| 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 | 34.9 | Very low | 80.5 | Confident | 243 Ų | 243 | 67.6 Ų | 67.6 | 100% | 1.197 | 38% | 0.382 | S | S | * | . | 0 | 133.2 | 0 | -70.4 | 178.4 | -171.6 | 0 | 0 | 107.7 | |||||
| 2 | S | 57.2 | Low | 81.4 | Confident | 124 Ų | 124 | 62.5 Ų | 62.5 | 87% | 0.867 | 36% | 0.355 | S | S | * | . | trans | -75.6 | 125.6 | 172.3 | 54.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 3 | L | 75.2 | Confident | 82 | Confident | 84 Ų | 84 | 59.5 Ų | 59.5 | 44% | 0.44 | 34% | 0.342 | S | S | . | . | trans | -78 | 129.7 | 179.3 | -142.2 | 89 | 0 | 0 | 0 | 111.2 | I5 L8 H26 V30 | L3-I5 HydrophobicContact CD2-CG1 4.35Å; L3-L8 HydrophobicContact CD2-CD2 3.91Å; L3-H26 WeakPolarHBondContact CD1-NE2 3.24Å; L3-V30 HydrophobicContact CD2-CG1 4.04Å; L3-V30 HydrophobicContact CD2-CG2 4.3Å | ||
| 4 | D | 86.2 | Confident | 82.4 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | trans | -90 | 106.6 | 168.2 | 177.3 | 15.5 | 0 | 0 | 0 | 110.3 | I6 S7 L8 | D4-I6 PolarHBondContact OD1-N 3.11Å; D4-S7 WeakPolarHBondContact CB-OG 3.31Å; D4-S7 PolarHBondContact O-OG 3.11Å; D4-S7 VanDerWaalsContact OD2-CB 3.25Å; D4-S7 WeakPolarHBondContact OD2-CB 3.47Å; D4-S7 PolarHBondContact OD2-OG 3.32Å; D4-L8 WeakPolarHBondContact O-CB 3.39Å; D4-L8 PolarHBondContact O-N 2.75Å | ||
| 5 | I | 88.7 | Confident | 82.5 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 11% | 0.108 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -78.1 | -30.6 | -173.7 | -66.6 | -177.3 | 0 | 0 | 0 | 112.6 | L3 L8 L9 A43 I44 | L3-I5 HydrophobicContact CD2-CG1 4.35Å; I5-L8 PolarHBondContact O-N 3.5Å; I5-L9 HydrophobicContact CG2-CD1 3.88Å; I5-L9 HydrophobicContact CG2-CG 4.17Å; I5-L9 WeakPolarHBondContact O-CG 3.4Å; I5-L9 PolarHBondContact O-N 3.23Å; I5-A43 HydrophobicContact CD1-CB 3.25Å; I5-I44 HydrophobicContact CD1-CG1 4.26Å; I5-I44 HydrophobicContact CG2-CG1 3.88Å |
| 6 | I | 88.2 | Confident | 82.8 | Confident | 26 Ų | 26 | 65.3 Ų | 65.3 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.3 | -48.3 | -177.8 | -66 | 175.1 | 0 | 0 | 0 | 109.4 | D4 L8 L9 N10 C47 D52 R54 L55 | D4-I6 PolarHBondContact OD1-N 3.11Å; I6-L8 VanDerWaalsContact C-N 3.3Å; I6-L8 PolarHBondContact O-N 3.31Å; I6-L9 PolarHBondContact O-N 2.95Å; I6-N10 WeakPolarHBondContact O-CB 3.49Å; I6-N10 PolarHBondContact O-N 3.38Å; I6-C47 HydrophobicContact CD1-CB 4.45Å; I6-C47 HydrophobicContact CG1-CB 3.9Å; I6-D52 WeakPolarHBondContact CD1-OD2 3.45Å; I6-R54 HydrophobicContact CG2-CB 3.86Å; I6-L55 HydrophobicContact CG2-CB 4.46Å |
| 7 | S | 89.8 | Confident | 82.8 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 175.3 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | D4 L9 N10 S11 | D4-S7 WeakPolarHBondContact CB-OG 3.31Å; D4-S7 PolarHBondContact O-OG 3.11Å; D4-S7 VanDerWaalsContact OD2-CB 3.25Å; D4-S7 WeakPolarHBondContact OD2-CB 3.47Å; D4-S7 PolarHBondContact OD2-OG 3.32Å; S7-L9 PolarHBondContact O-N 3.38Å; S7-N10 PolarHBondContact O-N 2.95Å; S7-S11 WeakPolarHBondContact O-CB 3.36Å; S7-S11 PolarHBondContact O-N 3.49Å; S7-S11 PolarHBondContact O-OG 3.33Å; S7-S11 VanDerWaalsContact O-OG 3.04Å |
| 8 | L | 92.1 | Very high | 83.1 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 10% | 0.099 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 177.8 | -173.9 | 64.4 | 0 | 0 | 0 | 113.3 | L3 D4 I5 I6 S11 A12 A23 H26 L27 | L3-L8 HydrophobicContact CD2-CD2 3.91Å; D4-L8 WeakPolarHBondContact O-CB 3.39Å; D4-L8 PolarHBondContact O-N 2.75Å; I5-L8 PolarHBondContact O-N 3.5Å; I6-L8 VanDerWaalsContact C-N 3.3Å; I6-L8 PolarHBondContact O-N 3.31Å; L8-S11 PolarHBondContact O-N 3.15Å; L8-A12 VanDerWaalsContact O-CB 3.25Å; L8-A12 WeakPolarHBondContact O-CB 3.49Å; L8-A12 PolarHBondContact O-N 2.9Å; L8-A23 HydrophobicContact CD1-CB 3.93Å; L8-H26 HydrophobicContact CD1-CB 4.19Å; L8-L27 HydrophobicContact CD2-CB 4.28Å; L8-L27 HydrophobicContact CD2-CD1 3.74Å; L8-L27 HydrophobicContact CG-CB 4.47Å; L8-L27 HydrophobicContact CG-CD1 4.17Å |
| 9 | L | 90.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 178.6 | -74.7 | 173.8 | 0 | 0 | 0 | 112.2 | I5 I6 S7 A12 A13 L27 C47 V48 L55 | I5-L9 HydrophobicContact CG2-CD1 3.88Å; I5-L9 HydrophobicContact CG2-CG 4.17Å; I5-L9 WeakPolarHBondContact O-CG 3.4Å; I5-L9 PolarHBondContact O-N 3.23Å; I6-L9 PolarHBondContact O-N 2.95Å; S7-L9 PolarHBondContact O-N 3.38Å; L9-A12 PolarHBondContact O-N 3.06Å; L9-A13 VanDerWaalsContact O-CB 3.3Å; L9-A13 WeakPolarHBondContact O-CB 3.39Å; L9-A13 PolarHBondContact O-N 3.21Å; L9-L27 HydrophobicContact CD2-CD1 4Å; L9-L27 HydrophobicContact CD2-CD2 3.82Å; L9-C47 WeakPolarHBondContact CD1-SG 3.4Å; L9-V48 HydrophobicContact CD1-CG2 4.24Å; L9-L55 HydrophobicContact CB-CD1 3.86Å; L9-L55 HydrophobicContact CD1-CD1 4.09Å |
| 10 | N | 91.6 | Very high | 83.7 | Confident | 43 Ų | 43 | 70.4 Ų | 70.4 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 175.3 | -76 | -19.6 | 0 | 0 | 0 | 111.7 | I6 S7 A13 C14 R54 S56 | I6-N10 WeakPolarHBondContact O-CB 3.49Å; I6-N10 PolarHBondContact O-N 3.38Å; S7-N10 PolarHBondContact O-N 2.95Å; N10-A13 CarbonylContact O-C 3.49Å; N10-A13 PolarHBondContact O-N 3.15Å; N10-C14 WeakPolarHBondContact O-CB 3.41Å; N10-C14 PolarHBondContact O-N 3.28Å; N10-R54 PolarHBondContact ND2-O 3.47Å; N10-S56 PolarHBondContact OD1-N 3.3Å; N10-S56 PolarHBondContact OD1-OG 2.88Å |
| 11 | S | 91.7 | Very high | 83.8 | Confident | 40 Ų | 40 | 70 Ų | 70 | 28% | 0.28 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 176 | -66.8 | 0 | 0 | 0 | 0 | 111.3 | S7 L8 A13 C14 M20 | S7-S11 WeakPolarHBondContact O-CB 3.36Å; S7-S11 PolarHBondContact O-N 3.49Å; S7-S11 PolarHBondContact O-OG 3.33Å; S7-S11 VanDerWaalsContact O-OG 3.04Å; L8-S11 PolarHBondContact O-N 3.15Å; S11-A13 PolarHBondContact O-N 3.33Å; S11-C14 WeakPolarHBondContact O-CB 3.31Å; S11-C14 PolarHBondContact O-N 3.05Å; S11-C14 VanDerWaalsContact O-N 3.11Å; S11-M20 WeakPolarHBondContact O-CA 3.46Å |
| 12 | A | 91 | Very high | 86.4 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 5% | 0.05 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.2 | -19.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L8 L9 M20 A23 L27 L62 | L8-A12 VanDerWaalsContact O-CB 3.25Å; L8-A12 WeakPolarHBondContact O-CB 3.49Å; L8-A12 PolarHBondContact O-N 2.9Å; L9-A12 PolarHBondContact O-N 3.06Å; A12-M20 VanDerWaalsContact O-CG 3.25Å; A12-M20 WeakPolarHBondContact O-CG 3.41Å; A12-A23 HydrophobicContact CB-CB 3.95Å; A12-L27 HydrophobicContact CB-CD2 4.31Å; A12-L62 HydrophobicContact CB-CD2 3.59Å |
| 13 | A | 88.9 | Confident | 88 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 19% | 0.19 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 8.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L9 N10 S11 D58 L62 | L9-A13 VanDerWaalsContact O-CB 3.3Å; L9-A13 WeakPolarHBondContact O-CB 3.39Å; L9-A13 PolarHBondContact O-N 3.21Å; N10-A13 CarbonylContact O-C 3.49Å; N10-A13 PolarHBondContact O-N 3.15Å; S11-A13 PolarHBondContact O-N 3.33Å; A13-D58 HydrophobicContact CB-CB 3.9Å; A13-L62 HydrophobicContact CB-CD2 4.3Å |
| 14 | C | 87.1 | Confident | 88.6 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 31% | 0.311 | 31% | 0.313 | S | S | . | . | trans | -77.1 | 147.3 | 179.3 | -171.9 | 0 | 0 | 0 | 0 | 110.5 | N10 S11 D16 M20 | N10-C14 WeakPolarHBondContact O-CB 3.41Å; N10-C14 PolarHBondContact O-N 3.28Å; S11-C14 WeakPolarHBondContact O-CB 3.31Å; S11-C14 PolarHBondContact O-N 3.05Å; S11-C14 VanDerWaalsContact O-N 3.11Å; C14-D16 PolarHBondContact O-N 2.84Å; C14-M20 WeakPolarHBondContact O-CB 3.45Å | ||
| 15 | D | 85.2 | Confident | 88.7 | Confident | 162 Ų | 162 | 55 Ų | 55 | 87% | 0.866 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -70.6 | -18.3 | 174.7 | -63.8 | -39.6 | 0 | 0 | 0 | 113.1 | P17 | D15-P17 VanDerWaalsContact O-CD 3.24Å; D15-P17 WeakPolarHBondContact O-CD 3.41Å |
| 16 | D | 86.1 | Confident | 88.7 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 34% | 0.337 | 33% | 0.328 | S | S | . | . | trans | -77.2 | 112.7 | 177.2 | -176.2 | -4.7 | 0 | 0 | 0 | 111 | C14 N18 L19 M20 | C14-D16 PolarHBondContact O-N 2.84Å; D16-N18 PolarHBondContact O-N 3.24Å; D16-N18 WeakPolarHBondContact OD1-CB 3.42Å; D16-N18 PolarHBondContact OD1-N 3.07Å; D16-N18 PolarHBondContact OD1-ND2 3.05Å; D16-N18 VanDerWaalsContact OD1-ND2 3.09Å; D16-L19 HydrophobicContact CB-CB 4.47Å; D16-L19 HydrophobicContact CB-CD1 4.31Å; D16-L19 HydrophobicContact CB-CG 4.47Å; D16-L19 PolarHBondContact O-N 3.45Å; D16-L19 VanDerWaalsContact O-N 3.1Å; D16-M20 VanDerWaalsContact O-CB 3.3Å; D16-M20 WeakPolarHBondContact O-CB 3.38Å; D16-M20 PolarHBondContact O-N 3.3Å | ||
| 17 | P | 82.7 | Confident | 88.6 | Confident | 76 Ų | 76 | 56.6 Ų | 56.6 | 49% | 0.494 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.6 | -29.1 | -179 | -20 | 32.6 | 0 | 0 | 0 | 113.6 | D15 L19 M20 V21 | D15-P17 VanDerWaalsContact O-CD 3.24Å; D15-P17 WeakPolarHBondContact O-CD 3.41Å; P17-L19 PolarHBondContact O-N 3.4Å; P17-M20 HydrophobicContact CB-CE 4.49Å; P17-M20 PolarHBondContact O-N 3.31Å; P17-V21 WeakPolarHBondContact O-CB 3.38Å; P17-V21 WeakPolarHBondContact O-CG2 3.49Å; P17-V21 PolarHBondContact O-N 3.42Å |
| 18 | N | 87.9 | Confident | 88.4 | Confident | 132 Ų | 132 | 56.2 Ų | 56.2 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -69.4 | -25.8 | -179 | -59.5 | -56.3 | 0 | 0 | 0 | 112.3 | D16 P22 | D16-N18 PolarHBondContact O-N 3.24Å; D16-N18 WeakPolarHBondContact OD1-CB 3.42Å; D16-N18 PolarHBondContact OD1-N 3.07Å; D16-N18 PolarHBondContact OD1-ND2 3.05Å; D16-N18 VanDerWaalsContact OD1-ND2 3.09Å; N18-P22 VanDerWaalsContact O-CD 3.28Å; N18-P22 WeakPolarHBondContact O-CD 3.41Å; N18-P22 VanDerWaalsContact O-CG 3.31Å; N18-P22 WeakPolarHBondContact O-CG 3.43Å |
| 19 | L | 88.4 | Confident | 88 | Confident | 90 Ų | 90 | 60.8 Ų | 60.8 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -93.7 | -42 | 173.4 | -65.7 | 174.7 | 0 | 0 | 0 | 111.2 | D16 P17 A23 | D16-L19 HydrophobicContact CB-CB 4.47Å; D16-L19 HydrophobicContact CB-CD1 4.31Å; D16-L19 HydrophobicContact CB-CG 4.47Å; D16-L19 PolarHBondContact O-N 3.45Å; D16-L19 VanDerWaalsContact O-N 3.1Å; P17-L19 PolarHBondContact O-N 3.4Å; L19-A23 WeakPolarHBondContact O-CB 3.29Å; L19-A23 PolarHBondContact O-N 2.93Å |
| 20 | M | 90.2 | Very high | 87.6 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 32% | 0.32 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.5 | -46.5 | -174.4 | -176.5 | -146.4 | 46.5 | 0 | 0 | 113.3 | S11 A12 C14 D16 P17 A23 S24 | S11-M20 WeakPolarHBondContact O-CA 3.46Å; A12-M20 VanDerWaalsContact O-CG 3.25Å; A12-M20 WeakPolarHBondContact O-CG 3.41Å; C14-M20 WeakPolarHBondContact O-CB 3.45Å; D16-M20 VanDerWaalsContact O-CB 3.3Å; D16-M20 WeakPolarHBondContact O-CB 3.38Å; D16-M20 PolarHBondContact O-N 3.3Å; P17-M20 HydrophobicContact CB-CE 4.49Å; P17-M20 PolarHBondContact O-N 3.31Å; M20-A23 PolarHBondContact O-N 3.44Å; M20-S24 VanDerWaalsContact O-CB 3.22Å; M20-S24 WeakPolarHBondContact O-CB 3.44Å; M20-S24 PolarHBondContact O-N 3.49Å; M20-S24 PolarHBondContact O-OG 3.41Å |
| 21 | V | 87.2 | Confident | 87.1 | Confident | 64 Ų | 64 | 60 Ų | 60 | 39% | 0.388 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.5 | -50.6 | -175.6 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | P17 A23 S24 Q25 | P17-V21 WeakPolarHBondContact O-CB 3.38Å; P17-V21 WeakPolarHBondContact O-CG2 3.49Å; P17-V21 PolarHBondContact O-N 3.42Å; V21-A23 VanDerWaalsContact C-N 3.33Å; V21-A23 PolarHBondContact O-N 2.98Å; V21-S24 PolarHBondContact O-N 3.21Å; V21-Q25 HydrophobicContact CG1-CG 4.44Å; V21-Q25 WeakPolarHBondContact O-CB 3.28Å; V21-Q25 VanDerWaalsContact O-CG 3.31Å; V21-Q25 WeakPolarHBondContact O-CG 3.21Å; V21-Q25 PolarHBondContact O-N 2.77Å |
| 22 | P | 88.7 | Confident | 86.4 | Confident | 71 Ų | 71 | 64.7 Ų | 64.7 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 177.1 | -22.9 | 35.4 | 0 | 0 | 0 | 112.4 | N18 H26 | N18-P22 VanDerWaalsContact O-CD 3.28Å; N18-P22 WeakPolarHBondContact O-CD 3.41Å; N18-P22 VanDerWaalsContact O-CG 3.31Å; N18-P22 WeakPolarHBondContact O-CG 3.43Å; P22-H26 VanDerWaalsContact O-CB 3.27Å; P22-H26 WeakPolarHBondContact O-CB 3.35Å; P22-H26 PolarHBondContact O-N 3.12Å |
| 23 | A | 89.7 | Confident | 85.4 | Confident | 9 Ų | 9 | 67 Ų | 67 | 7% | 0.074 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | L8 A12 L19 M20 V21 H26 L27 | L8-A23 HydrophobicContact CD1-CB 3.93Å; A12-A23 HydrophobicContact CB-CB 3.95Å; L19-A23 WeakPolarHBondContact O-CB 3.29Å; L19-A23 PolarHBondContact O-N 2.93Å; M20-A23 PolarHBondContact O-N 3.44Å; V21-A23 VanDerWaalsContact C-N 3.33Å; V21-A23 PolarHBondContact O-N 2.98Å; A23-H26 PolarHBondContact O-N 3.01Å; A23-L27 VanDerWaalsContact O-CB 3.3Å; A23-L27 WeakPolarHBondContact O-CB 3.3Å; A23-L27 PolarHBondContact O-N 3.21Å |
| 24 | S | 88.1 | Confident | 84.3 | Confident | 29 Ų | 29 | 68.7 Ų | 68.7 | 20% | 0.203 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 178 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | M20 V21 H26 L27 T28 | M20-S24 VanDerWaalsContact O-CB 3.22Å; M20-S24 WeakPolarHBondContact O-CB 3.44Å; M20-S24 PolarHBondContact O-N 3.49Å; M20-S24 PolarHBondContact O-OG 3.41Å; V21-S24 PolarHBondContact O-N 3.21Å; S24-H26 VanDerWaalsContact C-N 3.33Å; S24-L27 PolarHBondContact O-N 3.11Å; S24-T28 WeakPolarHBondContact O-CB 3.49Å; S24-T28 PolarHBondContact O-N 2.69Å; S24-T28 PolarHBondContact O-OG1 3.38Å |
| 25 | Q | 89.2 | Confident | 83.5 | Confident | 119 Ų | 119 | 74.1 Ų | 74.1 | 56% | 0.556 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | 172.8 | -74.2 | 175.7 | -7.3 | 0 | 0 | 110.8 | V21 T28 L29 | V21-Q25 HydrophobicContact CG1-CG 4.44Å; V21-Q25 WeakPolarHBondContact O-CB 3.28Å; V21-Q25 VanDerWaalsContact O-CG 3.31Å; V21-Q25 WeakPolarHBondContact O-CG 3.21Å; V21-Q25 PolarHBondContact O-N 2.77Å; Q25-T28 PolarHBondContact O-N 3.37Å; Q25-L29 WeakPolarHBondContact O-CB 3.39Å; Q25-L29 VanDerWaalsContact O-CG 3.31Å; Q25-L29 WeakPolarHBondContact O-CG 3.41Å; Q25-L29 PolarHBondContact O-N 3.23Å |
