223 PolarHBondContact O-N 3.26Å; S220-S224 PolarHBondContact O-N 3.15Å; S220-S224 PolarHBondContact O-OG 3.06Å |
| 221 | Y | 90.5 | Very high | 90.9 | Very high | 105 Ų | 105 | 80.7 Ų | 80.7 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.2 | -43.9 | -172.9 | -173.4 | -90.6 | 0 | 0 | 0 | 112.3 | L213 L216 Q217 D218 T225 | L213-Y221 HydrophobicContact CD1-CE2 4.36Å; L213-Y221 HydrophobicContact CD2-CE2 4.47Å; L213-Y221 HydrophobicContact CG-CE2 4.11Å; L216-Y221 HydrophobicContact CB-CD2 4.2Å; L216-Y221 HydrophobicContact CD1-CD2 4.47Å; Q217-Y221 PolarHBondContact O-N 3.2Å; D218-Y221 PolarHBondContact O-N 3.4Å; Y221-T225 HydrophobicContact CD1-CG2 4.08Å; Y221-T225 HydrophobicContact CE1-CG2 3.75Å; Y221-T225 HydrophobicContact CE2-CG2 4.29Å; Y221-T225 HydrophobicContact CG-CG2 4.49Å; Y221-T225 WeakPolarHBondContact O-CB 3.35Å; Y221-T225 VanDerWaalsContact O-CG2 3.28Å; Y221-T225 WeakPolarHBondContact O-CG2 3.42Å; Y221-T225 PolarHBondContact O-N 3.37Å; Y221-T225 PolarHBondContact O-OG1 2.9Å |
| 222 | K | 92.7 | Very high | 91.1 | Very high | 164 Ų | 164 | 82.7 Ų | 82.7 | 71% | 0.713 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.9 | -44.8 | -179.2 | -174.6 | -176.8 | 175.8 | -173 | 0 | 112.7 | S220 T225 L226 | S220-K222 VanDerWaalsContact C-N 3.31Å; S220-K222 PolarHBondContact O-N 3.31Å; K222-T225 PolarHBondContact O-OG1 3.45Å; K222-T225 VanDerWaalsContact O-OG1 3.11Å; K222-L226 WeakPolarHBondContact O-CB 3.39Å; K222-L226 PolarHBondContact O-N 3.49Å; K222-L226 VanDerWaalsContact O-N 3.12Å |
| 223 | D | 93.3 | Very high | 91.3 | Very high | 88 Ų | 88 | 82.6 Ų | 82.6 | 47% | 0.471 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.3 | -42.7 | -178.1 | -70.8 | -16.9 | 0 | 0 | 0 | 111 | P175 S220 L226 I227 | P175-D223 HydrophobicContact CB-CB 4.14Å; P175-D223 HydrophobicContact CG-CB 4.05Å; S220-D223 PolarHBondContact O-N 3.26Å; D223-L226 PolarHBondContact O-N 3.11Å; D223-I227 VanDerWaalsContact O-CG1 3.28Å; D223-I227 WeakPolarHBondContact O-CG1 3.48Å; D223-I227 PolarHBondContact O-N 3.41Å; D223-I227 VanDerWaalsContact O-N 3.07Å |
| 224 | S | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 177.5 | -62.7 | 0 | 0 | 0 | 0 | 112.1 | T173 P175 S220 L226 I227 M228 | T173-S224 WeakPolarHBondContact O-CB 3.48Å; T173-S224 PolarHBondContact O-OG 2.78Å; P175-S224 WeakPolarHBondContact CD-OG 3.28Å; P175-S224 WeakPolarHBondContact CG-OG 3.47Å; S220-S224 PolarHBondContact O-N 3.15Å; S220-S224 PolarHBondContact O-OG 3.06Å; S224-L226 PolarHBondContact O-N 3.37Å; S224-I227 PolarHBondContact O-N 3.42Å; S224-M228 WeakPolarHBondContact O-CB 3.4Å; S224-M228 VanDerWaalsContact O-CG 3.28Å; S224-M228 WeakPolarHBondContact O-CG 3.41Å; S224-M228 PolarHBondContact O-N 2.88Å |
| 225 | T | 96 | Very high | 91.9 | Very high | 43 Ų | 43 | 77.6 Ų | 77.6 | 26% | 0.264 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65 | -37.1 | 178.9 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | L213 Y221 K222 M228 Q229 | L213-T225 HydrophobicContact CD1-CG2 4.08Å; L213-T225 HydrophobicContact CD2-CG2 4.22Å; Y221-T225 HydrophobicContact CD1-CG2 4.08Å; Y221-T225 HydrophobicContact CE1-CG2 3.75Å; Y221-T225 HydrophobicContact CE2-CG2 4.29Å; Y221-T225 HydrophobicContact CG-CG2 4.49Å; Y221-T225 WeakPolarHBondContact O-CB 3.35Å; Y221-T225 VanDerWaalsContact O-CG2 3.28Å; Y221-T225 WeakPolarHBondContact O-CG2 3.42Å; Y221-T225 PolarHBondContact O-N 3.37Å; Y221-T225 PolarHBondContact O-OG1 2.9Å; K222-T225 PolarHBondContact O-OG1 3.45Å; K222-T225 VanDerWaalsContact O-OG1 3.11Å; T225-M228 PolarHBondContact O-N 2.8Å; T225-Q229 WeakPolarHBondContact O-CB 3.23Å; T225-Q229 PolarHBondContact O-N 2.82Å |
| 226 | L | 96.6 | Very high | 92.3 | Very high | 103 Ų | 103 | 74.7 Ų | 74.7 | 54% | 0.539 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 172.9 | 178.9 | 62.1 | 0 | 0 | 0 | 111.7 | K222 D223 S224 Q229 L230 | K222-L226 WeakPolarHBondContact O-CB 3.39Å; K222-L226 PolarHBondContact O-N 3.49Å; K222-L226 VanDerWaalsContact O-N 3.12Å; D223-L226 PolarHBondContact O-N 3.11Å; S224-L226 PolarHBondContact O-N 3.37Å; L226-Q229 WeakPolarHBondContact O-CB 3.44Å; L226-Q229 PolarHBondContact O-N 3.02Å; L226-L230 WeakPolarHBondContact O-CG 3.4Å; L226-L230 PolarHBondContact O-N 3.21Å; L226-L230 VanDerWaalsContact O-N 3.17Å |
| 227 | I | 97.9 | Very high | 92.8 | Very high | 27 Ų | 27 | 77.4 Ų | 77.4 | 14% | 0.138 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.6 | -40.5 | 178.8 | -61.9 | 164.9 | 0 | 0 | 0 | 111.2 | P175 L178 L182 D223 S224 Q229 L230 L231 | P175-I227 HydrophobicContact CB-CD1 4.11Å; P175-I227 VanDerWaalsContact O-CD1 3.28Å; P175-I227 WeakPolarHBondContact O-CD1 3.29Å; L178-I227 HydrophobicContact CB-CB 4.19Å; L178-I227 HydrophobicContact CB-CD1 4.42Å; L178-I227 HydrophobicContact CB-CG2 3.65Å; L182-I227 HydrophobicContact CB-CG2 4.24Å; L182-I227 HydrophobicContact CD2-CG2 4.18Å; D223-I227 VanDerWaalsContact O-CG1 3.28Å; D223-I227 WeakPolarHBondContact O-CG1 3.48Å; D223-I227 PolarHBondContact O-N 3.41Å; D223-I227 VanDerWaalsContact O-N 3.07Å; S224-I227 PolarHBondContact O-N 3.42Å; I227-Q229 VanDerWaalsContact C-N 3.27Å; I227-Q229 PolarHBondContact O-N 3.39Å; I227-L230 WeakPolarHBondContact O-CB 3.43Å; I227-L230 PolarHBondContact O-N 2.91Å; I227-L230 VanDerWaalsContact O-N 3.15Å; I227-L231 PolarHBondContact O-N 3.34Å |