| 26 | H | 87.7 | Confident | 82.9 | Confident | 78 Ų | 78 | 71.6 Ų | 71.6 | 36% | 0.361 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 177 | -167.2 | 64.1 | 0 | 0 | 0 | 112.1 | L3 L8 P22 A23 S24 T28 L29 V30 | L3-H26 WeakPolarHBondContact CD1-NE2 3.24Å; L8-H26 HydrophobicContact CD1-CB 4.19Å; P22-H26 VanDerWaalsContact O-CB 3.27Å; P22-H26 WeakPolarHBondContact O-CB 3.35Å; P22-H26 PolarHBondContact O-N 3.12Å; A23-H26 PolarHBondContact O-N 3.01Å; S24-H26 VanDerWaalsContact C-N 3.33Å; H26-T28 VanDerWaalsContact C-N 3.33Å; H26-T28 PolarHBondContact O-N 2.55Å; H26-L29 PolarHBondContact O-N 3.39Å; H26-V30 VanDerWaalsContact O-CB 3.3Å; H26-V30 WeakPolarHBondContact O-CB 3.5Å; H26-V30 WeakPolarHBondContact O-CG2 3.37Å; H26-V30 PolarHBondContact O-N 3.05Å |
| 27 | L | 86.9 | Confident | 82.6 | Confident | 3 Ų | 3 | 68.8 Ų | 68.8 | 2% | 0.016 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 175.8 | -169.5 | 72.5 | 0 | 0 | 0 | 111.7 | L8 L9 A12 A23 S24 T31 L62 Y66 | L8-L27 HydrophobicContact CD2-CB 4.28Å; L8-L27 HydrophobicContact CD2-CD1 3.74Å; L8-L27 HydrophobicContact CG-CB 4.47Å; L8-L27 HydrophobicContact CG-CD1 4.17Å; L9-L27 HydrophobicContact CD2-CD1 4Å; L9-L27 HydrophobicContact CD2-CD2 3.82Å; A12-L27 HydrophobicContact CB-CD2 4.31Å; A23-L27 VanDerWaalsContact O-CB 3.3Å; A23-L27 WeakPolarHBondContact O-CB 3.3Å; A23-L27 PolarHBondContact O-N 3.21Å; S24-L27 PolarHBondContact O-N 3.11Å; L27-T31 WeakPolarHBondContact O-CB 3.33Å; L27-T31 VanDerWaalsContact O-CG2 3.28Å; L27-T31 WeakPolarHBondContact O-CG2 3.29Å; L27-T31 PolarHBondContact O-N 3.36Å; L27-T31 PolarHBondContact O-OG1 3.17Å; L27-L62 HydrophobicContact CD2-CD2 4.27Å; L27-Y66 HydrophobicContact CD2-CD1 4.32Å; L27-Y66 HydrophobicContact CD2-CD2 3.55Å; L27-Y66 HydrophobicContact CD2-CE1 4.07Å; L27-Y66 HydrophobicContact CD2-CE2 3.27Å; L27-Y66 HydrophobicContact CD2-CG 4.08Å; L27-Y66 HydrophobicContact CG-CD1 4.32Å; L27-Y66 HydrophobicContact CG-CD2 4.39Å; L27-Y66 HydrophobicContact CG-CE1 4.07Å; L27-Y66 HydrophobicContact CG-CE2 4.17Å; L27-Y66 HydrophobicContact CG-CG 4.47Å |
| 28 | T | 85 | Confident | 82.6 | Confident | 43 Ų | 43 | 67.6 Ų | 67.6 | 26% | 0.264 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.6 | -47.6 | 175.8 | -56.3 | 0 | 0 | 0 | 0 | 111 | S24 Q25 H26 V30 T31 Q32 Y66 | S24-T28 WeakPolarHBondContact O-CB 3.49Å; S24-T28 PolarHBondContact O-N 2.69Å; S24-T28 PolarHBondContact O-OG1 3.38Å; Q25-T28 PolarHBondContact O-N 3.37Å; H26-T28 VanDerWaalsContact C-N 3.33Å; H26-T28 PolarHBondContact O-N 2.55Å; T28-V30 VanDerWaalsContact C-N 3.34Å; T28-V30 PolarHBondContact O-N 2.85Å; T28-T31 PolarHBondContact O-N 2.96Å; T28-T31 PolarHBondContact O-OG1 2.77Å; T28-Q32 HydrophobicContact CG2-CG 4.31Å; T28-Q32 VanDerWaalsContact O-CB 3.26Å; T28-Q32 WeakPolarHBondContact O-CB 3.5Å; T28-Q32 VanDerWaalsContact O-CG 3.28Å; T28-Q32 WeakPolarHBondContact O-CG 3.4Å; T28-Q32 PolarHBondContact O-N 3.45Å; T28-Y66 PolarHBondContact OG1-OH 3.16Å |
| 29 | L | 83.8 | Confident | 82.5 | Confident | 115 Ų | 115 | 66.5 Ų | 66.5 | 60% | 0.602 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -57.8 | -46.3 | 176.6 | -79.3 | 164.7 | 0 | 0 | 0 | 111.7 | Q25 H26 Q32 S33 | Q25-L29 WeakPolarHBondContact O-CB 3.39Å; Q25-L29 VanDerWaalsContact O-CG 3.31Å; Q25-L29 WeakPolarHBondContact O-CG 3.41Å; Q25-L29 PolarHBondContact O-N 3.23Å; H26-L29 PolarHBondContact O-N 3.39Å; L29-Q32 PolarHBondContact O-N 2.85Å; L29-S33 WeakPolarHBondContact O-CB 3.32Å; L29-S33 PolarHBondContact O-N 3.41Å; L29-S33 PolarHBondContact O-OG 3.35Å |
| 30 | V | 83.3 | Confident | 82.4 | Confident | 19 Ų | 19 | 63.1 Ų | 63.1 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.1 | -40.7 | -177.9 | 171.1 | 0 | 0 | 0 | 0 | 111 | L3 H26 T28 S33 I40 | L3-V30 HydrophobicContact CD2-CG1 4.04Å; L3-V30 HydrophobicContact CD2-CG2 4.3Å; H26-V30 VanDerWaalsContact O-CB 3.3Å; H26-V30 WeakPolarHBondContact O-CB 3.5Å; H26-V30 WeakPolarHBondContact O-CG2 3.37Å; H26-V30 PolarHBondContact O-N 3.05Å; T28-V30 VanDerWaalsContact C-N 3.34Å; T28-V30 PolarHBondContact O-N 2.85Å; V30-S33 PolarHBondContact O-OG 3.46Å; V30-I40 HydrophobicContact CB-CD1 4.5Å; V30-I40 HydrophobicContact CG1-CB 4.41Å; V30-I40 HydrophobicContact CG1-CD1 3.31Å; V30-I40 HydrophobicContact CG1-CG1 3.65Å; V30-I40 HydrophobicContact CG1-CG2 3.89Å; V30-I40 VanDerWaalsContact O-CD1 3.28Å; V30-I40 WeakPolarHBondContact O-CD1 3.49Å |
| 31 | T | 80.2 | Confident | 82.2 | Confident | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.043 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -76.7 | -20.7 | 179.3 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | L27 T28 I40 I44 Y66 M70 | L27-T31 WeakPolarHBondContact O-CB 3.33Å; L27-T31 VanDerWaalsContact O-CG2 3.28Å; L27-T31 WeakPolarHBondContact O-CG2 3.29Å; L27-T31 PolarHBondContact O-N 3.36Å; L27-T31 PolarHBondContact O-OG1 3.17Å; T28-T31 PolarHBondContact O-N 2.96Å; T28-T31 PolarHBondContact O-OG1 2.77Å; T31-I40 HydrophobicContact CG2-CG2 4.19Å; T31-I44 HydrophobicContact CG2-CD1 3.98Å; T31-Y66 HydrophobicContact CG2-CD1 3.94Å; T31-M70 HydrophobicContact CG2-CE 4.35Å; T31-M70 HydrophobicContact CG2-SD 3.71Å |
| 32 | Q | 77.1 | Confident | 82.2 | Confident | 138 Ų | 138 | 57.9 Ų | 57.9 | 65% | 0.645 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -98.9 | -22.9 | 177.6 | -66.8 | -179.7 | -4.1 | 0 | 0 | 113.8 | T28 L29 G34 | T28-Q32 HydrophobicContact CG2-CG 4.31Å; T28-Q32 VanDerWaalsContact O-CB 3.26Å; T28-Q32 WeakPolarHBondContact O-CB 3.5Å; T28-Q32 VanDerWaalsContact O-CG 3.28Å; T28-Q32 WeakPolarHBondContact O-CG 3.4Å; T28-Q32 PolarHBondContact O-N 3.45Å; L29-Q32 PolarHBondContact O-N 2.85Å; Q32-G34 PolarHBondContact O-N 3.3Å |
| 33 | S | 70.1 | Confident | 82.2 | Confident | 54 Ų | 54 | 56.4 Ų | 56.4 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | trans | -64.4 | 122.3 | 174.2 | 62.4 | 0 | 0 | 0 | 0 | 109.5 | L29 V30 E35 | L29-S33 WeakPolarHBondContact O-CB 3.32Å; L29-S33 PolarHBondContact O-N 3.41Å; L29-S33 PolarHBondContact O-OG 3.35Å; V30-S33 PolarHBondContact O-OG 3.46Å; S33-E35 PolarHBondContact O-N 2.71Å; S33-E35 VanDerWaalsContact O-N 3.15Å | ||
| 34 | G | 66.4 | Low | 82.2 | Confident | 60 Ų | 60 | 56 Ų | 56 | 62% | 0.619 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -61.6 | -19.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | Q32 | Q32-G34 PolarHBondContact O-N 3.3Š|
| 35 | E | 69.2 | Low | 82.3 | Confident | 160 Ų | 160 | 54.7 Ų | 54.7 | 75% | 0.748 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 125 | 175.9 | -63.9 | -176 | 172 | 0 | 0 | 110.9 | S33 C37 | S33-E35 PolarHBondContact O-N 2.71Å; S33-E35 VanDerWaalsContact O-N 3.15Å; E35-C37 PolarHBondContact O-N 3.31Å |
| 36 | N | 73.8 | Confident | 82.4 | Confident | 109 Ų | 109 | 51.3 Ų | 51.3 | 58% | 0.583 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 15.6 | 178.9 | -61.1 | -50.1 | 0 | 0 | 0 | 118.2 | D38 N39 I40 | N36-D38 VanDerWaalsContact C-N 3.29Å; N36-D38 PolarHBondContact O-N 2.71Å; N36-D38 VanDerWaalsContact O-N 3.15Å; N36-N39 PolarHBondContact O-N 3.45Å; N36-N39 VanDerWaalsContact O-N 3.08Å; N36-I40 HydrophobicContact CB-CD1 4.22Å; N36-I40 WeakPolarHBondContact O-CD1 3.21Å; N36-I40 PolarHBondContact O-N 2.95Å |
| 37 | C | 78.8 | Confident | 82.5 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -49.9 | -42.8 | -177.9 | -169.7 | 0 | 0 | 0 | 0 | 114.2 | E35 N39 I40 C41 S79 | E35-C37 PolarHBondContact O-N 3.31Å; C37-N39 PolarHBondContact O-N 2.68Å; C37-I40 PolarHBondContact O-N 2.71Å; C37-C41 WeakPolarHBondContact O-CB 3.46Å; C37-C41 PolarHBondContact O-N 2.96Å; C37-S79 PolarHBondContact SG-OG 3.33Å |
| 38 | D | 83.5 | Confident | 82.7 | Confident | 51 Ų | 51 | 48 Ų | 48 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 179 | -77.7 | -31.3 | 0 | 0 | 0 | 114 | N36 S42 T80 D81 V84 | N36-D38 VanDerWaalsContact C-N 3.29Å; N36-D38 PolarHBondContact O-N 2.71Å; N36-D38 VanDerWaalsContact O-N 3.15Å; D38-S42 VanDerWaalsContact O-CB 3.27Å; D38-S42 WeakPolarHBondContact O-CB 3.36Å; D38-S42 PolarHBondContact O-N 2.95Å; D38-S42 PolarHBondContact O-OG 3.03Å; D38-T80 WeakPolarHBondContact OD1-CA 3.47Å; D38-T80 WeakPolarHBondContact OD1-CG2 3.48Å; D38-D81 PolarHBondContact OD1-N 3.21Å; D38-V84 HydrophobicContact CB-CG2 3.93Å |
| 39 | N | 85.1 | Confident | 83 | Confident | 109 Ų | 109 | 46.1 Ų | 46.1 | 58% | 0.583 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -68.7 | -40.7 | 179.5 | -71 | -29.4 | 0 | 0 | 0 | 110.5 | N36 C37 A43 | N36-N39 PolarHBondContact O-N 3.45Å; N36-N39 VanDerWaalsContact O-N 3.08Å; C37-N39 PolarHBondContact O-N 2.68Å; N39-A43 WeakPolarHBondContact O-CB 3.34Å; N39-A43 PolarHBondContact O-N 3.06Å |
| 40 | I | 86.4 | Confident | 83 | Confident | 20 Ų | 20 | 42 Ų | 42 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68 | -48 | 179 | -64.2 | 153 | 0 | 0 | 0 | 110.5 | V30 T31 N36 C37 S42 A43 I44 M70 | V30-I40 HydrophobicContact CB-CD1 4.5Å; V30-I40 HydrophobicContact CG1-CB 4.41Å; V30-I40 HydrophobicContact CG1-CD1 3.31Å; V30-I40 HydrophobicContact CG1-CG1 3.65Å; V30-I40 HydrophobicContact CG1-CG2 3.89Å; V30-I40 VanDerWaalsContact O-CD1 3.28Å; V30-I40 WeakPolarHBondContact O-CD1 3.49Å; T31-I40 HydrophobicContact CG2-CG2 4.19Å; N36-I40 HydrophobicContact CB-CD1 4.22Å; N36-I40 WeakPolarHBondContact O-CD1 3.21Å; N36-I40 PolarHBondContact O-N 2.95Å; C37-I40 PolarHBondContact O-N 2.71Å; I40-S42 PolarHBondContact O-N 2.98Å; I40-A43 PolarHBondContact O-N 3.39Å; I40-I44 HydrophobicContact CG2-CD1 3.88Å; I40-I44 HydrophobicContact CG2-CG1 4.4Å; I40-I44 WeakPolarHBondContact O-CG1 3.32Å; I40-I44 PolarHBondContact O-N 3.32Å; I40-M70 HydrophobicContact CG2-CE 4.17Å |
| 41 | C | 86.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 177.8 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | C37 A43 I44 A45 M70 T80 V84 | C37-C41 WeakPolarHBondContact O-CB 3.46Å; C37-C41 PolarHBondContact O-N 2.96Å; C41-A43 VanDerWaalsContact C-N 3.27Å; C41-A43 PolarHBondContact O-N 3.29Å; C41-I44 PolarHBondContact O-N 3.4Å; C41-A45 WeakPolarHBondContact O-CB 3.22Å; C41-A45 PolarHBondContact O-N 2.93Å; C41-M70 HydrophobicContact CB-CE 3.71Å; C41-M70 HydrophobicContact CB-SD 4.44Å; C41-T80 HydrophobicContact CB-CG2 4.04Å; C41-V84 HydrophobicContact CB-CG1 4.03Å |
| 42 | S | 87.3 | Confident | 82.4 | Confident | 19 Ų | 19 | 46.9 Ų | 46.9 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.9 | -38.5 | 176.8 | -69.1 | 0 | 0 | 0 | 0 | 112.6 | D38 I40 S46 V84 | D38-S42 VanDerWaalsContact O-CB 3.27Å; D38-S42 WeakPolarHBondContact O-CB 3.36Å; D38-S42 PolarHBondContact O-N 2.95Å; D38-S42 PolarHBondContact O-OG 3.03Å; I40-S42 PolarHBondContact O-N 2.98Å; S42-S46 WeakPolarHBondContact O-CB 3.34Å; S42-S46 PolarHBondContact O-N 3.11Å; S42-S46 PolarHBondContact O-OG 3.2Å; S42-V84 WeakPolarHBondContact OG-CG1 3.45Å |
| 43 | A | 88 | Confident | 82.5 | Confident | 40 Ų | 40 | 44.1 Ų | 44.1 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -80.2 | -35.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I5 N39 I40 C41 S46 C47 | I5-A43 HydrophobicContact CD1-CB 3.25Å; N39-A43 WeakPolarHBondContact O-CB 3.34Å; N39-A43 PolarHBondContact O-N 3.06Å; I40-A43 PolarHBondContact O-N 3.39Å; C41-A43 VanDerWaalsContact C-N 3.27Å; C41-A43 PolarHBondContact O-N 3.29Å; A43-S46 PolarHBondContact O-N 2.86Å; A43-C47 PolarHBondContact O-N 3.3Å; A43-C47 VanDerWaalsContact O-N 3.08Å |
| 44 | I | 90.4 | Very high | 83.3 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 168.3 | -67.1 | 173 | 0 | 0 | 0 | 110.4 | I5 T31 I40 C41 S46 C47 V48 L67 M70 | I5-I44 HydrophobicContact CD1-CG1 4.26Å; I5-I44 HydrophobicContact CG2-CG1 3.88Å; T31-I44 HydrophobicContact CG2-CD1 3.98Å; I40-I44 HydrophobicContact CG2-CD1 3.88Å; I40-I44 HydrophobicContact CG2-CG1 4.4Å; I40-I44 WeakPolarHBondContact O-CG1 3.32Å; I40-I44 PolarHBondContact O-N 3.32Å; C41-I44 PolarHBondContact O-N 3.4Å; I44-S46 VanDerWaalsContact C-N 3.32Å; I44-S46 PolarHBondContact O-N 3.27Å; I44-C47 PolarHBondContact O-N 2.94Å; I44-C47 PolarHBondContact O-SG 3.25Å; I44-V48 HydrophobicContact CG2-CG2 3.87Å; I44-V48 WeakPolarHBondContact O-CB 3.46Å; I44-V48 VanDerWaalsContact O-CG2 3.28Å; I44-V48 WeakPolarHBondContact O-CG2 3.5Å; I44-V48 PolarHBondContact O-N 3.34Å; I44-L67 HydrophobicContact CG2-CB 4.35Å; I44-L67 HydrophobicContact CG2-CD1 4.49Å; I44-M70 HydrophobicContact CD1-SD 4.02Å |
| 45 | A | 90.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | C41 C47 F49 L67 V88 L91 | C41-A45 WeakPolarHBondContact O-CB 3.22Å; C41-A45 PolarHBondContact O-N 2.93Å; A45-C47 VanDerWaalsContact C-N 3.3Å; A45-C47 PolarHBondContact O-N 3.49Å; A45-F49 HydrophobicContact CB-CD2 4.19Å; A45-F49 HydrophobicContact CB-CE2 4.27Å; A45-F49 WeakPolarHBondContact O-CB 3.42Å; A45-F49 WeakPolarHBondContact O-CD2 3.42Å; A45-F49 PolarHBondContact O-N 3.38Å; A45-F49 VanDerWaalsContact O-N 3.12Å; A45-L67 HydrophobicContact CB-CD1 3.93Å; A45-L67 HydrophobicContact CB-CD2 4.38Å; A45-V88 HydrophobicContact CB-CB 4.2Å; A45-V88 HydrophobicContact CB-CG1 3.99Å; A45-V88 HydrophobicContact CB-CG2 3.63Å; A45-L91 HydrophobicContact CB-CD1 4.19Å |
| 46 | S | 89.6 | Confident | 85.3 | Confident | 48 Ų | 48 | 42.1 Ų | 42.1 | 34% | 0.336 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | 177.9 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | S42 A43 I44 S50 | S42-S46 WeakPolarHBondContact O-CB 3.34Å; S42-S46 PolarHBondContact O-N 3.11Å; S42-S46 PolarHBondContact O-OG 3.2Å; A43-S46 PolarHBondContact O-N 2.86Å; I44-S46 VanDerWaalsContact C-N 3.32Å; I44-S46 PolarHBondContact O-N 3.27Å; S46-S50 WeakPolarHBondContact O-CB 3.28Å; S46-S50 PolarHBondContact O-N 3.12Å; S46-S50 PolarHBondContact O-OG 3.32Å |