| 228 | M | 97.8 | Very high | 93.7 | Very high | 8 Ų | 8 | 70.1 Ų | 70.1 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 174.6 | -71.7 | 173.7 | 71.1 | 0 | 0 | 112 | L178 F206 A209 I210 L213 S224 T225 L231 R232 | L178-M228 HydrophobicContact CD1-CG 3.97Å; L178-M228 HydrophobicContact CD1-SD 4.4Å; L178-M228 HydrophobicContact CD2-CG 4.09Å; F206-M228 HydrophobicContact CD2-CB 4.08Å; F206-M228 HydrophobicContact CD2-CE 4.34Å; F206-M228 WeakPolarHBondContact CD2-O 3.43Å; F206-M228 HydrophobicContact CE2-CB 4.05Å; F206-M228 HydrophobicContact CE2-CE 4.23Å; F206-M228 WeakPolarHBondContact CE2-O 3.46Å; A209-M228 HydrophobicContact CB-CE 3.96Å; A209-M228 HydrophobicContact CB-CG 4.39Å; A209-M228 HydrophobicContact CB-SD 3.86Å; I210-M228 HydrophobicContact CB-CE 3.87Å; I210-M228 HydrophobicContact CD1-CE 3.92Å; L213-M228 HydrophobicContact CD1-SD 3.76Å; L213-M228 HydrophobicContact CD2-CE 4.4Å; S224-M228 WeakPolarHBondContact O-CB 3.4Å; S224-M228 VanDerWaalsContact O-CG 3.28Å; S224-M228 WeakPolarHBondContact O-CG 3.41Å; S224-M228 PolarHBondContact O-N 2.88Å; T225-M228 PolarHBondContact O-N 2.8Å; M228-L231 PolarHBondContact O-N 3.39Å; M228-R232 PolarHBondContact O-N 3.07Å |
| 229 | Q | 97.9 | Very high | 94.1 | Very high | 63 Ų | 63 | 65.5 Ų | 65.5 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 173 | 177.6 | 55.1 | 38.9 | 0 | 0 | 111.4 | T225 L226 I227 L231 R232 D233 | T225-Q229 WeakPolarHBondContact O-CB 3.23Å; T225-Q229 PolarHBondContact O-N 2.82Å; L226-Q229 WeakPolarHBondContact O-CB 3.44Å; L226-Q229 PolarHBondContact O-N 3.02Å; I227-Q229 VanDerWaalsContact C-N 3.27Å; I227-Q229 PolarHBondContact O-N 3.39Å; Q229-L231 PolarHBondContact O-N 3.42Å; Q229-R232 WeakPolarHBondContact O-CB 3.45Å; Q229-R232 PolarHBondContact O-N 3.19Å; Q229-D233 PolarHBondContact NE2-OD1 3.47Å; Q229-D233 PolarHBondContact NE2-OD2 3.18Å; Q229-D233 PolarHBondContact O-N 3.36Å |
| 230 | L | 98.3 | Very high | 94.1 | Very high | 77 Ų | 77 | 61.1 Ų | 61.1 | 40% | 0.403 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 176.7 | -65.4 | 171.8 | 0 | 0 | 0 | 112.5 | L182 L226 I227 D233 N234 | L182-L230 HydrophobicContact CD1-CB 4.06Å; L182-L230 HydrophobicContact CD2-CB 3.88Å; L182-L230 HydrophobicContact CD2-CD1 3.84Å; L226-L230 WeakPolarHBondContact O-CG 3.4Å; L226-L230 PolarHBondContact O-N 3.21Å; L226-L230 VanDerWaalsContact O-N 3.17Å; I227-L230 WeakPolarHBondContact O-CB 3.43Å; I227-L230 PolarHBondContact O-N 2.91Å; I227-L230 VanDerWaalsContact O-N 3.15Å; L230-D233 PolarHBondContact O-N 3.46Å; L230-N234 PolarHBondContact O-N 2.86Å |
| 231 | L | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 173.8 | -77.2 | 168.1 | 0 | 0 | 0 | 111.5 | L178 L182 A202 A205 F206 I227 M228 Q229 D233 N234 L235 | L178-L231 HydrophobicContact CD2-CD1 4.09Å; L182-L231 HydrophobicContact CB-CD2 3.94Å; L182-L231 HydrophobicContact CB-CG 4.25Å; L182-L231 HydrophobicContact CD1-CD2 4.01Å; L182-L231 HydrophobicContact CD1-CG 4.23Å; A202-L231 HydrophobicContact CB-CD2 3.83Å; A205-L231 HydrophobicContact CB-CD1 4.31Å; F206-L231 HydrophobicContact CD2-CB 4.48Å; I227-L231 PolarHBondContact O-N 3.34Å; M228-L231 PolarHBondContact O-N 3.39Å; Q229-L231 PolarHBondContact O-N 3.42Å; L231-D233 VanDerWaalsContact C-N 3.34Å; L231-D233 PolarHBondContact O-N 3.1Å; L231-N234 PolarHBondContact O-N 3.14Å; L231-L235 WeakPolarHBondContact O-CG 3.16Å; L231-L235 PolarHBondContact O-N 2.97Å |
| 232 | R | 97.6 | Very high | 92.7 | Very high | 122 Ų | 122 | 60 Ų | 60 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 177.3 | -172.2 | -173.4 | 74.2 | -174.3 | 6.2 | 112.3 | F206 M228 Q229 L235 T236 | F206-R232 HydrophobicContact CD2-CB 4.4Å; F206-R232 HydrophobicContact CE2-CB 4.02Å; M228-R232 PolarHBondContact O-N 3.07Å; Q229-R232 WeakPolarHBondContact O-CB 3.45Å; Q229-R232 PolarHBondContact O-N 3.19Å; R232-L235 PolarHBondContact O-N 2.88Å; R232-T236 PolarHBondContact O-N 3.32Å; R232-T236 PolarHBondContact O-OG1 3.01Å |
| 233 | D | 97.5 | Very high | 91.2 | Very high | 70 Ų | 70 | 56.6 Ų | 56.6 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | -179.7 | -64.7 | -13.5 | 0 | 0 | 0 | 110.8 | Q229 L230 L231 T236 L237 | Q229-D233 PolarHBondContact NE2-OD1 3.47Å; Q229-D233 PolarHBondContact NE2-OD2 3.18Å; Q229-D233 PolarHBondContact O-N 3.36Å; L230-D233 PolarHBondContact O-N 3.46Å; L231-D233 VanDerWaalsContact C-N 3.34Å; L231-D233 PolarHBondContact O-N 3.1Å; D233-T236 WeakPolarHBondContact O-CB 3.35Å; D233-T236 PolarHBondContact O-N 3.02Å; D233-L237 PolarHBondContact O-N 3.47Å |
| 234 | N | 96.4 | Very high | 89.6 | Confident | 33 Ų | 33 | 55.1 Ų | 55.1 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 172.1 | -77.9 | 0.5 | 0 | 0 | 0 | 112.4 | L182 L230 L231 T236 L237 W238 | L182-N234 VanDerWaalsContact CD1-ND2 3.32Å; L182-N234 WeakPolarHBondContact CD1-ND2 3.37Å; L230-N234 PolarHBondContact O-N 2.86Å; L231-N234 PolarHBondContact O-N 3.14Å; N234-T236 PolarHBondContact O-N 2.88Å; N234-L237 PolarHBondContact O-N 3.34Å; N234-W238 HydrophobicContact CB-CD2 4.16Å; N234-W238 HydrophobicContact CB-CE3 4.01Å; N234-W238 HydrophobicContact CB-CH2 3.64Å; N234-W238 HydrophobicContact CB-CZ2 3.78Å; N234-W238 HydrophobicContact CB-CZ3 3.74Å; N234-W238 WeakPolarHBondContact ND2-CH2 3.3Å; N234-W238 WeakPolarHBondContact O-CB 3.45Å; N234-W238 VanDerWaalsContact O-CD2 3.29Å; N234-W238 PolarHBondContact O-N 3.15Å |
| 235 | L | 96.5 | Very high | 87.6 | Confident | 34 Ų | 34 | 61 Ų | 61 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.9 | -38.8 | 176.3 | -74.7 | 169.2 | 0 | 0 | 0 | 112.1 | C199 A202 K203 L231 R232 A239 | C199-L235 HydrophobicContact CB-CD2 4.11Å; C199-L235 WeakPolarHBondContact O-CD2 3.45Å; A202-L235 HydrophobicContact CB-CD1 4.48Å; A202-L235 HydrophobicContact CB-CD2 3.86Å; A202-L235 HydrophobicContact CB-CG 4Å; K203-L235 HydrophobicContact CB-CD1 4.19Å; K203-L235 HydrophobicContact CB-CD2 4.03Å; L231-L235 WeakPolarHBondContact O-CG 3.16Å; L231-L235 PolarHBondContact O-N 2.97Å; R232-L235 PolarHBondContact O-N 2.88Å; L235-A239 WeakPolarHBondContact O-CB 3.45Å; L235-A239 PolarHBondContact O-N 3.32Å |