| 47 | C | 90.7 | Very high | 85.9 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -80.2 | -45.2 | 178.8 | 78.7 | 0 | 0 | 0 | 0 | 113.1 | I6 L9 A43 I44 A45 F49 S50 | I6-C47 HydrophobicContact CD1-CB 4.45Å; I6-C47 HydrophobicContact CG1-CB 3.9Å; L9-C47 WeakPolarHBondContact CD1-SG 3.4Å; A43-C47 PolarHBondContact O-N 3.3Å; A43-C47 VanDerWaalsContact O-N 3.08Å; I44-C47 PolarHBondContact O-N 2.94Å; I44-C47 PolarHBondContact O-SG 3.25Å; A45-C47 VanDerWaalsContact C-N 3.3Å; A45-C47 PolarHBondContact O-N 3.49Å; C47-F49 VanDerWaalsContact C-N 3.33Å; C47-F49 PolarHBondContact O-N 3.05Å; C47-S50 PolarHBondContact O-N 3.28Å; C47-S50 PolarHBondContact O-OG 3.48Å |
| 48 | V | 90.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.9 | -36.1 | -176 | 171.8 | 0 | 0 | 0 | 0 | 111.9 | L9 I44 L55 R60 L64 | L9-V48 HydrophobicContact CD1-CG2 4.24Å; I44-V48 HydrophobicContact CG2-CG2 3.87Å; I44-V48 WeakPolarHBondContact O-CB 3.46Å; I44-V48 VanDerWaalsContact O-CG2 3.28Å; I44-V48 WeakPolarHBondContact O-CG2 3.5Å; I44-V48 PolarHBondContact O-N 3.34Å; V48-L55 HydrophobicContact CG2-CD2 4.33Å; V48-R60 HydrophobicContact CG1-CG 3.91Å; V48-R60 PolarHBondContact O-NE 3.45Å; V48-L64 HydrophobicContact CG1-CD2 3.43Å; V48-L64 VanDerWaalsContact CG1-CD2 3.43Å; V48-L64 HydrophobicContact CG1-CG 3.54Å |
| 49 | F | 90.7 | Very high | 86.6 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -93.4 | -7.2 | 178.1 | -58.3 | -43.6 | 0 | 0 | 0 | 113.9 | A45 C47 L64 L67 V88 L91 F92 Y95 | A45-F49 HydrophobicContact CB-CD2 4.19Å; A45-F49 HydrophobicContact CB-CE2 4.27Å; A45-F49 WeakPolarHBondContact O-CB 3.42Å; A45-F49 WeakPolarHBondContact O-CD2 3.42Å; A45-F49 PolarHBondContact O-N 3.38Å; A45-F49 VanDerWaalsContact O-N 3.12Å; C47-F49 VanDerWaalsContact C-N 3.33Å; C47-F49 PolarHBondContact O-N 3.05Å; F49-L64 HydrophobicContact CD1-CD2 4.48Å; F49-L64 HydrophobicContact CE1-CD2 3.6Å; F49-L64 HydrophobicContact CZ-CD2 4.22Å; F49-L67 HydrophobicContact CD2-CD2 4.4Å; F49-L67 HydrophobicContact CE1-CD2 4.27Å; F49-L67 HydrophobicContact CE2-CD2 3.38Å; F49-L67 HydrophobicContact CZ-CD2 3.28Å; F49-V88 HydrophobicContact CE2-CG1 3.89Å; F49-L91 HydrophobicContact CB-CB 3.93Å; F49-L91 HydrophobicContact CD2-CB 3.47Å; F49-L91 VanDerWaalsContact CD2-CB 3.47Å; F49-L91 HydrophobicContact CE2-CB 4.33Å; F49-L91 HydrophobicContact CG-CB 4.07Å; F49-F92 HydrophobicContact CE1-CB 4.1Å; F49-F92 AromaticContact CE1-CD2 3.61Å; F49-F92 HydrophobicContact CE1-CD2 3.61Å; F49-F92 HydrophobicContact CE1-CG 4.34Å; F49-F92 HydrophobicContact CE2-CB 3.84Å; F49-F92 HydrophobicContact CZ-CB 3.62Å; F49-F92 AromaticContact CZ-CD2 3.73Å; F49-F92 HydrophobicContact CZ-CD2 3.73Å; F49-F92 HydrophobicContact CZ-CG 4.11Å; F49-Y95 HydrophobicContact CD1-CD1 4.21Å; F49-Y95 HydrophobicContact CD1-CG 4.09Å |
| 50 | S | 85 | Confident | 86.9 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 21% | 0.21 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -72.1 | 155 | 170.6 | 69.8 | 0 | 0 | 0 | 0 | 111.8 | S46 C47 D52 | S46-S50 WeakPolarHBondContact O-CB 3.28Å; S46-S50 PolarHBondContact O-N 3.12Å; S46-S50 PolarHBondContact O-OG 3.32Å; C47-S50 PolarHBondContact O-N 3.28Å; C47-S50 PolarHBondContact O-OG 3.48Å; S50-D52 PolarHBondContact O-N 3.02Å; S50-D52 VanDerWaalsContact OG-CB 3.24Å; S50-D52 WeakPolarHBondContact OG-CB 3.46Å; S50-D52 PolarHBondContact OG-N 3.28Å |
| 51 | S | 74.6 | Confident | 87 | Confident | 88 Ų | 88 | 40.4 Ų | 40.4 | 62% | 0.615 | 24% | 0.244 | S | C | * | . | trans | -80.9 | 20.5 | 167.9 | -49 | 0 | 0 | 0 | 0 | 112.3 | G53 R98 | S51-G53 PolarHBondContact O-N 3.18Å; S51-R98 PolarHBondContact OG-NH1 3.29Å; S51-R98 VanDerWaalsContact OG-NH1 3.1Å | ||
| 52 | D | 76.5 | Confident | 87.2 | Confident | 39 Ų | 39 | 42.1 Ų | 42.1 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | trans | -68 | 115 | -177.5 | -166.5 | -23.4 | 0 | 0 | 0 | 110.4 | I6 S50 R54 L55 | I6-D52 WeakPolarHBondContact CD1-OD2 3.45Å; S50-D52 PolarHBondContact O-N 3.02Å; S50-D52 VanDerWaalsContact OG-CB 3.24Å; S50-D52 WeakPolarHBondContact OG-CB 3.46Å; S50-D52 PolarHBondContact OG-N 3.28Å; D52-R54 PolarHBondContact O-N 2.88Å; D52-R54 VanDerWaalsContact O-N 3.1Å; D52-R54 VanDerWaalsContact OD1-CB 3.26Å; D52-R54 WeakPolarHBondContact OD1-CB 3.35Å; D52-R54 VanDerWaalsContact OD1-CG 3.3Å; D52-R54 WeakPolarHBondContact OD1-CG 3.1Å; D52-R54 PolarHBondContact OD1-N 3.03Å; D52-R54 IonicContact OD1-NE 3.25Å; D52-R54 PolarHBondContact OD1-NE 3.07Å; D52-R54 VanDerWaalsContact OD1-NE 3.07Å; D52-R54 IonicContact OD2-CZ 3.98Å; D52-R54 VanDerWaalsContact OD2-CZ 3.23Å; D52-R54 IonicContact OD2-NE 3.01Å; D52-R54 PolarHBondContact OD2-NE 3.31Å; D52-R54 IonicContact OD2-NH2 2.71Å; D52-R54 PolarHBondContact OD2-NH2 3.02Å; D52-L55 PolarHBondContact O-N 3.03Å | ||
| 53 | G | 78.6 | Confident | 87.4 | Confident | 80 Ų | 80 | 41.2 Ų | 41.2 | 83% | 0.825 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -6.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S51 L55 | S51-G53 PolarHBondContact O-N 3.18Å; G53-L55 VanDerWaalsContact C-N 3.34Å |
| 54 | R | 86.9 | Confident | 87.6 | Confident | 173 Ų | 173 | 39.3 Ų | 39.3 | 65% | 0.653 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -21 | 174.5 | -65.9 | 178.8 | -73.5 | 176 | -3 | 113.2 | I6 N10 D52 | I6-R54 HydrophobicContact CG2-CB 3.86Å; N10-R54 PolarHBondContact ND2-O 3.47Å; D52-R54 PolarHBondContact O-N 2.88Å; D52-R54 VanDerWaalsContact O-N 3.1Å; D52-R54 VanDerWaalsContact OD1-CB 3.26Å; D52-R54 WeakPolarHBondContact OD1-CB 3.35Å; D52-R54 VanDerWaalsContact OD1-CG 3.3Å; D52-R54 WeakPolarHBondContact OD1-CG 3.1Å; D52-R54 PolarHBondContact OD1-N 3.03Å; D52-R54 IonicContact OD1-NE 3.25Å; D52-R54 PolarHBondContact OD1-NE 3.07Å; D52-R54 VanDerWaalsContact OD1-NE 3.07Å; D52-R54 IonicContact OD2-CZ 3.98Å; D52-R54 VanDerWaalsContact OD2-CZ 3.23Å; D52-R54 IonicContact OD2-NE 3.01Å; D52-R54 PolarHBondContact OD2-NE 3.31Å; D52-R54 IonicContact OD2-NH2 2.71Å; D52-R54 PolarHBondContact OD2-NH2 3.02Å |
| 55 | L | 89.7 | Confident | 87.5 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -92.4 | 123.9 | 179 | -175 | 68.7 | 0 | 0 | 0 | 111 | I6 L9 V48 D52 G53 R60 | I6-L55 HydrophobicContact CG2-CB 4.46Å; L9-L55 HydrophobicContact CB-CD1 3.86Å; L9-L55 HydrophobicContact CD1-CD1 4.09Å; V48-L55 HydrophobicContact CG2-CD2 4.33Å; D52-L55 PolarHBondContact O-N 3.03Å; G53-L55 VanDerWaalsContact C-N 3.34Å; L55-R60 HydrophobicContact CD2-CB 3.96Å; L55-R60 HydrophobicContact CD2-CG 4.3Å; L55-R60 HydrophobicContact CG-CB 4.32Å |
| 56 | S | 88.8 | Confident | 87.3 | Confident | 49 Ų | 49 | 43.4 Ų | 43.4 | 34% | 0.343 | 25% | 0.25 | S | C | . | . | trans | -71.1 | 162 | 177.9 | 74.2 | 0 | 0 | 0 | 0 | 112.5 | N10 D58 G59 R60 | N10-S56 PolarHBondContact OD1-N 3.3Å; N10-S56 PolarHBondContact OD1-OG 2.88Å; S56-D58 VanDerWaalsContact C-N 3.3Å; S56-D58 PolarHBondContact O-N 3.38Å; S56-G59 PolarHBondContact O-N 3.5Å; S56-G59 PolarHBondContact OG-N 3.02Å; S56-R60 WeakPolarHBondContact O-CB 3.45Å; S56-R60 PolarHBondContact O-N 3.02Å | ||
| 57 | T | 85.7 | Confident | 87.3 | Confident | 84 Ų | 84 | 41.2 Ų | 41.2 | 52% | 0.515 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 176.6 | -50.9 | 0 | 0 | 0 | 0 | 111.9 | R60 F61 I111 I114 | T57-R60 WeakPolarHBondContact O-CB 3.48Å; T57-R60 PolarHBondContact O-N 3.21Å; T57-F61 PolarHBondContact O-N 3.12Å; T57-I111 HydrophobicContact CG2-CG2 4.07Å; T57-I114 HydrophobicContact CG2-CD1 3.75Å |
| 58 | D | 86.8 | Confident | 87.1 | Confident | 74 Ų | 74 | 41.9 Ų | 41.9 | 40% | 0.396 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -73 | -38.6 | 177.7 | -64.5 | -53.5 | 0 | 0 | 0 | 111.8 | A13 S56 R60 F61 L62 | A13-D58 HydrophobicContact CB-CB 3.9Å; S56-D58 VanDerWaalsContact C-N 3.3Å; S56-D58 PolarHBondContact O-N 3.38Å; D58-R60 PolarHBondContact O-N 3.23Å; D58-F61 PolarHBondContact O-N 3.27Å; D58-L62 WeakPolarHBondContact O-CB 3.16Å; D58-L62 PolarHBondContact O-N 2.71Å |
| 59 | G | 89.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.8 | -37.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S56 G63 | S56-G59 PolarHBondContact O-N 3.5Å; S56-G59 PolarHBondContact OG-N 3.02Å; G59-G63 PolarHBondContact O-N 3.49Å |
| 60 | R | 91.6 | Very high | 86.5 | Confident | 41 Ų | 41 | 44.4 Ų | 44.4 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.5 | -44.7 | 173.9 | -169 | 179 | -69.7 | 164.5 | 6.2 | 112.3 | V48 L55 S56 T57 D58 L62 G63 L64 Y95 | V48-R60 HydrophobicContact CG1-CG 3.91Å; V48-R60 PolarHBondContact O-NE 3.45Å; L55-R60 HydrophobicContact CD2-CB 3.96Å; L55-R60 HydrophobicContact CD2-CG 4.3Å; L55-R60 HydrophobicContact CG-CB 4.32Å; S56-R60 WeakPolarHBondContact O-CB 3.45Å; S56-R60 PolarHBondContact O-N 3.02Å; T57-R60 WeakPolarHBondContact O-CB 3.48Å; T57-R60 PolarHBondContact O-N 3.21Å; D58-R60 PolarHBondContact O-N 3.23Å; R60-L62 PolarHBondContact O-N 3.34Å; R60-G63 PolarHBondContact O-N 3.13Å; R60-L64 WeakPolarHBondContact O-CG 3.32Å; R60-L64 PolarHBondContact O-N 3.17Å; R60-Y95 WeakPolarHBondContact CD-OH 3.44Å; R60-Y95 PolarHBondContact NH1-OH 3.11Å |
| 61 | F | 89 | Confident | 86.4 | Confident | 57 Ų | 57 | 43.5 Ų | 43.5 | 25% | 0.25 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.7 | -48.5 | 175.4 | 174.1 | -101 | 0 | 0 | 0 | 111.3 | T57 D58 L64 I65 R113 I114 L117 | T57-F61 PolarHBondContact O-N 3.12Å; D58-F61 PolarHBondContact O-N 3.27Å; F61-L64 PolarHBondContact O-N 3.19Å; F61-I65 HydrophobicContact CD1-CD1 3.95Å; F61-I65 HydrophobicContact CE1-CD1 3.42Å; F61-I65 VanDerWaalsContact CE1-CD1 3.42Å; F61-I65 HydrophobicContact CE2-CD1 4.36Å; F61-I65 HydrophobicContact CZ-CD1 3.65Å; F61-I65 WeakPolarHBondContact O-CG1 3.44Å; F61-I65 PolarHBondContact O-N 2.77Å; F61-I65 VanDerWaalsContact O-N 3.14Å; F61-R113 HydrophobicContact CD2-CB 4.07Å; F61-R113 HydrophobicContact CE2-CB 4.01Å; F61-I114 HydrophobicContact CB-CG1 4.5Å; F61-L117 HydrophobicContact CD2-CD1 3.39Å; F61-L117 HydrophobicContact CD2-CG 4.45Å; F61-L117 HydrophobicContact CE2-CD1 3.29Å; F61-L117 HydrophobicContact CE2-CG 4.03Å; F61-L117 HydrophobicContact CG-CD1 4.32Å; F61-L117 HydrophobicContact CZ-CD1 4.16Å |
| 62 | L | 90.5 | Very high | 86.6 | Confident | 36 Ų | 36 | 40.5 Ų | 40.5 | 19% | 0.188 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -47.6 | 176.3 | -169.5 | 65.4 | 0 | 0 | 0 | 110.9 | A12 A13 L27 D58 R60 L64 I65 Y66 | A12-L62 HydrophobicContact CB-CD2 3.59Å; A13-L62 HydrophobicContact CB-CD2 4.3Å; L27-L62 HydrophobicContact CD2-CD2 4.27Å; D58-L62 WeakPolarHBondContact O-CB 3.16Å; D58-L62 PolarHBondContact O-N 2.71Å; R60-L62 PolarHBondContact O-N 3.34Å; L62-L64 VanDerWaalsContact C-N 3.31Å; L62-L64 PolarHBondContact O-N 2.8Å; L62-I65 WeakPolarHBondContact O-CB 3.31Å; L62-I65 PolarHBondContact O-N 3.07Å; L62-Y66 HydrophobicContact CD1-CD2 4.15Å; L62-Y66 HydrophobicContact CD1-CE2 3.72Å; L62-Y66 HydrophobicContact CD2-CE2 4.38Å; L62-Y66 HydrophobicContact CG-CD2 3.97Å; L62-Y66 HydrophobicContact CG-CE2 3.82Å; L62-Y66 WeakPolarHBondContact O-CD2 3.35Å; L62-Y66 PolarHBondContact O-N 3.16Å |
| 63 | G | 91.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.1 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G59 R60 Y66 L67 | G59-G63 PolarHBondContact O-N 3.49Å; R60-G63 PolarHBondContact O-N 3.13Å; G63-Y66 PolarHBondContact O-N 3.05Å; G63-L67 VanDerWaalsContact O-CB 3.22Å; G63-L67 WeakPolarHBondContact O-CB 3.42Å; G63-L67 PolarHBondContact O-N 2.85Å |
| 64 | L | 91.3 | Very high | 85.8 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.6 | -37.6 | 174.1 | -73.2 | 170.8 | 0 | 0 | 0 | 112.4 | V48 F49 R60 F61 L62 K68 I114 L117 L121 | V48-L64 HydrophobicContact CG1-CD2 3.43Å; V48-L64 VanDerWaalsContact CG1-CD2 3.43Å; V48-L64 HydrophobicContact CG1-CG 3.54Å; F49-L64 HydrophobicContact CD1-CD2 4.48Å; F49-L64 HydrophobicContact CE1-CD2 3.6Å; F49-L64 HydrophobicContact CZ-CD2 4.22Å; R60-L64 WeakPolarHBondContact O-CG 3.32Å; R60-L64 PolarHBondContact O-N 3.17Å; F61-L64 PolarHBondContact O-N 3.19Å; L62-L64 VanDerWaalsContact C-N 3.31Å; L62-L64 PolarHBondContact O-N 2.8Å; L64-K68 WeakPolarHBondContact O-CB 3.2Å; L64-K68 PolarHBondContact O-N 3.34Å; L64-I114 HydrophobicContact CD1-CG1 4.45Å; L64-I114 HydrophobicContact CD1-CG2 4.18Å; L64-L117 HydrophobicContact CB-CD1 4.16Å; L64-L121 HydrophobicContact CD2-CD1 3.84Å |
| 65 | I | 88.4 | Confident | 84.7 | Confident | 47 Ų | 47 | 43 Ų | 43 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.5 | -49.4 | 175.7 | -67.8 | 170.5 | 0 | 0 | 0 | 110.3 | F61 L62 L67 K68 N69 L117 | F61-I65 HydrophobicContact CD1-CD1 3.95Å; F61-I65 HydrophobicContact CE1-CD1 3.42Å; F61-I65 VanDerWaalsContact CE1-CD1 3.42Å; F61-I65 HydrophobicContact CE2-CD1 4.36Å; F61-I65 HydrophobicContact CZ-CD1 3.65Å; F61-I65 WeakPolarHBondContact O-CG1 3.44Å; F61-I65 PolarHBondContact O-N 2.77Å; F61-I65 VanDerWaalsContact O-N 3.14Å; L62-I65 WeakPolarHBondContact O-CB 3.31Å; L62-I65 PolarHBondContact O-N 3.07Å; I65-L67 VanDerWaalsContact C-N 3.34Å; I65-L67 PolarHBondContact O-N 3.49Å; I65-K68 WeakPolarHBondContact O-CB 3.28Å; I65-K68 PolarHBondContact O-N 3.01Å; I65-N69 VanDerWaalsContact O-CG 3.27Å; I65-N69 PolarHBondContact O-N 3.14Å; I65-L117 HydrophobicContact CG1-CD1 3.87Å; I65-L117 HydrophobicContact CG1-CD2 4.41Å |