| 236 | T | 95.1 | Very high | 85.2 | Confident | 94 Ų | 94 | 60.8 Ų | 60.8 | 58% | 0.577 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.5 | -44.9 | 177.7 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | R232 D233 N234 S240 | R232-T236 PolarHBondContact O-N 3.32Å; R232-T236 PolarHBondContact O-OG1 3.01Å; D233-T236 WeakPolarHBondContact O-CB 3.35Å; D233-T236 PolarHBondContact O-N 3.02Å; N234-T236 PolarHBondContact O-N 2.88Å; T236-S240 PolarHBondContact O-OG 2.8Å |
| 237 | L | 93.3 | Very high | 82.6 | Confident | 95 Ų | 95 | 62 Ų | 62 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 179.5 | -178.5 | 65.4 | 0 | 0 | 0 | 112.2 | D233 N234 S240 | D233-L237 PolarHBondContact O-N 3.47Å; N234-L237 PolarHBondContact O-N 3.34Å; L237-S240 PolarHBondContact O-N 3.03Å; L237-S240 PolarHBondContact O-OG 2.78Å |
| 238 | W | 94.3 | Very high | 80.1 | Confident | 6 Ų | 6 | 66 Ų | 66 | 2% | 0.023 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -79.4 | -25.9 | -174.5 | -55.9 | -27.2 | 0 | 0 | 0 | 113.1 | V186 Y189 A198 A202 N234 S240 D241 Q242 | V186-W238 HydrophobicContact CG2-CH2 4Å; V186-W238 HydrophobicContact CG2-CZ2 4Å; Y189-W238 AromaticContact CD1-CD1 3.96Å; Y189-W238 AromaticContact CD1-CE2 3.82Å; Y189-W238 HydrophobicContact CD1-CZ2 4.19Å; Y189-W238 AromaticContact CD1-NE1 3.32Å; Y189-W238 VanDerWaalsContact CD1-NE1 3.32Å; Y189-W238 HydrophobicContact CD2-CB 4.23Å; Y189-W238 AromaticContact CD2-CD1 3.41Å; Y189-W238 VanDerWaalsContact CD2-CD1 3.41Å; Y189-W238 AromaticContact CD2-CD2 3.9Å; Y189-W238 HydrophobicContact CD2-CD2 3.9Å; Y189-W238 AromaticContact CD2-CE2 3.87Å; Y189-W238 AromaticContact CD2-CG 3.6Å; Y189-W238 HydrophobicContact CD2-CG 3.6Å; Y189-W238 AromaticContact CD2-NE1 3.56Å; Y189-W238 AromaticContact CE1-CD1 3.71Å; Y189-W238 AromaticContact CE1-NE1 3.36Å; Y189-W238 HydrophobicContact CE2-CB 4.11Å; Y189-W238 AromaticContact CE2-CD1 3.12Å; Y189-W238 HydrophobicContact CE2-CD2 4.37Å; Y189-W238 AromaticContact CE2-CG 3.63Å; Y189-W238 HydrophobicContact CE2-CG 3.63Å; Y189-W238 AromaticContact CE2-NE1 3.59Å; Y189-W238 AromaticContact CG-CD1 3.81Å; Y189-W238 HydrophobicContact CG-CD2 4.06Å; Y189-W238 AromaticContact CG-CE2 3.58Å; Y189-W238 HydrophobicContact CG-CG 4.17Å; Y189-W238 HydrophobicContact CG-CZ2 4.02Å; Y189-W238 AromaticContact CG-NE1 3.42Å; Y189-W238 AromaticContact CZ-CD1 3.28Å; Y189-W238 AromaticContact CZ-NE1 3.49Å; A198-W238 HydrophobicContact CB-CE3 3.99Å; A198-W238 HydrophobicContact CB-CH2 4.46Å; A198-W238 HydrophobicContact CB-CZ3 3.88Å; A202-W238 HydrophobicContact CB-CZ3 4.31Å; N234-W238 HydrophobicContact CB-CD2 4.16Å; N234-W238 HydrophobicContact CB-CE3 4.01Å; N234-W238 HydrophobicContact CB-CH2 3.64Å; N234-W238 HydrophobicContact CB-CZ2 3.78Å; N234-W238 HydrophobicContact CB-CZ3 3.74Å; N234-W238 WeakPolarHBondContact ND2-CH2 3.3Å; N234-W238 WeakPolarHBondContact O-CB 3.45Å; N234-W238 VanDerWaalsContact O-CD2 3.29Å; N234-W238 PolarHBondContact O-N 3.15Å; W238-S240 VanDerWaalsContact C-N 3.3Å; W238-S240 PolarHBondContact O-N 2.73Å; W238-D241 PolarHBondContact O-N 3.28Å; W238-Q242 PolarHBondContact O-N 2.65Å |
| 239 | A | 84.7 | Confident | 77.3 | Confident | 47 Ų | 47 | 73.7 Ų | 73.7 | 39% | 0.388 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.1 | -34.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L235 D241 T243 | L235-A239 WeakPolarHBondContact O-CB 3.45Å; L235-A239 PolarHBondContact O-N 3.32Å; A239-D241 VanDerWaalsContact C-N 3.33Å; A239-T243 PolarHBondContact O-N 2.81Å; A239-T243 PolarHBondContact O-OG1 3.32Å |
| 240 | S | 81 | Confident | 74.3 | Confident | 59 Ų | 59 | 77.5 Ų | 77.5 | 41% | 0.413 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.2 | -31.3 | 175.1 | 44.4 | 0 | 0 | 0 | 0 | 113.3 | T236 L237 W238 T243 A244 | T236-S240 PolarHBondContact O-OG 2.8Å; L237-S240 PolarHBondContact O-N 3.03Å; L237-S240 PolarHBondContact O-OG 2.78Å; W238-S240 VanDerWaalsContact C-N 3.3Å; W238-S240 PolarHBondContact O-N 2.73Å; S240-T243 WeakPolarHBondContact CA-OG1 3.42Å; S240-T243 PolarHBondContact O-N 3.37Å; S240-T243 PolarHBondContact O-OG1 3.45Å; S240-A244 PolarHBondContact O-N 3.02Å; S240-A244 VanDerWaalsContact O-N 3.1Å |
| 241 | D | 77.4 | Confident | 71.4 | Confident | 48 Ų | 48 | 81.1 Ų | 81.1 | 26% | 0.257 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71.2 | -39.9 | 178 | -65.3 | -19.5 | 0 | 0 | 0 | 111.5 | Y189 W238 A239 T243 A244 E245 | Y189-D241 PolarHBondContact OH-OD2 2.75Å; W238-D241 PolarHBondContact O-N 3.28Å; A239-D241 VanDerWaalsContact C-N 3.33Å; D241-T243 VanDerWaalsContact C-N 3.28Å; D241-T243 PolarHBondContact O-N 3.31Å; D241-A244 PolarHBondContact O-N 2.94Å; D241-A244 VanDerWaalsContact O-N 3.07Å; D241-E245 PolarHBondContact O-N 3.37Å |
| 242 | Q | 68 | Low | 68.4 | Low | 80 Ų | 80 | 90 Ų | 90 | 37% | 0.374 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61 | -36.9 | 175.4 | -69.8 | -179.3 | 7.1 | 0 | 0 | 112.4 | A195 W238 G246 | A195-Q242 HydrophobicContact CB-CG 4.27Å; A195-Q242 PolarHBondContact O-NE2 3.04Å; W238-Q242 PolarHBondContact O-N 2.65Å; Q242-G246 PolarHBondContact O-N 3.27Å |
| 243 | T | 61.5 | Low | 67 | Low | 92 Ų | 92 | 88.4 Ų | 88.4 | 56% | 0.564 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.2 | -35.2 | 173.9 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | A239 S240 D241 D247 | A239-T243 PolarHBondContact O-N 2.81Å; A239-T243 PolarHBondContact O-OG1 3.32Å; S240-T243 WeakPolarHBondContact CA-OG1 3.42Å; S240-T243 PolarHBondContact O-N 3.37Å; S240-T243 PolarHBondContact O-OG1 3.45Å; D241-T243 VanDerWaalsContact C-N 3.28Å; D241-T243 PolarHBondContact O-N 3.31Å; T243-D247 PolarHBondContact O-N 3.44Å |