| 66 | Y | 88.1 | Confident | 83.2 | Confident | 40 Ų | 40 | 44.4 Ų | 44.4 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | 178.2 | -83.6 | -86.5 | 0 | 0 | 0 | 111.3 | L27 T28 T31 L62 G63 K68 N69 M70 | L27-Y66 HydrophobicContact CD2-CD1 4.32Å; L27-Y66 HydrophobicContact CD2-CD2 3.55Å; L27-Y66 HydrophobicContact CD2-CE1 4.07Å; L27-Y66 HydrophobicContact CD2-CE2 3.27Å; L27-Y66 HydrophobicContact CD2-CG 4.08Å; L27-Y66 HydrophobicContact CG-CD1 4.32Å; L27-Y66 HydrophobicContact CG-CD2 4.39Å; L27-Y66 HydrophobicContact CG-CE1 4.07Å; L27-Y66 HydrophobicContact CG-CE2 4.17Å; L27-Y66 HydrophobicContact CG-CG 4.47Å; T28-Y66 PolarHBondContact OG1-OH 3.16Å; T31-Y66 HydrophobicContact CG2-CD1 3.94Å; L62-Y66 HydrophobicContact CD1-CD2 4.15Å; L62-Y66 HydrophobicContact CD1-CE2 3.72Å; L62-Y66 HydrophobicContact CD2-CE2 4.38Å; L62-Y66 HydrophobicContact CG-CD2 3.97Å; L62-Y66 HydrophobicContact CG-CE2 3.82Å; L62-Y66 WeakPolarHBondContact O-CD2 3.35Å; L62-Y66 PolarHBondContact O-N 3.16Å; G63-Y66 PolarHBondContact O-N 3.05Å; Y66-K68 PolarHBondContact O-N 3.09Å; Y66-N69 PolarHBondContact O-N 3.02Å; Y66-M70 WeakPolarHBondContact O-CB 3.24Å; Y66-M70 VanDerWaalsContact O-CG 3.29Å; Y66-M70 WeakPolarHBondContact O-CG 3.3Å; Y66-M70 PolarHBondContact O-N 2.88Å |
| 67 | L | 88.8 | Confident | 81.6 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 176.2 | -171.9 | 70.1 | 0 | 0 | 0 | 111.8 | I44 A45 F49 G63 I65 N69 M70 V71 V88 | I44-L67 HydrophobicContact CG2-CB 4.35Å; I44-L67 HydrophobicContact CG2-CD1 4.49Å; A45-L67 HydrophobicContact CB-CD1 3.93Å; A45-L67 HydrophobicContact CB-CD2 4.38Å; F49-L67 HydrophobicContact CD2-CD2 4.4Å; F49-L67 HydrophobicContact CE1-CD2 4.27Å; F49-L67 HydrophobicContact CE2-CD2 3.38Å; F49-L67 HydrophobicContact CZ-CD2 3.28Å; G63-L67 VanDerWaalsContact O-CB 3.22Å; G63-L67 WeakPolarHBondContact O-CB 3.42Å; G63-L67 PolarHBondContact O-N 2.85Å; I65-L67 VanDerWaalsContact C-N 3.34Å; I65-L67 PolarHBondContact O-N 3.49Å; L67-N69 VanDerWaalsContact C-N 3.28Å; L67-N69 PolarHBondContact O-N 3.38Å; L67-M70 PolarHBondContact O-N 3.21Å; L67-V71 HydrophobicContact CD1-CG2 4.14Å; L67-V71 HydrophobicContact CG-CG2 4.28Å; L67-V71 WeakPolarHBondContact O-CB 3.26Å; L67-V71 VanDerWaalsContact O-CG2 3.22Å; L67-V71 WeakPolarHBondContact O-CG2 3.15Å; L67-V71 PolarHBondContact O-N 3.21Å; L67-V88 HydrophobicContact CD1-CG1 3.82Å; L67-V88 HydrophobicContact CD1-CG2 4.33Å; L67-V88 HydrophobicContact CD2-CG1 3.8Å; L67-V88 HydrophobicContact CG-CG1 4.05Å |
| 68 | K | 87.1 | Confident | 80 | Confident | 24 Ų | 24 | 52 Ų | 52 | 10% | 0.104 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56 | -43.9 | 174.7 | -177.1 | -179.6 | 76.7 | 170 | 0 | 111.4 | L64 I65 Y66 F72 E120 L121 | L64-K68 WeakPolarHBondContact O-CB 3.2Å; L64-K68 PolarHBondContact O-N 3.34Å; I65-K68 WeakPolarHBondContact O-CB 3.28Å; I65-K68 PolarHBondContact O-N 3.01Å; Y66-K68 PolarHBondContact O-N 3.09Å; K68-F72 HydrophobicContact CG-CD2 4.21Å; K68-F72 WeakPolarHBondContact O-CB 3.31Å; K68-F72 WeakPolarHBondContact O-CD2 3.5Å; K68-F72 PolarHBondContact O-N 2.89Å; K68-E120 WeakPolarHBondContact CD-OE1 3.35Å; K68-E120 IonicContact NZ-OE1 3.97Å; K68-E120 PolarHBondContact NZ-OE1 2.92Å; K68-E120 IonicContact NZ-OE2 3.3Å; K68-E120 PolarHBondContact NZ-OE2 3.37Å; K68-L121 HydrophobicContact CB-CD2 3.9Å; K68-L121 HydrophobicContact CG-CD2 3.98Å |
| 69 | N | 85.2 | Confident | 78.7 | Confident | 55 Ų | 55 | 50.6 Ų | 50.6 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.9 | -45.6 | -179.7 | -66.2 | -12.5 | 0 | 0 | 0 | 111.3 | I65 Y66 L67 V71 D73 I76 | I65-N69 VanDerWaalsContact O-CG 3.27Å; I65-N69 PolarHBondContact O-N 3.14Å; Y66-N69 PolarHBondContact O-N 3.02Å; L67-N69 VanDerWaalsContact C-N 3.28Å; L67-N69 PolarHBondContact O-N 3.38Å; N69-V71 VanDerWaalsContact C-N 3.32Å; N69-V71 PolarHBondContact O-N 3.4Å; N69-D73 WeakPolarHBondContact O-CA 3.43Å; N69-D73 WeakPolarHBondContact O-CB 3.36Å; N69-D73 PolarHBondContact O-N 3.49Å; N69-I76 HydrophobicContact CB-CD1 4.42Å |
| 70 | M | 82.9 | Confident | 77.6 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.6 | -38.4 | 177.8 | -69.2 | -179.9 | 83.1 | 0 | 0 | 112.7 | T31 I40 C41 I44 Y66 L67 | T31-M70 HydrophobicContact CG2-CE 4.35Å; T31-M70 HydrophobicContact CG2-SD 3.71Å; I40-M70 HydrophobicContact CG2-CE 4.17Å; C41-M70 HydrophobicContact CB-CE 3.71Å; C41-M70 HydrophobicContact CB-SD 4.44Å; I44-M70 HydrophobicContact CD1-SD 4.02Å; Y66-M70 WeakPolarHBondContact O-CB 3.24Å; Y66-M70 VanDerWaalsContact O-CG 3.29Å; Y66-M70 WeakPolarHBondContact O-CG 3.3Å; Y66-M70 PolarHBondContact O-N 2.88Å; L67-M70 PolarHBondContact O-N 3.21Å |
| 71 | V | 82.4 | Confident | 77 | Confident | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -81.6 | -38.1 | -176.4 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | L67 N69 V88 | L67-V71 HydrophobicContact CD1-CG2 4.14Å; L67-V71 HydrophobicContact CG-CG2 4.28Å; L67-V71 WeakPolarHBondContact O-CB 3.26Å; L67-V71 VanDerWaalsContact O-CG2 3.22Å; L67-V71 WeakPolarHBondContact O-CG2 3.15Å; L67-V71 PolarHBondContact O-N 3.21Å; N69-V71 VanDerWaalsContact C-N 3.32Å; N69-V71 PolarHBondContact O-N 3.4Å; V71-V88 HydrophobicContact CG2-CG1 4.2Å |
| 72 | F | 80.4 | Confident | 76.5 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 11% | 0.114 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -117.4 | -13.9 | -167.6 | -58.2 | -62.7 | 0 | 0 | 0 | 116 | K68 V74 L121 R124 Y125 N128 | K68-F72 HydrophobicContact CG-CD2 4.21Å; K68-F72 WeakPolarHBondContact O-CB 3.31Å; K68-F72 WeakPolarHBondContact O-CD2 3.5Å; K68-F72 PolarHBondContact O-N 2.89Å; F72-V74 PolarHBondContact O-N 2.86Å; F72-L121 HydrophobicContact CD2-CD2 4.32Å; F72-L121 HydrophobicContact CE2-CD2 3.74Å; F72-R124 HydrophobicContact CD1-CB 4.32Å; F72-R124 HydrophobicContact CD2-CB 4.07Å; F72-R124 HydrophobicContact CE1-CB 4.14Å; F72-R124 HydrophobicContact CE2-CB 3.9Å; F72-R124 HydrophobicContact CG-CB 4.26Å; F72-R124 HydrophobicContact CZ-CB 3.91Å; F72-Y125 HydrophobicContact CE1-CD1 4.22Å; F72-Y125 HydrophobicContact CE1-CE1 4.3Å; F72-Y125 HydrophobicContact CE2-CE2 4.32Å; F72-Y125 AromaticContact CZ-CD1 3.77Å; F72-Y125 HydrophobicContact CZ-CD1 3.77Å; F72-Y125 AromaticContact CZ-CD2 3.95Å; F72-Y125 HydrophobicContact CZ-CD2 3.95Å; F72-Y125 AromaticContact CZ-CE1 3.72Å; F72-Y125 HydrophobicContact CZ-CE1 3.72Å; F72-Y125 AromaticContact CZ-CE2 3.91Å; F72-Y125 HydrophobicContact CZ-CE2 3.91Å; F72-Y125 AromaticContact CZ-CG 3.87Å; F72-Y125 HydrophobicContact CZ-CG 3.87Å; F72-Y125 AromaticContact CZ-CZ 3.79Å; F72-N128 WeakPolarHBondContact CD1-ND2 3.22Å; F72-N128 WeakPolarHBondContact CE1-ND2 3.3Å |
| 73 | D | 75.7 | Confident | 76.1 | Confident | 57 Ų | 57 | 57 Ų | 57 | 31% | 0.305 | 29% | 0.288 | S | S | . | . | trans | -75 | 125.9 | 177.9 | -165.6 | -25.2 | 0 | 0 | 0 | 110.8 | N69 K75 I76 R77 | N69-D73 WeakPolarHBondContact O-CA 3.43Å; N69-D73 WeakPolarHBondContact O-CB 3.36Å; N69-D73 PolarHBondContact O-N 3.49Å; D73-K75 PolarHBondContact O-N 3.36Å; D73-K75 PolarHBondContact OD1-N 3.4Å; D73-I76 HydrophobicContact CB-CD1 4.28Å; D73-I76 HydrophobicContact CB-CG1 4.43Å; D73-I76 PolarHBondContact O-N 2.95Å; D73-R77 WeakPolarHBondContact O-CB 3.45Å; D73-R77 PolarHBondContact O-N 3.39Å; D73-R77 VanDerWaalsContact O-N 3.14Å | ||
| 74 | V | 60.7 | Low | 75.8 | Confident | 99 Ų | 99 | 57.7 Ų | 57.7 | 60% | 0.6 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.4 | -179.9 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | F72 I76 R77 | F72-V74 PolarHBondContact O-N 2.86Å; V74-I76 VanDerWaalsContact C-N 3.35Å; V74-I76 PolarHBondContact O-N 3.21Å; V74-R77 WeakPolarHBondContact O-CB 3.35Å |
| 75 | K | 65 | Low | 75.3 | Confident | 188 Ų | 188 | 60.1 Ų | 60.1 | 82% | 0.817 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -29.5 | -177.6 | -66.9 | -176.3 | 178.7 | -178.6 | 0 | 113.4 | D73 | D73-K75 PolarHBondContact O-N 3.36Å; D73-K75 PolarHBondContact OD1-N 3.4Å |
| 76 | I | 58.5 | Low | 75 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 21% | 0.205 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -18.9 | -177.8 | -55.6 | 172.2 | 0 | 0 | 0 | 110.8 | N69 D73 V74 H78 S79 | N69-I76 HydrophobicContact CB-CD1 4.42Å; D73-I76 HydrophobicContact CB-CD1 4.28Å; D73-I76 HydrophobicContact CB-CG1 4.43Å; D73-I76 PolarHBondContact O-N 2.95Å; V74-I76 VanDerWaalsContact C-N 3.35Å; V74-I76 PolarHBondContact O-N 3.21Å; I76-H78 PolarHBondContact O-N 2.85Å; I76-S79 PolarHBondContact O-OG 3.22Å |
| 77 | R | 53.7 | Low | 75 | Confident | 110 Ų | 110 | 67 Ų | 67 | 42% | 0.415 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -55.4 | -22.6 | -165.4 | -156.9 | 175.6 | -178 | 170.6 | 5 | 116.9 | D73 V74 S79 | D73-R77 WeakPolarHBondContact O-CB 3.45Å; D73-R77 PolarHBondContact O-N 3.39Å; D73-R77 VanDerWaalsContact O-N 3.14Å; V74-R77 WeakPolarHBondContact O-CB 3.35Å; R77-S79 PolarHBondContact O-N 3.38Å |
| 78 | H | 53.9 | Low | 74.9 | Confident | 182 Ų | 182 | 66.9 Ų | 66.9 | 84% | 0.843 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -73.6 | -6 | -169.8 | -68.1 | -56.5 | 0 | 0 | 0 | 114.9 | I76 | I76-H78 PolarHBondContact O-N 2.85Š|
| 79 | S | 57.8 | Low | 74.9 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 32% | 0.315 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -111.5 | -10.9 | -172.4 | 57.8 | 0 | 0 | 0 | 0 | 116.6 | C37 I76 R77 | C37-S79 PolarHBondContact SG-OG 3.33Å; I76-S79 PolarHBondContact O-OG 3.22Å; R77-S79 PolarHBondContact O-N 3.38Å |
| 80 | T | 67.6 | Low | 75 | Confident | 11 Ų | 11 | 71 Ų | 71 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | trans | -104.5 | 122.7 | -171.1 | -14.6 | 0 | 0 | 0 | 0 | 114.5 | D38 C41 V84 | D38-T80 WeakPolarHBondContact OD1-CA 3.47Å; D38-T80 WeakPolarHBondContact OD1-CG2 3.48Å; C41-T80 HydrophobicContact CB-CG2 4.04Å; T80-V84 HydrophobicContact CG2-CB 4.32Å; T80-V84 HydrophobicContact CG2-CG1 4.09Å | ||
| 81 | D | 78.7 | Confident | 75.4 | Confident | 60 Ų | 60 | 73 Ų | 73 | 32% | 0.321 | 36% | 0.357 | S | S | . | . | trans | -58.1 | 132.6 | 179.4 | -177.3 | -15.5 | 0 | 0 | 0 | 111.5 | D38 N83 V84 K85 | D38-D81 PolarHBondContact OD1-N 3.21Å; D81-N83 PolarHBondContact O-N 3.37Å; D81-N83 VanDerWaalsContact O-N 3.12Å; D81-N83 WeakPolarHBondContact OD1-CB 3.15Å; D81-N83 PolarHBondContact OD1-N 3.03Å; D81-N83 PolarHBondContact OD1-ND2 3.31Å; D81-N83 PolarHBondContact OD2-ND2 2.75Å; D81-N83 VanDerWaalsContact OD2-ND2 3.17Å; D81-V84 HydrophobicContact CB-CG2 4.26Å; D81-V84 WeakPolarHBondContact O-CB 3.12Å; D81-V84 PolarHBondContact O-N 3.23Å; D81-K85 PolarHBondContact O-N 3.17Å | ||
| 82 | P | 77.7 | Confident | 75.9 | Confident | 91 Ų | 91 | 72.5 Ų | 72.5 | 59% | 0.591 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -42.8 | -36.4 | 166.4 | -30.3 | 34.1 | 0 | 0 | 0 | 115.9 | V84 K85 R86 | P82-V84 VanDerWaalsContact C-N 3.35Å; P82-K85 PolarHBondContact O-N 3.03Å; P82-R86 PolarHBondContact O-N 3.43Å; P82-R86 VanDerWaalsContact O-N 3.11Å |
| 83 | N | 83.2 | Confident | 76.3 | Confident | 105 Ų | 105 | 72.3 Ų | 72.3 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.2 | -37.4 | 178.2 | -66.5 | -47.4 | 0 | 0 | 0 | 112.4 | D81 K87 | D81-N83 PolarHBondContact O-N 3.37Å; D81-N83 VanDerWaalsContact O-N 3.12Å; D81-N83 WeakPolarHBondContact OD1-CB 3.15Å; D81-N83 PolarHBondContact OD1-N 3.03Å; D81-N83 PolarHBondContact OD1-ND2 3.31Å; D81-N83 PolarHBondContact OD2-ND2 2.75Å; D81-N83 VanDerWaalsContact OD2-ND2 3.17Å; N83-K87 PolarHBondContact O-N 3.22Å |
| 84 | V | 84.4 | Confident | 77.1 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 175.1 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | D38 C41 S42 T80 D81 P82 R86 K87 V88 | D38-V84 HydrophobicContact CB-CG2 3.93Å; C41-V84 HydrophobicContact CB-CG1 4.03Å; S42-V84 WeakPolarHBondContact OG-CG1 3.45Å; T80-V84 HydrophobicContact CG2-CB 4.32Å; T80-V84 HydrophobicContact CG2-CG1 4.09Å; D81-V84 HydrophobicContact CB-CG2 4.26Å; D81-V84 WeakPolarHBondContact O-CB 3.12Å; D81-V84 PolarHBondContact O-N 3.23Å; P82-V84 VanDerWaalsContact C-N 3.35Å; V84-R86 PolarHBondContact O-N 3.46Å; V84-K87 WeakPolarHBondContact O-CA 3.17Å; V84-K87 WeakPolarHBondContact O-CB 3.27Å; V84-K87 PolarHBondContact O-N 2.9Å; V84-V88 HydrophobicContact CG1-CG2 4.24Å; V84-V88 WeakPolarHBondContact O-CG2 3.21Å; V84-V88 PolarHBondContact O-N 2.89Å |
| 85 | K | 80.8 | Confident | 78.6 | Confident | 52 Ų | 52 | 68.4 Ų | 68.4 | 23% | 0.226 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 179.2 | -66.3 | 179.4 | -174.8 | 171.9 | 0 | 112.7 | D81 P82 K87 V88 E89 | D81-K85 PolarHBondContact O-N 3.17Å; P82-K85 PolarHBondContact O-N 3.03Å; K85-K87 VanDerWaalsContact C-N 3.27Å; K85-K87 PolarHBondContact O-N 3.05Å; K85-V88 PolarHBondContact O-N 2.83Å; K85-E89 WeakPolarHBondContact O-CB 3.46Å; K85-E89 PolarHBondContact O-N 3.21Å |
| 86 | R | 82.7 | Confident | 79.9 | Confident | 136 Ų | 136 | 59.5 Ų | 59.5 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.5 | -39.4 | 174 | -77.1 | -179.8 | 173.2 | 174 | -7.4 | 112.1 | P82 V84 M90 | P82-R86 PolarHBondContact O-N 3.43Å; P82-R86 VanDerWaalsContact O-N 3.11Å; V84-R86 PolarHBondContact O-N 3.46Å; R86-M90 WeakPolarHBondContact O-CG 3.48Å; R86-M90 PolarHBondContact O-N 3.4Å; R86-M90 VanDerWaalsContact O-N 3.1Å |
| 87 | K | 87 | Confident | 81.5 | Confident | 95 Ų | 95 | 59.1 Ų | 59.1 | 41% | 0.413 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 175.5 | -172.1 | -177.1 | 177.5 | -176.1 | 0 | 112.4 | N83 V84 K85 E89 M90 L91 | N83-K87 PolarHBondContact O-N 3.22Å; V84-K87 WeakPolarHBondContact O-CA 3.17Å; V84-K87 WeakPolarHBondContact O-CB 3.27Å; V84-K87 PolarHBondContact O-N 2.9Å; K85-K87 VanDerWaalsContact C-N 3.27Å; K85-K87 PolarHBondContact O-N 3.05Å; K87-E89 VanDerWaalsContact C-N 3.32Å; K87-E89 PolarHBondContact O-N 3.35Å; K87-M90 PolarHBondContact O-N 3.13Å; K87-L91 HydrophobicContact CG-CD1 4.41Å; K87-L91 WeakPolarHBondContact O-CG 3.42Å; K87-L91 PolarHBondContact O-N 3.38Å; K87-L91 VanDerWaalsContact O-N 3.15Å |