| 244 | A | 59.5 | Low | 65.4 | Low | 56 Ų | 56 | 89.3 Ų | 89.3 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.4 | -37.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S240 D241 V248 | S240-A244 PolarHBondContact O-N 3.02Å; S240-A244 VanDerWaalsContact O-N 3.1Å; D241-A244 PolarHBondContact O-N 2.94Å; D241-A244 VanDerWaalsContact O-N 3.07Å; A244-V248 WeakPolarHBondContact O-CG2 3.39Å |
| 245 | E | 53.7 | Low | 63.7 | Low | 123 Ų | 123 | 92.4 Ų | 92.4 | 58% | 0.575 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -70.9 | -36.8 | 176.1 | -70.5 | -179 | 168.2 | 0 | 0 | 112.1 | D241 D247 V248 | D241-E245 PolarHBondContact O-N 3.37Å; E245-D247 VanDerWaalsContact C-N 3.26Å; E245-D247 PolarHBondContact O-N 2.99Å; E245-V248 PolarHBondContact O-N 3.23Å |
| 246 | G | 46.5 | Very low | 61.7 | Low | 40 Ų | 40 | 95.9 Ų | 95.9 | 41% | 0.412 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.9 | -23.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q242 | Q242-G246 PolarHBondContact O-N 3.27Å |
| 247 | D | 42.5 | Very low | 59.6 | Low | 129 Ų | 129 | 96 Ų | 96 | 69% | 0.69 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -14.8 | 176.3 | -75.5 | -21 | 0 | 0 | 0 | 113 | T243 E245 | T243-D247 PolarHBondContact O-N 3.44Å; E245-D247 VanDerWaalsContact C-N 3.26Å; E245-D247 PolarHBondContact O-N 2.99Å |
| 248 | V | 44.5 | Very low | 57.4 | Low | 109 Ų | 109 | 96.1 Ų | 96.1 | 66% | 0.661 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -26.8 | 177.8 | -171 | 0 | 0 | 0 | 0 | 112 | A244 E245 N250 | A244-V248 WeakPolarHBondContact O-CG2 3.39Å; E245-V248 PolarHBondContact O-N 3.23Å; V248-N250 VanDerWaalsContact C-N 3.34Å; V248-N250 PolarHBondContact O-N 3.41Å |
| 249 | E | 38.1 | Very low | 54.8 | Low | 171 Ų | 171 | 102.5 Ų | 102.5 | 80% | 0.799 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -4.2 | -179.5 | -77.6 | -166.8 | 159.8 | 0 | 0 | 114.9 | ||
| 250 | N | 36.3 | Very low | 52.5 | Low | 143 Ų | 143 | 106.8 Ų | 106.8 | 77% | 0.765 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 11.1 | 177.8 | -94.7 | -20.7 | 0 | 0 | 0 | 115 | V248 | V248-N250 VanDerWaalsContact C-N 3.34Å; V248-N250 PolarHBondContact O-N 3.41Å |
| 251 | D | 36.1 | Very low | 50.1 | Low | 152 Ų | 152 | 110.8 Ų | 110.8 | 81% | 0.813 | 64% | 0.639 | S | S | * | * | trans | -126 | 65.1 | 173.8 | -121.3 | 2.9 | 0 | 0 | 0 | 110.4 | ||||
| 252 | S | 37.1 | Very low | 47.6 | Very low | 186 Ų | 186 | 116.5 Ų | 116.5 | 100% | 1.301 | 67% | 0.674 | S | S | * | * | trans | -154.5 | 0 | 164.6 | -70.3 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 252 of 252 residues in 265.1 ms
(Link to these results)