| 88 | V | 88.2 | Confident | 83.3 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | A45 F49 L67 V71 V84 K85 L91 F92 | A45-V88 HydrophobicContact CB-CB 4.2Å; A45-V88 HydrophobicContact CB-CG1 3.99Å; A45-V88 HydrophobicContact CB-CG2 3.63Å; F49-V88 HydrophobicContact CE2-CG1 3.89Å; L67-V88 HydrophobicContact CD1-CG1 3.82Å; L67-V88 HydrophobicContact CD1-CG2 4.33Å; L67-V88 HydrophobicContact CD2-CG1 3.8Å; L67-V88 HydrophobicContact CG-CG1 4.05Å; V71-V88 HydrophobicContact CG2-CG1 4.2Å; V84-V88 HydrophobicContact CG1-CG2 4.24Å; V84-V88 WeakPolarHBondContact O-CG2 3.21Å; V84-V88 PolarHBondContact O-N 2.89Å; K85-V88 PolarHBondContact O-N 2.83Å; V88-L91 PolarHBondContact O-N 3.34Å; V88-F92 PolarHBondContact O-N 2.93Å |
| 89 | E | 85.7 | Confident | 85 | Confident | 37 Ų | 37 | 52.1 Ų | 52.1 | 17% | 0.173 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 177.8 | -173 | -159 | 137.5 | 0 | 0 | 112.3 | K85 K87 L91 F92 F93 Y125 W135 | K85-E89 WeakPolarHBondContact O-CB 3.46Å; K85-E89 PolarHBondContact O-N 3.21Å; K87-E89 VanDerWaalsContact C-N 3.32Å; K87-E89 PolarHBondContact O-N 3.35Å; E89-L91 VanDerWaalsContact C-N 3.3Å; E89-L91 PolarHBondContact O-N 2.87Å; E89-F92 WeakPolarHBondContact O-CB 3.33Å; E89-F92 PolarHBondContact O-N 3.39Å; E89-F92 VanDerWaalsContact O-N 3.14Å; E89-F93 HydrophobicContact CG-CD2 3.98Å; E89-F93 HydrophobicContact CG-CE2 3.73Å; E89-F93 WeakPolarHBondContact O-CD2 3.31Å; E89-F93 PolarHBondContact O-N 3.21Å; E89-F93 VanDerWaalsContact O-N 3.14Å; E89-Y125 HydrophobicContact CB-CE1 3.93Å; E89-Y125 HydrophobicContact CG-CD1 4.15Å; E89-Y125 HydrophobicContact CG-CE1 3.87Å; E89-W135 VanDerWaalsContact CD-NE1 3.34Å; E89-W135 PolarHBondContact OE1-NE1 3.39Å |
| 90 | M | 88 | Confident | 86.5 | Confident | 127 Ų | 127 | 52.4 Ų | 52.4 | 63% | 0.626 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -57.4 | -43.9 | 176.7 | -73.6 | -170.6 | -61.9 | 0 | 0 | 111.9 | R86 K87 F92 D94 | R86-M90 WeakPolarHBondContact O-CG 3.48Å; R86-M90 PolarHBondContact O-N 3.4Å; R86-M90 VanDerWaalsContact O-N 3.1Å; K87-M90 PolarHBondContact O-N 3.13Å; M90-F92 VanDerWaalsContact C-N 3.35Å; M90-F92 PolarHBondContact O-N 3.42Å; M90-D94 WeakPolarHBondContact O-CB 3.46Å; M90-D94 PolarHBondContact O-N 2.99Å; M90-D94 VanDerWaalsContact O-N 3.1Å |
| 91 | L | 91.3 | Very high | 87.4 | Confident | 45 Ų | 45 | 55 Ų | 55 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -35.8 | 177.7 | -69.4 | 170.8 | 0 | 0 | 0 | 112.4 | A45 F49 K87 V88 E89 Y95 | A45-L91 HydrophobicContact CB-CD1 4.19Å; F49-L91 HydrophobicContact CB-CB 3.93Å; F49-L91 HydrophobicContact CD2-CB 3.47Å; F49-L91 VanDerWaalsContact CD2-CB 3.47Å; F49-L91 HydrophobicContact CE2-CB 4.33Å; F49-L91 HydrophobicContact CG-CB 4.07Å; K87-L91 HydrophobicContact CG-CD1 4.41Å; K87-L91 WeakPolarHBondContact O-CG 3.42Å; K87-L91 PolarHBondContact O-N 3.38Å; K87-L91 VanDerWaalsContact O-N 3.15Å; V88-L91 PolarHBondContact O-N 3.34Å; E89-L91 VanDerWaalsContact C-N 3.3Å; E89-L91 PolarHBondContact O-N 2.87Å; L91-Y95 WeakPolarHBondContact O-CB 3.48Å; L91-Y95 PolarHBondContact O-N 2.89Å |
| 92 | F | 92.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 178.3 | 173.9 | -115.9 | 0 | 0 | 0 | 112.5 | F49 V88 E89 M90 Y95 I96 V118 L121 Y125 | F49-F92 HydrophobicContact CE1-CB 4.1Å; F49-F92 AromaticContact CE1-CD2 3.61Å; F49-F92 HydrophobicContact CE1-CD2 3.61Å; F49-F92 HydrophobicContact CE1-CG 4.34Å; F49-F92 HydrophobicContact CE2-CB 3.84Å; F49-F92 HydrophobicContact CZ-CB 3.62Å; F49-F92 AromaticContact CZ-CD2 3.73Å; F49-F92 HydrophobicContact CZ-CD2 3.73Å; F49-F92 HydrophobicContact CZ-CG 4.11Å; V88-F92 PolarHBondContact O-N 2.93Å; E89-F92 WeakPolarHBondContact O-CB 3.33Å; E89-F92 PolarHBondContact O-N 3.39Å; E89-F92 VanDerWaalsContact O-N 3.14Å; M90-F92 VanDerWaalsContact C-N 3.35Å; M90-F92 PolarHBondContact O-N 3.42Å; F92-Y95 WeakPolarHBondContact O-CB 3.36Å; F92-Y95 PolarHBondContact O-N 3.31Å; F92-I96 HydrophobicContact CD1-CD1 4.43Å; F92-I96 HydrophobicContact CE1-CD1 3.77Å; F92-I96 HydrophobicContact CE2-CD1 4.02Å; F92-I96 HydrophobicContact CE2-CG1 4.38Å; F92-I96 HydrophobicContact CZ-CD1 3.55Å; F92-I96 HydrophobicContact CZ-CG1 4.4Å; F92-I96 PolarHBondContact O-N 3.23Å; F92-I96 VanDerWaalsContact O-N 3.16Å; F92-V118 HydrophobicContact CE2-CG1 4.3Å; F92-V118 HydrophobicContact CZ-CG1 4.27Å; F92-L121 HydrophobicContact CD2-CD1 4.32Å; F92-L121 HydrophobicContact CE1-CB 4.24Å; F92-L121 HydrophobicContact CE2-CB 3.88Å; F92-L121 HydrophobicContact CE2-CD1 3.83Å; F92-L121 HydrophobicContact CZ-CB 3.58Å; F92-L121 HydrophobicContact CZ-CD1 4.4Å; F92-Y125 HydrophobicContact CB-CE2 4.4Å; F92-Y125 AromaticContact CD1-CD2 3.76Å; F92-Y125 HydrophobicContact CD1-CD2 3.76Å; F92-Y125 AromaticContact CD1-CE2 3.54Å; F92-Y125 HydrophobicContact CD1-CE2 3.54Å; F92-Y125 AromaticContact CE1-CD2 3.8Å; F92-Y125 HydrophobicContact CE1-CD2 3.8Å; F92-Y125 AromaticContact CE1-CE2 3.97Å; F92-Y125 HydrophobicContact CE1-CE2 3.97Å; F92-Y125 HydrophobicContact CG-CE2 4.03Å |
| 93 | F | 89.9 | Confident | 87.8 | Confident | 23 Ų | 23 | 58.1 Ų | 58.1 | 10% | 0.101 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.4 | -32.1 | 179.7 | -70.4 | -59.6 | 0 | 0 | 0 | 112.8 | E89 Y95 I96 S97 W135 L139 W146 | E89-F93 HydrophobicContact CG-CD2 3.98Å; E89-F93 HydrophobicContact CG-CE2 3.73Å; E89-F93 WeakPolarHBondContact O-CD2 3.31Å; E89-F93 PolarHBondContact O-N 3.21Å; E89-F93 VanDerWaalsContact O-N 3.14Å; F93-Y95 VanDerWaalsContact C-N 3.26Å; F93-Y95 PolarHBondContact O-N 2.87Å; F93-I96 HydrophobicContact CD1-CD1 4.33Å; F93-I96 PolarHBondContact O-N 2.81Å; F93-S97 WeakPolarHBondContact O-CB 3.37Å; F93-S97 PolarHBondContact O-N 3.12Å; F93-W135 AromaticContact CE2-CZ2 3.84Å; F93-W135 HydrophobicContact CE2-CZ2 3.84Å; F93-W135 HydrophobicContact CZ-CH2 4.19Å; F93-W135 AromaticContact CZ-CZ2 3.96Å; F93-W135 HydrophobicContact CZ-CZ2 3.96Å; F93-L139 HydrophobicContact CD1-CD1 3.86Å; F93-L139 HydrophobicContact CE1-CD1 3.29Å; F93-L139 HydrophobicContact CE2-CD1 4.32Å; F93-L139 HydrophobicContact CZ-CD1 3.55Å; F93-L139 HydrophobicContact CZ-CD2 4.33Å; F93-W146 HydrophobicContact CB-CH2 4.19Å; F93-W146 HydrophobicContact CB-CZ3 4.33Å; F93-W146 HydrophobicContact CD1-CZ3 4.23Å |
| 94 | D | 91.3 | Very high | 88.1 | Confident | 59 Ų | 59 | 55.1 Ų | 55.1 | 32% | 0.316 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.3 | -34.2 | 168.4 | -179.8 | 52.7 | 0 | 0 | 0 | 111.9 | M90 S97 R98 | M90-D94 WeakPolarHBondContact O-CB 3.46Å; M90-D94 PolarHBondContact O-N 2.99Å; M90-D94 VanDerWaalsContact O-N 3.1Å; D94-S97 PolarHBondContact O-OG 2.76Å; D94-R98 VanDerWaalsContact O-CG 3.29Å; D94-R98 WeakPolarHBondContact O-CG 3.44Å; D94-R98 PolarHBondContact O-N 2.78Å; D94-R98 IonicContact OD1-CZ 3.19Å; D94-R98 IonicContact OD1-NE 3.82Å; D94-R98 PolarHBondContact OD1-NE 3Å; D94-R98 IonicContact OD1-NH2 3.26Å; D94-R98 IonicContact OD2-CZ 3.89Å; D94-R98 IonicContact OD2-NE 2.62Å; D94-R98 PolarHBondContact OD2-NE 3.03Å; D94-R98 IonicContact OD2-NH2 2.69Å; D94-R98 PolarHBondContact OD2-NH2 2.98Å |
| 95 | Y | 92.7 | Very high | 88.2 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 6% | 0.059 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 173.9 | 179.8 | -110 | 0 | 0 | 0 | 112.9 | F49 R60 L91 F92 F93 V108 | F49-Y95 HydrophobicContact CD1-CD1 4.21Å; F49-Y95 HydrophobicContact CD1-CG 4.09Å; R60-Y95 WeakPolarHBondContact CD-OH 3.44Å; R60-Y95 PolarHBondContact NH1-OH 3.11Å; L91-Y95 WeakPolarHBondContact O-CB 3.48Å; L91-Y95 PolarHBondContact O-N 2.89Å; F92-Y95 WeakPolarHBondContact O-CB 3.36Å; F92-Y95 PolarHBondContact O-N 3.31Å; F93-Y95 VanDerWaalsContact C-N 3.26Å; F93-Y95 PolarHBondContact O-N 2.87Å; Y95-V108 HydrophobicContact CD1-CG1 4.01Å; Y95-V108 HydrophobicContact CD1-CG2 4.38Å; Y95-V108 HydrophobicContact CE1-CB 4.37Å; Y95-V108 HydrophobicContact CE1-CG1 3.42Å; Y95-V108 VanDerWaalsContact CE1-CG1 3.42Å; Y95-V108 HydrophobicContact CE1-CG2 3.99Å |
| 96 | I | 92.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 176.5 | -62.6 | 176.9 | 0 | 0 | 0 | 111.2 | F92 F93 R98 G99 N106 V118 L143 W146 A148 | F92-I96 HydrophobicContact CD1-CD1 4.43Å; F92-I96 HydrophobicContact CE1-CD1 3.77Å; F92-I96 HydrophobicContact CE2-CD1 4.02Å; F92-I96 HydrophobicContact CE2-CG1 4.38Å; F92-I96 HydrophobicContact CZ-CD1 3.55Å; F92-I96 HydrophobicContact CZ-CG1 4.4Å; F92-I96 PolarHBondContact O-N 3.23Å; F92-I96 VanDerWaalsContact O-N 3.16Å; F93-I96 HydrophobicContact CD1-CD1 4.33Å; F93-I96 PolarHBondContact O-N 2.81Å; I96-R98 VanDerWaalsContact C-N 3.31Å; I96-R98 PolarHBondContact O-N 3.19Å; I96-G99 PolarHBondContact O-N 2.99Å; I96-N106 PolarHBondContact O-ND2 3.12Å; I96-N106 VanDerWaalsContact O-ND2 3.14Å; I96-V118 HydrophobicContact CD1-CG1 3.86Å; I96-V118 HydrophobicContact CG1-CG1 4.04Å; I96-L143 HydrophobicContact CG2-CD2 4.38Å; I96-W146 HydrophobicContact CB-CE3 4.24Å; I96-W146 HydrophobicContact CB-CZ3 4.42Å; I96-W146 HydrophobicContact CG2-CE3 3.74Å; I96-W146 HydrophobicContact CG2-CZ3 4.35Å; I96-A148 HydrophobicContact CG2-CB 4.06Å |
| 97 | S | 92.2 | Very high | 89.1 | Confident | 32 Ų | 32 | 50.6 Ų | 50.6 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -39.2 | -175.8 | 77.9 | 0 | 0 | 0 | 0 | 112.5 | F93 D94 G99 T100 W146 | F93-S97 WeakPolarHBondContact O-CB 3.37Å; F93-S97 PolarHBondContact O-N 3.12Å; D94-S97 PolarHBondContact O-OG 2.76Å; S97-G99 PolarHBondContact O-N 3.24Å; S97-T100 PolarHBondContact O-N 3.29Å; S97-T100 PolarHBondContact O-OG1 2.91Å; S97-W146 VanDerWaalsContact CB-CZ2 3.43Å |
| 98 | R | 90.2 | Very high | 89.2 | Confident | 139 Ų | 139 | 46.5 Ų | 46.5 | 53% | 0.525 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16 | 175.8 | -69.4 | 172 | -169.8 | -169.7 | 2.7 | 114 | S51 D94 I96 | S51-R98 PolarHBondContact OG-NH1 3.29Å; S51-R98 VanDerWaalsContact OG-NH1 3.1Å; D94-R98 VanDerWaalsContact O-CG 3.29Å; D94-R98 WeakPolarHBondContact O-CG 3.44Å; D94-R98 PolarHBondContact O-N 2.78Å; D94-R98 IonicContact OD1-CZ 3.19Å; D94-R98 IonicContact OD1-NE 3.82Å; D94-R98 PolarHBondContact OD1-NE 3Å; D94-R98 IonicContact OD1-NH2 3.26Å; D94-R98 IonicContact OD2-CZ 3.89Å; D94-R98 IonicContact OD2-NE 2.62Å; D94-R98 PolarHBondContact OD2-NE 3.03Å; D94-R98 IonicContact OD2-NH2 2.69Å; D94-R98 PolarHBondContact OD2-NH2 2.98Å; I96-R98 VanDerWaalsContact C-N 3.31Å; I96-R98 PolarHBondContact O-N 3.19Å |
| 99 | G | 89.7 | Confident | 89.2 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -4.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I96 S97 E101 N106 L107 | I96-G99 PolarHBondContact O-N 2.99Å; S97-G99 PolarHBondContact O-N 3.24Å; G99-E101 PolarHBondContact O-N 3.02Å; G99-N106 CarbonylContact O-C 3.56Å; G99-N106 WeakPolarHBondContact O-CA 3.39Å; G99-L107 PolarHBondContact O-N 2.95Å |
| 100 | T | 90.4 | Very high | 89.3 | Confident | 52 Ų | 52 | 48 Ų | 48 | 32% | 0.319 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -68.5 | 128.1 | -172 | -49.6 | 0 | 0 | 0 | 0 | 112.6 | S97 C145 W146 | S97-T100 PolarHBondContact O-N 3.29Å; S97-T100 PolarHBondContact O-OG1 2.91Å; T100-C145 WeakPolarHBondContact CG2-O 3.44Å; T100-W146 VanDerWaalsContact OG1-CA 3.23Å; T100-W146 WeakPolarHBondContact OG1-CA 3.5Å; T100-W146 VanDerWaalsContact OG1-CB 3.29Å; T100-W146 WeakPolarHBondContact OG1-CB 3.26Å |
| 101 | E | 87.2 | Confident | 89.1 | Confident | 66 Ų | 66 | 44.1 Ų | 44.1 | 31% | 0.308 | 23% | 0.229 | S | C | . | . | trans | -121.2 | 160.8 | 173.2 | -68.7 | -175.1 | 141.2 | 0 | 0 | 112.9 | G99 S103 T105 L107 H147 | G99-E101 PolarHBondContact O-N 3.02Å; E101-S103 VanDerWaalsContact C-N 3.28Å; E101-S103 PolarHBondContact O-N 3.15Å; E101-T105 PolarHBondContact N-O 3.18Å; E101-T105 PolarHBondContact OE2-OG1 3.15Å; E101-L107 VanDerWaalsContact CD-CD2 3.49Å; E101-L107 VanDerWaalsContact CD-CG 3.44Å; E101-L107 HydrophobicContact CG-CD1 4.06Å; E101-L107 HydrophobicContact CG-CD2 4.41Å; E101-L107 HydrophobicContact CG-CG 3.82Å; E101-L107 WeakPolarHBondContact OE1-CD1 3.35Å; E101-L107 VanDerWaalsContact OE1-CD2 3.26Å; E101-L107 WeakPolarHBondContact OE1-CD2 3.27Å; E101-L107 WeakPolarHBondContact OE1-CG 3.46Å; E101-H147 PolarHBondContact O-CE1 3.48Å; E101-H147 PolarHBondContact O-ND1 3.36Å | ||
| 102 | N | 81.9 | Confident | 88.6 | Confident | 164 Ų | 164 | 47 Ų | 47 | 88% | 0.877 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -16.4 | 179.1 | -68.4 | -17.9 | 0 | 0 | 0 | 114.1 | F104 | N102-F104 VanDerWaalsContact C-N 3.25Å; N102-F104 PolarHBondContact O-N 3.08Å |
| 103 | S | 82.6 | Confident | 88.1 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 27.6 | -177.8 | 39.2 | 0 | 0 | 0 | 0 | 114.5 | E101 T105 | E101-S103 VanDerWaalsContact C-N 3.28Å; E101-S103 PolarHBondContact O-N 3.15Å; S103-T105 PolarHBondContact O-N 3.5Å; S103-T105 VanDerWaalsContact O-N 3.15Å; S103-T105 PolarHBondContact OG-OG1 3.01Å |
| 104 | F | 88.1 | Confident | 87.9 | Confident | 43 Ų | 43 | 54.7 Ų | 54.7 | 19% | 0.189 | 28% | 0.278 | C | S | . | . | S | Bend | trans | 55.5 | 27.6 | -172.6 | -56.2 | -85.4 | 0 | 0 | 0 | 113 | N102 W149 N188 P199 | N102-F104 VanDerWaalsContact C-N 3.25Å; N102-F104 PolarHBondContact O-N 3.08Å; F104-W149 HydrophobicContact CB-CZ2 4.23Å; F104-W149 HydrophobicContact CD1-CZ2 4.4Å; F104-W149 PolarHBondContact O-NE1 3.41Å; F104-N188 HydrophobicContact CE1-CB 4.42Å; F104-N188 HydrophobicContact CZ-CB 3.79Å; F104-P199 HydrophobicContact CB-CB 4.43Å |
| 105 | T | 87.9 | Confident | 87.7 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | trans | -117.1 | 149.6 | -178.6 | 43.8 | 0 | 0 | 0 | 0 | 110.9 | E101 S103 P199 | E101-T105 PolarHBondContact N-O 3.18Å; E101-T105 PolarHBondContact OE2-OG1 3.15Å; S103-T105 PolarHBondContact O-N 3.5Å; S103-T105 VanDerWaalsContact O-N 3.15Å; S103-T105 PolarHBondContact OG-OG1 3.01Å; T105-P199 HydrophobicContact CG2-CG 4.13Å | ||
| 106 | N | 92.3 | Very high | 87.4 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.011 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -116.5 | 117.3 | 165.8 | -172.1 | -63.7 | 0 | 0 | 0 | 108.3 | I96 G99 V108 E109 N110 W146 | I96-N106 PolarHBondContact O-ND2 3.12Å; I96-N106 VanDerWaalsContact O-ND2 3.14Å; G99-N106 CarbonylContact O-C 3.56Å; G99-N106 WeakPolarHBondContact O-CA 3.39Å; N106-V108 PolarHBondContact O-N 3.34Å; N106-V108 VanDerWaalsContact OD1-CB 3.24Å; N106-V108 WeakPolarHBondContact OD1-CB 3.21Å; N106-V108 PolarHBondContact OD1-N 3.36Å; N106-E109 HydrophobicContact CB-CB 4.38Å; N106-E109 HydrophobicContact CB-CG 4.3Å; N106-E109 PolarHBondContact O-N 3.48Å; N106-E109 PolarHBondContact OD1-N 3.44Å; N106-N110 PolarHBondContact O-N 3.05Å; N106-N110 VanDerWaalsContact O-N 3.13Å; N106-W146 WeakPolarHBondContact CB-O 3.45Å; N106-W146 PolarHBondContact ND2-O 3.05Å |
| 107 | L | 89.5 | Confident | 87.3 | Confident | 87 Ų | 87 | 55.5 Ų | 55.5 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58 | -34 | -177.2 | -74.2 | 176.1 | 0 | 0 | 0 | 112.4 | G99 E101 E109 N110 I111 | G99-L107 PolarHBondContact O-N 2.95Å; E101-L107 VanDerWaalsContact CD-CD2 3.49Å; E101-L107 VanDerWaalsContact CD-CG 3.44Å; E101-L107 HydrophobicContact CG-CD1 4.06Å; E101-L107 HydrophobicContact CG-CD2 4.41Å; E101-L107 HydrophobicContact CG-CG 3.82Å; E101-L107 WeakPolarHBondContact OE1-CD1 3.35Å; E101-L107 VanDerWaalsContact OE1-CD2 3.26Å; E101-L107 WeakPolarHBondContact OE1-CD2 3.27Å; E101-L107 WeakPolarHBondContact OE1-CG 3.46Å; L107-E109 VanDerWaalsContact C-N 3.34Å; L107-E109 PolarHBondContact O-N 3.26Å; L107-N110 PolarHBondContact O-N 3.49Å; L107-N110 VanDerWaalsContact O-N 3.16Å; L107-I111 WeakPolarHBondContact O-CG1 3.33Å; L107-I111 PolarHBondContact O-N 3Å |
| 108 | V | 89.2 | Confident | 87.3 | Confident | 9 Ų | 9 | 54 Ų | 54 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.8 | -39 | 178.6 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | Y95 N106 N110 I111 V118 | Y95-V108 HydrophobicContact CD1-CG1 4.01Å; Y95-V108 HydrophobicContact CD1-CG2 4.38Å; Y95-V108 HydrophobicContact CE1-CB 4.37Å; Y95-V108 HydrophobicContact CE1-CG1 3.42Å; Y95-V108 VanDerWaalsContact CE1-CG1 3.42Å; Y95-V108 HydrophobicContact CE1-CG2 3.99Å; N106-V108 PolarHBondContact O-N 3.34Å; N106-V108 VanDerWaalsContact OD1-CB 3.24Å; N106-V108 WeakPolarHBondContact OD1-CB 3.21Å; N106-V108 PolarHBondContact OD1-N 3.36Å; V108-N110 VanDerWaalsContact C-N 3.27Å; V108-N110 PolarHBondContact O-N 2.87Å; V108-I111 PolarHBondContact O-N 3.47Å; V108-V118 HydrophobicContact CG1-CG1 4.24Å; V108-V118 HydrophobicContact CG1-CG2 3.81Å |
| 109 | E | 89 | Confident | 87.3 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.028 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -76.3 | -14.6 | 175.2 | -66.2 | -158.1 | 164.4 | 0 | 0 | 113.9 | N106 L107 S115 A148 W149 S150 S151 | N106-E109 HydrophobicContact CB-CB 4.38Å; N106-E109 HydrophobicContact CB-CG 4.3Å; N106-E109 PolarHBondContact O-N 3.48Å; N106-E109 PolarHBondContact OD1-N 3.44Å; L107-E109 VanDerWaalsContact C-N 3.34Å; L107-E109 PolarHBondContact O-N 3.26Å; E109-S115 WeakPolarHBondContact O-CB 3.28Å; E109-S115 PolarHBondContact O-OG 2.97Å; E109-A148 WeakPolarHBondContact OE1-CA 3.06Å; E109-W149 PolarHBondContact OE2-N 2.8Å; E109-S150 PolarHBondContact OE1-N 2.64Å; E109-S150 VanDerWaalsContact OE2-CB 3.23Å; E109-S150 WeakPolarHBondContact OE2-CB 3.41Å; E109-S150 PolarHBondContact OE2-N 3.04Å; E109-S150 PolarHBondContact OE2-OG 3.17Å; E109-S151 WeakPolarHBondContact OE1-CA 3.46Å; E109-S151 WeakPolarHBondContact OE1-CB 3.39Å; E109-S151 PolarHBondContact OE1-N 3.01Å; E109-S151 PolarHBondContact OE1-OG 3.34Å |
| 110 | N | 86.4 | Confident | 87.3 | Confident | 63 Ų | 63 | 50.5 Ų | 50.5 | 34% | 0.337 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -87.7 | -15.9 | 176.2 | -73.6 | -14.1 | 0 | 0 | 0 | 112.5 | N106 L107 V108 P112 K202 | N106-N110 PolarHBondContact O-N 3.05Å; N106-N110 VanDerWaalsContact O-N 3.13Å; L107-N110 PolarHBondContact O-N 3.49Å; L107-N110 VanDerWaalsContact O-N 3.16Å; V108-N110 VanDerWaalsContact C-N 3.27Å; V108-N110 PolarHBondContact O-N 2.87Å; N110-P112 WeakPolarHBondContact O-CD 3.48Å; N110-K202 PolarHBondContact OD1-NZ 3.4Å |
| 111 | I | 85.1 | Confident | 87.4 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -68.5 | 118.2 | 175 | -58.2 | 162.6 | 0 | 0 | 0 | 109.1 | T57 L107 V108 I114 S115 | T57-I111 HydrophobicContact CG2-CG2 4.07Å; L107-I111 WeakPolarHBondContact O-CG1 3.33Å; L107-I111 PolarHBondContact O-N 3Å; V108-I111 PolarHBondContact O-N 3.47Å; I111-I114 HydrophobicContact CB-CB 4.1Å; I111-I114 HydrophobicContact CB-CD1 4.41Å; I111-I114 HydrophobicContact CG2-CB 4.02Å; I111-I114 HydrophobicContact CG2-CD1 3.66Å; I111-I114 HydrophobicContact CG2-CG1 4.19Å; I111-I114 PolarHBondContact O-N 3.07Å; I111-S115 PolarHBondContact O-N 3.45Å |
| 112 | P | 80 | Confident | 87.6 | Confident | 104 Ų | 104 | 45.1 Ų | 45.1 | 68% | 0.675 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 147.2 | 177.4 | -24 | 34.9 | 0 | 0 | 0 | 111.4 | N110 I114 | N110-P112 WeakPolarHBondContact O-CD 3.48Å; P112-I114 PolarHBondContact O-N 3.5Å |
| 113 | R | 81.5 | Confident | 88 | Confident | 185 Ų | 185 | 38.2 Ų | 38.2 | 70% | 0.698 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | -38.1 | -174.7 | -55.6 | 179.6 | 173.7 | 178.4 | -2.3 | 115.8 | F61 | F61-R113 HydrophobicContact CD2-CB 4.07Å; F61-R113 HydrophobicContact CE2-CB 4.01Å |
| 114 | I | 86.9 | Confident | 88.3 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.2 | -40.1 | 177 | -72.9 | 168.7 | 0 | 0 | 0 | 110.9 | T57 F61 L64 I111 P112 G116 L117 V118 | T57-I114 HydrophobicContact CG2-CD1 3.75Å; F61-I114 HydrophobicContact CB-CG1 4.5Å; L64-I114 HydrophobicContact CD1-CG1 4.45Å; L64-I114 HydrophobicContact CD1-CG2 4.18Å; I111-I114 HydrophobicContact CB-CB 4.1Å; I111-I114 HydrophobicContact CB-CD1 4.41Å; I111-I114 HydrophobicContact CG2-CB 4.02Å; I111-I114 HydrophobicContact CG2-CD1 3.66Å; I111-I114 HydrophobicContact CG2-CG1 4.19Å; I111-I114 PolarHBondContact O-N 3.07Å; P112-I114 PolarHBondContact O-N 3.5Å; I114-G116 VanDerWaalsContact C-N 3.3Å; I114-G116 PolarHBondContact O-N 3.19Å; I114-L117 PolarHBondContact O-N 2.9Å; I114-V118 HydrophobicContact CG2-CG2 3.63Å; I114-V118 WeakPolarHBondContact O-CG2 3.15Å; I114-V118 PolarHBondContact O-N 3.42Å |
| 115 | S | 86.9 | Confident | 88.3 | Confident | 26 Ų | 26 | 37.6 Ų | 37.6 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -46.1 | -48.7 | 178.6 | -175.2 | 0 | 0 | 0 | 0 | 114 | E109 I111 V118 A119 | E109-S115 WeakPolarHBondContact O-CB 3.28Å; E109-S115 PolarHBondContact O-OG 2.97Å; I111-S115 PolarHBondContact O-N 3.45Å; S115-V118 PolarHBondContact O-N 2.92Å; S115-A119 WeakPolarHBondContact O-CB 3.33Å; S115-A119 PolarHBondContact O-N 3.28Å |
| 116 | G | 86.7 | Confident | 88.3 | Confident | 50 Ų | 50 | 36.8 Ų | 36.8 | 52% | 0.515 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.4 | -41 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | I114 E120 | I114-G116 VanDerWaalsContact C-N 3.3Å; I114-G116 PolarHBondContact O-N 3.19Å; G116-E120 WeakPolarHBondContact O-CB 3.05Å; G116-E120 PolarHBondContact O-N 3.34Å |
| 117 | L | 89.1 | Confident | 88 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.3 | -36.7 | 177.2 | -76.2 | 178.8 | 0 | 0 | 0 | 112.4 | F61 L64 I65 I114 E120 L121 | F61-L117 HydrophobicContact CD2-CD1 3.39Å; F61-L117 HydrophobicContact CD2-CG 4.45Å; F61-L117 HydrophobicContact CE2-CD1 3.29Å; F61-L117 HydrophobicContact CE2-CG 4.03Å; F61-L117 HydrophobicContact CG-CD1 4.32Å; F61-L117 HydrophobicContact CZ-CD1 4.16Å; L64-L117 HydrophobicContact CB-CD1 4.16Å; I65-L117 HydrophobicContact CG1-CD1 3.87Å; I65-L117 HydrophobicContact CG1-CD2 4.41Å; I114-L117 PolarHBondContact O-N 2.9Å; L117-E120 PolarHBondContact O-N 2.93Å; L117-L121 WeakPolarHBondContact O-CB 3.01Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.47Å; L117-L121 PolarHBondContact O-N 2.98Å |
| 118 | V | 91.8 | Very high | 87.7 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.8 | -43.7 | 176.7 | 174 | 0 | 0 | 0 | 0 | 110.4 | F92 I96 V108 I114 S115 E120 L121 T122 | F92-V118 HydrophobicContact CE2-CG1 4.3Å; F92-V118 HydrophobicContact CZ-CG1 4.27Å; I96-V118 HydrophobicContact CD1-CG1 3.86Å; I96-V118 HydrophobicContact CG1-CG1 4.04Å; V108-V118 HydrophobicContact CG1-CG1 4.24Å; V108-V118 HydrophobicContact CG1-CG2 3.81Å; I114-V118 HydrophobicContact CG2-CG2 3.63Å; I114-V118 WeakPolarHBondContact O-CG2 3.15Å; I114-V118 PolarHBondContact O-N 3.42Å; S115-V118 PolarHBondContact O-N 2.92Å; V118-E120 VanDerWaalsContact C-N 3.34Å; V118-E120 PolarHBondContact O-N 3.47Å; V118-L121 PolarHBondContact O-N 3Å; V118-T122 WeakPolarHBondContact O-CB 3.46Å; V118-T122 PolarHBondContact O-N 3.4Å; V118-T122 PolarHBondContact O-OG1 3.36Å |
| 119 | A | 90.9 | Very high | 87.2 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 5% | 0.05 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.8 | -37.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S115 A123 S154 | S115-A119 WeakPolarHBondContact O-CB 3.33Å; S115-A119 PolarHBondContact O-N 3.28Å; A119-A123 WeakPolarHBondContact O-CB 3.46Å; A119-A123 PolarHBondContact O-N 2.95Å; A119-S154 WeakPolarHBondContact O-CB 3.35Å |
| 120 | E | 90.8 | Very high | 86.9 | Confident | 64 Ų | 64 | 43 Ų | 43 | 30% | 0.299 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.1 | -46.3 | 174.8 | -169.1 | -168.6 | 163.9 | 0 | 0 | 112.1 | K68 G116 L117 V118 T122 A123 R124 | K68-E120 WeakPolarHBondContact CD-OE1 3.35Å; K68-E120 IonicContact NZ-OE1 3.97Å; K68-E120 PolarHBondContact NZ-OE1 2.92Å; K68-E120 IonicContact NZ-OE2 3.3Å; K68-E120 PolarHBondContact NZ-OE2 3.37Å; G116-E120 WeakPolarHBondContact O-CB 3.05Å; G116-E120 PolarHBondContact O-N 3.34Å; L117-E120 PolarHBondContact O-N 2.93Å; V118-E120 VanDerWaalsContact C-N 3.34Å; V118-E120 PolarHBondContact O-N 3.47Å; E120-T122 VanDerWaalsContact C-N 3.33Å; E120-T122 PolarHBondContact O-N 3.42Å; E120-A123 WeakPolarHBondContact O-CB 3.29Å; E120-A123 PolarHBondContact O-N 3.48Å; E120-R124 WeakPolarHBondContact O-CG 3.14Å; E120-R124 PolarHBondContact O-N 3.06Å; E120-R124 IonicContact OE1-CZ 2.79Å; E120-R124 VanDerWaalsContact OE1-CZ 3.29Å; E120-R124 IonicContact OE1-NE 3.05Å; E120-R124 PolarHBondContact OE1-NE 3.2Å; E120-R124 VanDerWaalsContact OE1-NE 3.15Å; E120-R124 IonicContact OE1-NH2 3.32Å; E120-R124 PolarHBondContact OE1-NH2 2.79Å |
| 121 | L | 91.2 | Very high | 86.3 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 176.8 | -77.7 | 170.5 | 0 | 0 | 0 | 110.6 | L64 K68 F72 F92 L117 V118 A123 R124 Y125 | L64-L121 HydrophobicContact CD2-CD1 3.84Å; K68-L121 HydrophobicContact CB-CD2 3.9Å; K68-L121 HydrophobicContact CG-CD2 3.98Å; F72-L121 HydrophobicContact CD2-CD2 4.32Å; F72-L121 HydrophobicContact CE2-CD2 3.74Å; F92-L121 HydrophobicContact CD2-CD1 4.32Å; F92-L121 HydrophobicContact CE1-CB 4.24Å; F92-L121 HydrophobicContact CE2-CB 3.88Å; F92-L121 HydrophobicContact CE2-CD1 3.83Å; F92-L121 HydrophobicContact CZ-CB 3.58Å; F92-L121 HydrophobicContact CZ-CD1 4.4Å; L117-L121 WeakPolarHBondContact O-CB 3.01Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.47Å; L117-L121 PolarHBondContact O-N 2.98Å; V118-L121 PolarHBondContact O-N 3Å; L121-A123 PolarHBondContact O-N 3.38Å; L121-R124 PolarHBondContact O-N 2.81Å; L121-R124 VanDerWaalsContact O-N 3.16Å; L121-Y125 WeakPolarHBondContact O-CD2 3.44Å; L121-Y125 PolarHBondContact O-N 3.01Å |
| 122 | T | 92.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.6 | -47.8 | 174.4 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | V118 E120 R124 Y125 V126 L143 | V118-T122 WeakPolarHBondContact O-CB 3.46Å; V118-T122 PolarHBondContact O-N 3.4Å; V118-T122 PolarHBondContact O-OG1 3.36Å; E120-T122 VanDerWaalsContact C-N 3.33Å; E120-T122 PolarHBondContact O-N 3.42Å; T122-R124 VanDerWaalsContact C-N 3.33Å; T122-R124 PolarHBondContact O-N 3.48Å; T122-Y125 PolarHBondContact O-N 2.81Å; T122-V126 WeakPolarHBondContact O-CG2 3.39Å; T122-V126 PolarHBondContact O-N 3.15Å; T122-L143 HydrophobicContact CG2-CD1 3.96Å |
| 123 | A | 90.7 | Very high | 84.4 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 17% | 0.165 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A119 E120 L121 K127 A158 | A119-A123 WeakPolarHBondContact O-CB 3.46Å; A119-A123 PolarHBondContact O-N 2.95Å; E120-A123 WeakPolarHBondContact O-CB 3.29Å; E120-A123 PolarHBondContact O-N 3.48Å; L121-A123 PolarHBondContact O-N 3.38Å; A123-K127 VanDerWaalsContact O-CB 3.31Å; A123-K127 WeakPolarHBondContact O-CB 3.45Å; A123-K127 PolarHBondContact O-N 2.88Å; A123-A158 HydrophobicContact CB-CB 3.91Å; A123-A158 WeakPolarHBondContact O-CB 3.17Å |
| 124 | R | 88.6 | Confident | 83.1 | Confident | 73 Ų | 73 | 46.5 Ų | 46.5 | 28% | 0.275 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.4 | -41.7 | 177 | -72.4 | -172.7 | -174.9 | -150.3 | 1 | 112.6 | F72 E120 L121 T122 K127 N128 | F72-R124 HydrophobicContact CD1-CB 4.32Å; F72-R124 HydrophobicContact CD2-CB 4.07Å; F72-R124 HydrophobicContact CE1-CB 4.14Å; F72-R124 HydrophobicContact CE2-CB 3.9Å; F72-R124 HydrophobicContact CG-CB 4.26Å; F72-R124 HydrophobicContact CZ-CB 3.91Å; E120-R124 WeakPolarHBondContact O-CG 3.14Å; E120-R124 PolarHBondContact O-N 3.06Å; E120-R124 IonicContact OE1-CZ 2.79Å; E120-R124 VanDerWaalsContact OE1-CZ 3.29Å; E120-R124 IonicContact OE1-NE 3.05Å; E120-R124 PolarHBondContact OE1-NE 3.2Å; E120-R124 VanDerWaalsContact OE1-NE 3.15Å; E120-R124 IonicContact OE1-NH2 3.32Å; E120-R124 PolarHBondContact OE1-NH2 2.79Å; L121-R124 PolarHBondContact O-N 2.81Å; L121-R124 VanDerWaalsContact O-N 3.16Å; T122-R124 VanDerWaalsContact C-N 3.33Å; T122-R124 PolarHBondContact O-N 3.48Å; R124-K127 PolarHBondContact O-N 2.69Å; R124-N128 WeakPolarHBondContact O-CB 3.24Å; R124-N128 PolarHBondContact O-N 3.29Å; R124-N128 PolarHBondContact O-ND2 3.13Å |
| 125 | Y | 88.3 | Confident | 82 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 173.7 | -82 | -66.2 | 0 | 0 | 0 | 110.9 | F72 E89 F92 L121 T122 K127 N128 E129 | F72-Y125 HydrophobicContact CE1-CD1 4.22Å; F72-Y125 HydrophobicContact CE1-CE1 4.3Å; F72-Y125 HydrophobicContact CE2-CE2 4.32Å; F72-Y125 AromaticContact CZ-CD1 3.77Å; F72-Y125 HydrophobicContact CZ-CD1 3.77Å; F72-Y125 AromaticContact CZ-CD2 3.95Å; F72-Y125 HydrophobicContact CZ-CD2 3.95Å; F72-Y125 AromaticContact CZ-CE1 3.72Å; F72-Y125 HydrophobicContact CZ-CE1 3.72Å; F72-Y125 AromaticContact CZ-CE2 3.91Å; F72-Y125 HydrophobicContact CZ-CE2 3.91Å; F72-Y125 AromaticContact CZ-CG 3.87Å; F72-Y125 HydrophobicContact CZ-CG 3.87Å; F72-Y125 AromaticContact CZ-CZ 3.79Å; E89-Y125 HydrophobicContact CB-CE1 3.93Å; E89-Y125 HydrophobicContact CG-CD1 4.15Å; E89-Y125 HydrophobicContact CG-CE1 3.87Å; F92-Y125 HydrophobicContact CB-CE2 4.4Å; F92-Y125 AromaticContact CD1-CD2 3.76Å; F92-Y125 HydrophobicContact CD1-CD2 3.76Å; F92-Y125 AromaticContact CD1-CE2 3.54Å; F92-Y125 HydrophobicContact CD1-CE2 3.54Å; F92-Y125 AromaticContact CE1-CD2 3.8Å; F92-Y125 HydrophobicContact CE1-CD2 3.8Å; F92-Y125 AromaticContact CE1-CE2 3.97Å; F92-Y125 HydrophobicContact CE1-CE2 3.97Å; F92-Y125 HydrophobicContact CG-CE2 4.03Å; L121-Y125 WeakPolarHBondContact O-CD2 3.44Å; L121-Y125 PolarHBondContact O-N 3.01Å; T122-Y125 PolarHBondContact O-N 2.81Å; Y125-K127 VanDerWaalsContact C-N 3.32Å; Y125-K127 PolarHBondContact O-N 2.9Å; Y125-N128 PolarHBondContact O-N 3.2Å; Y125-E129 PolarHBondContact O-N 3.27Å |
| 126 | V | 87.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 174.7 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | T122 N128 W130 W135 L139 W140 A158 A159 | T122-V126 WeakPolarHBondContact O-CG2 3.39Å; T122-V126 PolarHBondContact O-N 3.15Å; V126-N128 VanDerWaalsContact C-N 3.31Å; V126-N128 PolarHBondContact O-N 3.2Å; V126-W130 HydrophobicContact CG1-CB 4.26Å; V126-W130 HydrophobicContact CG1-CE3 4.42Å; V126-W130 WeakPolarHBondContact O-CB 3.4Å; V126-W130 PolarHBondContact O-N 2.84Å; V126-W135 HydrophobicContact CG2-CH2 4.37Å; V126-W135 HydrophobicContact CG2-CZ3 4.16Å; V126-L139 HydrophobicContact CG2-CD2 4.16Å; V126-W140 HydrophobicContact CG1-CH2 3.98Å; V126-W140 HydrophobicContact CG1-CZ2 4.24Å; V126-W140 HydrophobicContact CG2-CH2 3.85Å; V126-W140 HydrophobicContact CG2-CZ2 4.35Å; V126-W140 HydrophobicContact CG2-CZ3 4.49Å; V126-A158 HydrophobicContact CB-CB 4.47Å; V126-A158 HydrophobicContact CG1-CB 4.31Å; V126-A159 HydrophobicContact CG1-CB 3.93Å |
| 127 | K | 85.5 | Confident | 79.9 | Confident | 128 Ų | 128 | 52.2 Ų | 52.2 | 56% | 0.557 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63 | -37.3 | 179.4 | -172.4 | 174 | 179.4 | 179 | 0 | 112.6 | A123 R124 Y125 F162 | A123-K127 VanDerWaalsContact O-CB 3.31Å; A123-K127 WeakPolarHBondContact O-CB 3.45Å; A123-K127 PolarHBondContact O-N 2.88Å; R124-K127 PolarHBondContact O-N 2.69Å; Y125-K127 VanDerWaalsContact C-N 3.32Å; Y125-K127 PolarHBondContact O-N 2.9Å; K127-F162 WeakPolarHBondContact O-CZ 3.28Å |
| 128 | N | 82.3 | Confident | 79.5 | Confident | 41 Ų | 41 | 54.1 Ų | 54.1 | 22% | 0.219 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -94.2 | -37.5 | -171.3 | -71.7 | -32.6 | 0 | 0 | 0 | 114.3 | F72 R124 Y125 V126 K132 | F72-N128 WeakPolarHBondContact CD1-ND2 3.22Å; F72-N128 WeakPolarHBondContact CE1-ND2 3.3Å; R124-N128 WeakPolarHBondContact O-CB 3.24Å; R124-N128 PolarHBondContact O-N 3.29Å; R124-N128 PolarHBondContact O-ND2 3.13Å; Y125-N128 PolarHBondContact O-N 3.2Å; V126-N128 VanDerWaalsContact C-N 3.31Å; V126-N128 PolarHBondContact O-N 3.2Å; N128-K132 VanDerWaalsContact O-CD 3.26Å; N128-K132 WeakPolarHBondContact O-CD 3.28Å; N128-K132 WeakPolarHBondContact O-CE 3.25Å; N128-K132 PolarHBondContact O-NZ 3.35Å |
| 129 | E | 80.4 | Confident | 79.3 | Confident | 64 Ų | 64 | 54.6 Ų | 54.6 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -114.5 | -22.7 | -168.1 | -57.4 | -50.6 | 137.6 | 0 | 0 | 114.3 | Y125 L131 K132 W135 | Y125-E129 PolarHBondContact O-N 3.27Å; E129-L131 PolarHBondContact O-N 2.93Å; E129-K132 WeakPolarHBondContact O-CB 3.28Å; E129-K132 PolarHBondContact O-N 3.18Å; E129-W135 HydrophobicContact CB-CD2 4.03Å; E129-W135 HydrophobicContact CB-CE3 4.47Å; E129-W135 HydrophobicContact CB-CG 4.34Å; E129-W135 HydrophobicContact CB-CZ2 4.25Å |
| 130 | W | 80.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 128.1 | -179.3 | -170.3 | 54.1 | 0 | 0 | 0 | 111.9 | V126 W135 W140 A159 F162 A170 F171 | V126-W130 HydrophobicContact CG1-CB 4.26Å; V126-W130 HydrophobicContact CG1-CE3 4.42Å; V126-W130 WeakPolarHBondContact O-CB 3.4Å; V126-W130 PolarHBondContact O-N 2.84Å; W130-W135 HydrophobicContact CB-CE3 3.63Å; W130-W135 HydrophobicContact CB-CZ3 3.76Å; W130-W135 AromaticContact CD1-CE3 3.88Å; W130-W135 HydrophobicContact CG-CE3 4.15Å; W130-W135 HydrophobicContact CG-CZ3 4.38Å; W130-W140 HydrophobicContact CD2-CZ2 4.27Å; W130-W140 AromaticContact CE2-CZ2 3.99Å; W130-W140 AromaticContact CE2-NE1 3.75Å; W130-W140 HydrophobicContact CZ2-CZ2 4.24Å; W130-W140 AromaticContact CZ2-NE1 3.94Å; W130-W140 AromaticContact NE1-NE1 3.43Å; W130-A159 HydrophobicContact CE3-CB 4.11Å; W130-A159 HydrophobicContact CH2-CB 4.22Å; W130-A159 HydrophobicContact CZ3-CB 3.7Å; W130-F162 HydrophobicContact CE3-CD2 4.03Å; W130-F162 AromaticContact CE3-CE2 3.72Å; W130-F162 HydrophobicContact CE3-CE2 3.72Å; W130-F162 AromaticContact CZ3-CD2 3.99Å; W130-F162 HydrophobicContact CZ3-CD2 3.99Å; W130-F162 HydrophobicContact CZ3-CE2 4.15Å; W130-A170 HydrophobicContact CH2-CB 4.28Å; W130-A170 HydrophobicContact CZ2-CB 4.41Å; W130-F171 HydrophobicContact CH2-CB 3.99Å |
| 131 | L | 75.1 | Confident | 79.2 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 42% | 0.424 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 14.7 | -173.1 | -50.3 | 167.7 | 0 | 0 | 0 | 116 | E129 R167 A170 | E129-L131 PolarHBondContact O-N 2.93Å; L131-R167 HydrophobicContact CD1-CB 4.15Å; L131-R167 HydrophobicContact CD1-CG 3.66Å; L131-A170 HydrophobicContact CD1-CB 4.3Å; L131-A170 HydrophobicContact CD2-CB 4.39Å |
| 132 | K | 74.4 | Confident | 79.2 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 41% | 0.413 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -104.4 | 155.1 | 170.4 | -63.2 | -175.4 | -177.8 | 167.6 | 0 | 112 | N128 E129 D134 W135 | N128-K132 VanDerWaalsContact O-CD 3.26Å; N128-K132 WeakPolarHBondContact O-CD 3.28Å; N128-K132 WeakPolarHBondContact O-CE 3.25Å; N128-K132 PolarHBondContact O-NZ 3.35Å; E129-K132 WeakPolarHBondContact O-CB 3.28Å; E129-K132 PolarHBondContact O-N 3.18Å; K132-D134 PolarHBondContact O-N 3.09Å; K132-W135 PolarHBondContact O-N 3.22Å |
| 133 | N | 51.5 | Low | 79.3 | Confident | 146 Ų | 146 | 56.6 Ų | 56.6 | 78% | 0.781 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -7.5 | 78.9 | 177.8 | -65.7 | -6.1 | 0 | 0 | 0 | 115.8 | ||
| 134 | D | 52.7 | Low | 79.3 | Confident | 152 Ų | 152 | 56.6 Ų | 56.6 | 81% | 0.813 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | 12 | 172.1 | -49.3 | -41.2 | 0 | 0 | 0 | 119.6 | K132 S136 | K132-D134 PolarHBondContact O-N 3.09Å; D134-S136 PolarHBondContact O-N 3.19Å |
| 135 | W | 63.3 | Low | 79.5 | Confident | 44 Ų | 44 | 56.9 Ų | 56.9 | 17% | 0.167 | 30% | 0.302 | C | S | . | . | trans | -76 | 114.8 | 171.4 | -121.6 | 48 | 0 | 0 | 0 | 112.6 | E89 F93 V126 E129 W130 K132 L139 | E89-W135 VanDerWaalsContact CD-NE1 3.34Å; E89-W135 PolarHBondContact OE1-NE1 3.39Å; F93-W135 AromaticContact CE2-CZ2 3.84Å; F93-W135 HydrophobicContact CE2-CZ2 3.84Å; F93-W135 HydrophobicContact CZ-CH2 4.19Å; F93-W135 AromaticContact CZ-CZ2 3.96Å; F93-W135 HydrophobicContact CZ-CZ2 3.96Å; V126-W135 HydrophobicContact CG2-CH2 4.37Å; V126-W135 HydrophobicContact CG2-CZ3 4.16Å; E129-W135 HydrophobicContact CB-CD2 4.03Å; E129-W135 HydrophobicContact CB-CE3 4.47Å; E129-W135 HydrophobicContact CB-CG 4.34Å; E129-W135 HydrophobicContact CB-CZ2 4.25Å; W130-W135 HydrophobicContact CB-CE3 3.63Å; W130-W135 HydrophobicContact CB-CZ3 3.76Å; W130-W135 AromaticContact CD1-CE3 3.88Å; W130-W135 HydrophobicContact CG-CE3 4.15Å; W130-W135 HydrophobicContact CG-CZ3 4.38Å; K132-W135 PolarHBondContact O-N 3.22Å; W135-L139 HydrophobicContact CE3-CD2 4.15Å; W135-L139 HydrophobicContact CH2-CD2 3.42Å; W135-L139 VanDerWaalsContact CH2-CD2 3.42Å; W135-L139 HydrophobicContact CZ2-CD2 4.23Å; W135-L139 HydrophobicContact CZ3-CD2 3.36Å | ||
| 136 | S | 61 | Low | 79.8 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | trans | -96 | 155.9 | -174.2 | 87.4 | 0 | 0 | 0 | 0 | 114.3 | D134 S138 L139 | D134-S136 PolarHBondContact O-N 3.19Å; S136-S138 PolarHBondContact O-N 2.96Å; S136-S138 WeakPolarHBondContact OG-CB 3.36Å; S136-S138 PolarHBondContact OG-N 3.36Å; S136-S138 PolarHBondContact OG-OG 3.44Å; S136-L139 PolarHBondContact O-N 3.25Å | ||
| 137 | D | 69.6 | Low | 80 | Confident | 87 Ų | 87 | 60 Ų | 60 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -7.3 | 176.1 | -73.6 | -31.7 | 0 | 0 | 0 | 114.5 | L139 W140 | D137-L139 PolarHBondContact O-N 3.27Å; D137-L139 VanDerWaalsContact O-N 3.15Å; D137-W140 PolarHBondContact O-N 3.41Å |
| 138 | S | 80.9 | Confident | 80.4 | Confident | 56 Ų | 56 | 54 Ų | 54 | 39% | 0.392 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.1 | -23.4 | 177.3 | 71.7 | 0 | 0 | 0 | 0 | 113.4 | S136 W140 D141 N142 | S136-S138 PolarHBondContact O-N 2.96Å; S136-S138 WeakPolarHBondContact OG-CB 3.36Å; S136-S138 PolarHBondContact OG-N 3.36Å; S136-S138 PolarHBondContact OG-OG 3.44Å; S138-W140 VanDerWaalsContact C-N 3.33Å; S138-W140 PolarHBondContact O-N 2.83Å; S138-D141 PolarHBondContact O-N 3.29Å; S138-N142 VanDerWaalsContact O-CB 3.27Å; S138-N142 WeakPolarHBondContact O-CB 3.29Å; S138-N142 PolarHBondContact O-N 2.85Å; S138-N142 PolarHBondContact O-ND2 3.21Å |
| 139 | L | 86.7 | Confident | 81 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.5 | -44.8 | 179.1 | 173.5 | 63.5 | 0 | 0 | 0 | 112.3 | F93 V126 W135 S136 D137 N142 L143 | F93-L139 HydrophobicContact CD1-CD1 3.86Å; F93-L139 HydrophobicContact CE1-CD1 3.29Å; F93-L139 HydrophobicContact CE2-CD1 4.32Å; F93-L139 HydrophobicContact CZ-CD1 3.55Å; F93-L139 HydrophobicContact CZ-CD2 4.33Å; V126-L139 HydrophobicContact CG2-CD2 4.16Å; W135-L139 HydrophobicContact CE3-CD2 4.15Å; W135-L139 HydrophobicContact CH2-CD2 3.42Å; W135-L139 VanDerWaalsContact CH2-CD2 3.42Å; W135-L139 HydrophobicContact CZ2-CD2 4.23Å; W135-L139 HydrophobicContact CZ3-CD2 3.36Å; S136-L139 PolarHBondContact O-N 3.25Å; D137-L139 PolarHBondContact O-N 3.27Å; D137-L139 VanDerWaalsContact O-N 3.15Å; L139-N142 PolarHBondContact O-N 3.45Å; L139-L143 HydrophobicContact CD1-CD1 4.03Å; L139-L143 HydrophobicContact CD1-CG 4.04Å; L139-L143 HydrophobicContact CG-CD1 4.13Å; L139-L143 HydrophobicContact CG-CG 4.5Å; L139-L143 WeakPolarHBondContact O-CG 3.45Å; L139-L143 PolarHBondContact O-N 2.86Å |
| 140 | W | 90.5 | Very high | 81.5 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 1% | 0.011 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.9 | -43.9 | -175.3 | -58.3 | 114.8 | 0 | 0 | 0 | 111.5 | V126 W130 D137 S138 N142 L143 L144 L152 L156 A159 T174 L178 | V126-W140 HydrophobicContact CG1-CH2 3.98Å; V126-W140 HydrophobicContact CG1-CZ2 4.24Å; V126-W140 HydrophobicContact CG2-CH2 3.85Å; V126-W140 HydrophobicContact CG2-CZ2 4.35Å; V126-W140 HydrophobicContact CG2-CZ3 4.49Å; W130-W140 HydrophobicContact CD2-CZ2 4.27Å; W130-W140 AromaticContact CE2-CZ2 3.99Å; W130-W140 AromaticContact CE2-NE1 3.75Å; W130-W140 HydrophobicContact CZ2-CZ2 4.24Å; W130-W140 AromaticContact CZ2-NE1 3.94Å; W130-W140 AromaticContact NE1-NE1 3.43Å; D137-W140 PolarHBondContact O-N 3.41Å; S138-W140 VanDerWaalsContact C-N 3.33Å; S138-W140 PolarHBondContact O-N 2.83Å; W140-N142 VanDerWaalsContact C-N 3.31Å; W140-N142 PolarHBondContact O-N 2.81Å; W140-L143 PolarHBondContact O-N 2.94Å; W140-L144 WeakPolarHBondContact O-CB 3.38Å; W140-L144 PolarHBondContact O-N 2.99Å; W140-L144 VanDerWaalsContact O-N 3.08Å; W140-L152 HydrophobicContact CE3-CD1 3.75Å; W140-L152 HydrophobicContact CZ3-CD1 4.2Å; W140-L156 HydrophobicContact CE3-CD2 4.05Å; W140-L156 HydrophobicContact CH2-CD2 4.14Å; W140-L156 HydrophobicContact CZ3-CD2 3.74Å; W140-L156 HydrophobicContact CZ3-CG 4.18Å; W140-A159 HydrophobicContact CH2-CB 4.15Å; W140-A159 HydrophobicContact CZ2-CB 4.28Å; W140-T174 HydrophobicContact CB-CG2 4.13Å; W140-T174 HydrophobicContact CD2-CG2 3.8Å; W140-T174 HydrophobicContact CG-CG2 3.51Å; W140-L178 HydrophobicContact CB-CD1 4.12Å; W140-L178 HydrophobicContact CB-CD2 4.11Å; W140-L178 HydrophobicContact CB-CG 4.46Å |
| 141 | D | 89.6 | Confident | 82.2 | Confident | 51 Ų | 51 | 50.4 Ų | 50.4 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 175.7 | -64.2 | -34.6 | 0 | 0 | 0 | 110.6 | S138 L144 C145 K177 | S138-D141 PolarHBondContact O-N 3.29Å; D141-L144 PolarHBondContact O-N 3.16Å; D141-C145 WeakPolarHBondContact O-CB 3.48Å; D141-C145 PolarHBondContact O-N 3.32Å; D141-C145 PolarHBondContact O-SG 3.08Å; D141-K177 IonicContact OD1-NZ 3.69Å; D141-K177 PolarHBondContact OD1-NZ 3.26Å; D141-K177 IonicContact OD2-NZ 3.83Å; D141-K177 PolarHBondContact OD2-NZ 3.43Å |
| 142 | N | 91.8 | Very high | 83.1 | Confident | 62 Ų | 62 | 46.6 Ų | 46.6 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.5 | -49.6 | 176 | -75.8 | -13.1 | 0 | 0 | 0 | 112.3 | S138 L139 W140 L144 C145 W146 | S138-N142 VanDerWaalsContact O-CB 3.27Å; S138-N142 WeakPolarHBondContact O-CB 3.29Å; S138-N142 PolarHBondContact O-N 2.85Å; S138-N142 PolarHBondContact O-ND2 3.21Å; L139-N142 PolarHBondContact O-N 3.45Å; W140-N142 VanDerWaalsContact C-N 3.31Å; W140-N142 PolarHBondContact O-N 2.81Å; N142-L144 VanDerWaalsContact C-N 3.25Å; N142-L144 PolarHBondContact O-N 2.8Å; N142-C145 PolarHBondContact O-N 3.48Å; N142-C145 VanDerWaalsContact O-N 3.15Å; N142-W146 HydrophobicContact CB-CD2 4.16Å; N142-W146 HydrophobicContact CB-CE3 4.17Å; N142-W146 HydrophobicContact CB-CH2 3.65Å; N142-W146 HydrophobicContact CB-CZ2 3.6Å; N142-W146 HydrophobicContact CB-CZ3 3.93Å; N142-W146 WeakPolarHBondContact O-CB 3.41Å; N142-W146 PolarHBondContact O-N 2.89Å |
| 143 | L | 93.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -36.2 | 178.5 | -72.4 | 174.2 | 0 | 0 | 0 | 112.4 | I96 T122 L139 W140 W146 H147 A148 L152 | I96-L143 HydrophobicContact CG2-CD2 4.38Å; T122-L143 HydrophobicContact CG2-CD1 3.96Å; L139-L143 HydrophobicContact CD1-CD1 4.03Å; L139-L143 HydrophobicContact CD1-CG 4.04Å; L139-L143 HydrophobicContact CG-CD1 4.13Å; L139-L143 HydrophobicContact CG-CG 4.5Å; L139-L143 WeakPolarHBondContact O-CG 3.45Å; L139-L143 PolarHBondContact O-N 2.86Å; W140-L143 PolarHBondContact O-N 2.94Å; L143-W146 HydrophobicContact CD2-CE3 4.19Å; L143-W146 HydrophobicContact CD2-CZ3 4.45Å; L143-H147 PolarHBondContact O-N 2.86Å; L143-A148 HydrophobicContact CD2-CB 4.01Å; L143-A148 PolarHBondContact O-N 3.29Å; L143-L152 HydrophobicContact CB-CB 4.46Å; L143-L152 HydrophobicContact CB-CD1 4.44Å |
| 144 | L | 92 | Very high | 86 | Confident | 19 Ų | 19 | 40.2 Ų | 40.2 | 10% | 0.099 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.8 | -50.5 | 173 | -173.6 | 83.2 | 0 | 0 | 0 | 111.1 | W140 D141 N142 W146 H147 W149 L152 L178 V182 | W140-L144 WeakPolarHBondContact O-CB 3.38Å; W140-L144 PolarHBondContact O-N 2.99Å; W140-L144 VanDerWaalsContact O-N 3.08Å; D141-L144 PolarHBondContact O-N 3.16Å; N142-L144 VanDerWaalsContact C-N 3.25Å; N142-L144 PolarHBondContact O-N 2.8Å; L144-W146 PolarHBondContact O-N 3.42Å; L144-H147 PolarHBondContact O-N 3.09Å; L144-H147 VanDerWaalsContact O-N 3.08Å; L144-W149 HydrophobicContact CD1-CZ3 3.92Å; L144-L152 HydrophobicContact CD1-CD2 4.14Å; L144-L178 HydrophobicContact CB-CD2 4.49Å; L144-L178 HydrophobicContact CD2-CD2 4.37Å; L144-V182 HydrophobicContact CD1-CG2 3.77Å |
| 145 | C | 91.8 | Very high | 87.9 | Confident | 80 Ų | 80 | 33 Ų | 33 | 54% | 0.541 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.8 | -30.1 | 178.3 | -67.8 | 0 | 0 | 0 | 0 | 112.6 | T100 D141 N142 H147 | T100-C145 WeakPolarHBondContact CG2-O 3.44Å; D141-C145 WeakPolarHBondContact O-CB 3.48Å; D141-C145 PolarHBondContact O-N 3.32Å; D141-C145 PolarHBondContact O-SG 3.08Å; N142-C145 PolarHBondContact O-N 3.48Å; N142-C145 VanDerWaalsContact O-N 3.15Å; C145-H147 VanDerWaalsContact C-N 3.28Å |
| 146 | W | 94 | Very high | 89.3 | Confident | 43 Ų | 43 | 31 Ų | 31 | 16% | 0.163 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 2.1 | 177.5 | -56.1 | -26.5 | 0 | 0 | 0 | 113.8 | F93 I96 S97 T100 N106 N142 L143 L144 A148 | F93-W146 HydrophobicContact CB-CH2 4.19Å; F93-W146 HydrophobicContact CB-CZ3 4.33Å; F93-W146 HydrophobicContact CD1-CZ3 4.23Å; I96-W146 HydrophobicContact CB-CE3 4.24Å; I96-W146 HydrophobicContact CB-CZ3 4.42Å; I96-W146 HydrophobicContact CG2-CE3 3.74Å; I96-W146 HydrophobicContact CG2-CZ3 4.35Å; S97-W146 VanDerWaalsContact CB-CZ2 3.43Å; T100-W146 VanDerWaalsContact OG1-CA 3.23Å; T100-W146 WeakPolarHBondContact OG1-CA 3.5Å; T100-W146 VanDerWaalsContact OG1-CB 3.29Å; T100-W146 WeakPolarHBondContact OG1-CB 3.26Å; N106-W146 WeakPolarHBondContact CB-O 3.45Å; N106-W146 PolarHBondContact ND2-O 3.05Å; N142-W146 HydrophobicContact CB-CD2 4.16Å; N142-W146 HydrophobicContact CB-CE3 4.17Å; N142-W146 HydrophobicContact CB-CH2 3.65Å; N142-W146 HydrophobicContact CB-CZ2 3.6Å; N142-W146 HydrophobicContact CB-CZ3 3.93Å; N142-W146 WeakPolarHBondContact O-CB 3.41Å; N142-W146 PolarHBondContact O-N 2.89Å; L143-W146 HydrophobicContact CD2-CE3 4.19Å; L143-W146 HydrophobicContact CD2-CZ3 4.45Å; L144-W146 PolarHBondContact O-N 3.42Å; W146-A148 PolarHBondContact O-N 3.35Å |
| 147 | H | 93.4 | Very high | 90.7 | Very high | 31 Ų | 31 | 32.3 Ų | 32.3 | 14% | 0.144 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 30.6 | -177.2 | -53.6 | 144.2 | 0 | 0 | 0 | 114.4 | E101 L143 L144 C145 W149 | E101-H147 PolarHBondContact O-CE1 3.48Å; E101-H147 PolarHBondContact O-ND1 3.36Å; L143-H147 PolarHBondContact O-N 2.86Å; L144-H147 PolarHBondContact O-N 3.09Å; L144-H147 VanDerWaalsContact O-N 3.08Å; C145-H147 VanDerWaalsContact C-N 3.28Å; H147-W149 VanDerWaalsContact C-N 3.33Å; H147-W149 HydrophobicContact CB-CH2 4.4Å; H147-W149 HydrophobicContact CB-CZ2 3.77Å; H147-W149 AromaticContact CD2-CH2 3.75Å; H147-W149 AromaticContact CD2-CZ2 3.62Å; H147-W149 AromaticContact CG-CZ2 3.95Å; H147-W149 PolarHBondContact O-N 3.13Å |
| 148 | A | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -86 | 66.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I96 E109 L143 W146 S150 S151 L152 | I96-A148 HydrophobicContact CG2-CB 4.06Å; E109-A148 WeakPolarHBondContact OE1-CA 3.06Å; L143-A148 HydrophobicContact CD2-CB 4.01Å; L143-A148 PolarHBondContact O-N 3.29Å; W146-A148 PolarHBondContact O-N 3.35Å; A148-S150 PolarHBondContact O-N 3.44Å; A148-S151 PolarHBondContact O-N 3.17Å; A148-L152 VanDerWaalsContact O-CB 3.26Å; A148-L152 WeakPolarHBondContact O-CB 3.46Å; A148-L152 PolarHBondContact O-N 3.01Å | ||
| 149 | W | 94.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 2% | 0.019 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.6 | -39.1 | -169.9 | -50.5 | 126.2 | 0 | 0 | 0 | 114.4 | F104 E109 L144 H147 R153 C185 K202 L203 L206 | F104-W149 HydrophobicContact CB-CZ2 4.23Å; F104-W149 HydrophobicContact CD1-CZ2 4.4Å; F104-W149 PolarHBondContact O-NE1 3.41Å; E109-W149 PolarHBondContact OE2-N 2.8Å; L144-W149 HydrophobicContact CD1-CZ3 3.92Å; H147-W149 VanDerWaalsContact C-N 3.33Å; H147-W149 HydrophobicContact CB-CH2 4.4Å; H147-W149 HydrophobicContact CB-CZ2 3.77Å; H147-W149 AromaticContact CD2-CH2 3.75Å; H147-W149 AromaticContact CD2-CZ2 3.62Å; H147-W149 AromaticContact CG-CZ2 3.95Å; H147-W149 PolarHBondContact O-N 3.13Å; W149-R153 VanDerWaalsContact O-CB 3.25Å; W149-R153 WeakPolarHBondContact O-CB 3.38Å; W149-R153 PolarHBondContact O-N 3.1Å; W149-C185 HydrophobicContact CH2-CB 4.16Å; W149-K202 HydrophobicContact CB-CB 4.21Å; W149-K202 HydrophobicContact CG-CB 4.49Å; W149-L203 HydrophobicContact CD2-CD2 3.82Å; W149-L203 HydrophobicContact CD2-CG 4.4Å; W149-L203 HydrophobicContact CE3-CD2 3.81Å; W149-L203 HydrophobicContact CG-CD2 4.46Å; W149-L203 HydrophobicContact CH2-CD2 4.16Å; W149-L203 HydrophobicContact CZ2-CD2 4.16Å; W149-L203 HydrophobicContact CZ3-CD2 3.98Å; W149-L206 HydrophobicContact CE3-CD2 4.04Å |
| 150 | S | 91.9 | Very high | 91.8 | Very high | 27 Ų | 27 | 26.2 Ų | 26.2 | 19% | 0.189 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.7 | -38.7 | -175.8 | -47.4 | 0 | 0 | 0 | 0 | 111 | E109 A148 S154 | E109-S150 PolarHBondContact OE1-N 2.64Å; E109-S150 VanDerWaalsContact OE2-CB 3.23Å; E109-S150 WeakPolarHBondContact OE2-CB 3.41Å; E109-S150 PolarHBondContact OE2-N 3.04Å; E109-S150 PolarHBondContact OE2-OG 3.17Å; A148-S150 PolarHBondContact O-N 3.44Å; S150-S154 VanDerWaalsContact O-CB 3.3Å; S150-S154 WeakPolarHBondContact O-CB 3.46Å; S150-S154 PolarHBondContact O-N 3.41Å; S150-S154 PolarHBondContact O-OG 3.2Å |
| 151 | S | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.1 | -44 | 175.2 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | E109 A148 S154 G155 | E109-S151 WeakPolarHBondContact OE1-CA 3.46Å; E109-S151 WeakPolarHBondContact OE1-CB 3.39Å; E109-S151 PolarHBondContact OE1-N 3.01Å; E109-S151 PolarHBondContact OE1-OG 3.34Å; A148-S151 PolarHBondContact O-N 3.17Å; S151-S154 PolarHBondContact O-N 2.97Å; S151-G155 PolarHBondContact O-N 3.37Å |
| 152 | L | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.2 | -51.4 | 172.5 | 179.7 | 58 | 0 | 0 | 0 | 110.6 | W140 L143 L144 A148 S154 G155 L156 L178 L206 | W140-L152 HydrophobicContact CE3-CD1 3.75Å; W140-L152 HydrophobicContact CZ3-CD1 4.2Å; L143-L152 HydrophobicContact CB-CB 4.46Å; L143-L152 HydrophobicContact CB-CD1 4.44Å; L144-L152 HydrophobicContact CD1-CD2 4.14Å; A148-L152 VanDerWaalsContact O-CB 3.26Å; A148-L152 WeakPolarHBondContact O-CB 3.46Å; A148-L152 PolarHBondContact O-N 3.01Å; L152-S154 PolarHBondContact O-N 3.24Å; L152-G155 PolarHBondContact O-N 2.97Å; L152-L156 HydrophobicContact CD1-CD1 4.26Å; L152-L156 HydrophobicContact CD1-CG 4.18Å; L152-L156 HydrophobicContact CG-CD1 4.25Å; L152-L156 VanDerWaalsContact O-CG 3.29Å; L152-L156 WeakPolarHBondContact O-CG 3.35Å; L152-L156 PolarHBondContact O-N 2.71Å; L152-L178 HydrophobicContact CD1-CD1 4.25Å; L152-L206 HydrophobicContact CD2-CD2 3.91Å; L152-L206 HydrophobicContact CG-CD1 4.33Å |
| 153 | R | 93.8 | Very high | 90.4 | Very high | 74 Ų | 74 | 36.7 Ų | 36.7 | 28% | 0.279 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 178.1 | -176 | 178.3 | 172.1 | -120.4 | 3.2 | 112.5 | W149 L156 K157 L206 S209 | W149-R153 VanDerWaalsContact O-CB 3.25Å; W149-R153 WeakPolarHBondContact O-CB 3.38Å; W149-R153 PolarHBondContact O-N 3.1Å; R153-L156 PolarHBondContact O-N 3.14Å; R153-K157 WeakPolarHBondContact O-CG 3.38Å; R153-K157 PolarHBondContact O-N 3.32Å; R153-L206 HydrophobicContact CB-CD1 3.81Å; R153-L206 HydrophobicContact CG-CD1 4.33Å; R153-S209 PolarHBondContact NE-OG 3.34Å |
| 154 | S | 93.1 | Very high | 89.6 | Confident | 34 Ų | 34 | 41.8 Ų | 41.8 | 24% | 0.238 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.4 | -38.3 | -179.6 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | A119 S150 S151 L152 K157 A158 | A119-S154 WeakPolarHBondContact O-CB 3.35Å; S150-S154 VanDerWaalsContact O-CB 3.3Å; S150-S154 WeakPolarHBondContact O-CB 3.46Å; S150-S154 PolarHBondContact O-N 3.41Å; S150-S154 PolarHBondContact O-OG 3.2Å; S151-S154 PolarHBondContact O-N 2.97Å; L152-S154 PolarHBondContact O-N 3.24Å; S154-K157 PolarHBondContact O-N 2.96Å; S154-A158 WeakPolarHBondContact O-CB 3.33Å; S154-A158 PolarHBondContact O-N 2.91Å |
| 155 | G | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S151 L152 K157 A158 A159 | S151-G155 PolarHBondContact O-N 3.37Å; L152-G155 PolarHBondContact O-N 2.97Å; G155-K157 PolarHBondContact O-N 3.47Å; G155-A158 WeakPolarHBondContact O-CB 3.36Å; G155-A158 PolarHBondContact O-N 3.49Å; G155-A159 WeakPolarHBondContact O-CB 3.36Å; G155-A159 PolarHBondContact O-N 3.15Å |
| 156 | L | 91.9 | Very high | 88.2 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64 | -39.9 | 176.7 | -68.9 | 178 | 0 | 0 | 0 | 112.3 | W140 L152 R153 A158 A159 A160 F171 I175 L178 L206 | W140-L156 HydrophobicContact CE3-CD2 4.05Å; W140-L156 HydrophobicContact CH2-CD2 4.14Å; W140-L156 HydrophobicContact CZ3-CD2 3.74Å; W140-L156 HydrophobicContact CZ3-CG 4.18Å; L152-L156 HydrophobicContact CD1-CD1 4.26Å; L152-L156 HydrophobicContact CD1-CG 4.18Å; L152-L156 HydrophobicContact CG-CD1 4.25Å; L152-L156 VanDerWaalsContact O-CG 3.29Å; L152-L156 WeakPolarHBondContact O-CG 3.35Å; L152-L156 PolarHBondContact O-N 2.71Å; R153-L156 PolarHBondContact O-N 3.14Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A159 PolarHBondContact O-N 3.34Å; L156-A160 VanDerWaalsContact O-CB 3.27Å; L156-A160 WeakPolarHBondContact O-CB 3.26Å; L156-A160 PolarHBondContact O-N 3.01Å; L156-F171 HydrophobicContact CB-CE2 4.34Å; L156-F171 HydrophobicContact CD2-CE2 4.06Å; L156-F171 WeakPolarHBondContact O-CE2 3.5Å; L156-I175 HydrophobicContact CD1-CD1 3.76Å; L156-I175 HydrophobicContact CD2-CD1 3.62Å; L156-I175 HydrophobicContact CG-CD1 4.19Å; L156-L178 HydrophobicContact CD2-CD1 4.16Å; L156-L206 HydrophobicContact CD1-CD1 4Å |
| 157 | K | 90.5 | Very high | 87.7 | Confident | 92 Ų | 92 | 45.4 Ų | 45.4 | 40% | 0.4 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 172.3 | -77.7 | -177.3 | 171 | -157.5 | 0 | 112.2 | R153 S154 G155 A160 S161 L213 | R153-K157 WeakPolarHBondContact O-CG 3.38Å; R153-K157 PolarHBondContact O-N 3.32Å; S154-K157 PolarHBondContact O-N 2.96Å; G155-K157 PolarHBondContact O-N 3.47Å; K157-A160 PolarHBondContact O-N 3.46Å; K157-S161 PolarHBondContact O-N 2.93Å; K157-L213 HydrophobicContact CB-CD1 4.5Å; K157-L213 HydrophobicContact CG-CD1 3.8Å; K157-L213 HydrophobicContact CG-CD2 4.5Å |
| 158 | A | 88.6 | Confident | 87.1 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 11% | 0.107 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.3 | -43 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A123 V126 S154 G155 L156 S161 | A123-A158 HydrophobicContact CB-CB 3.91Å; A123-A158 WeakPolarHBondContact O-CB 3.17Å; V126-A158 HydrophobicContact CB-CB 4.47Å; V126-A158 HydrophobicContact CG1-CB 4.31Å; S154-A158 WeakPolarHBondContact O-CB 3.33Å; S154-A158 PolarHBondContact O-N 2.91Å; G155-A158 WeakPolarHBondContact O-CB 3.36Å; G155-A158 PolarHBondContact O-N 3.49Å; L156-A158 VanDerWaalsContact C-N 3.34Å; A158-S161 WeakPolarHBondContact O-CB 3.2Å; A158-S161 PolarHBondContact O-N 3.43Å; A158-S161 PolarHBondContact O-OG 3.33Å |
| 159 | A | 88 | Confident | 86.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V126 W130 W140 G155 L156 S161 F162 F171 | V126-A159 HydrophobicContact CG1-CB 3.93Å; W130-A159 HydrophobicContact CE3-CB 4.11Å; W130-A159 HydrophobicContact CH2-CB 4.22Å; W130-A159 HydrophobicContact CZ3-CB 3.7Å; W140-A159 HydrophobicContact CH2-CB 4.15Å; W140-A159 HydrophobicContact CZ2-CB 4.28Å; G155-A159 WeakPolarHBondContact O-CB 3.36Å; G155-A159 PolarHBondContact O-N 3.15Å; L156-A159 PolarHBondContact O-N 3.34Å; A159-S161 PolarHBondContact O-N 3.05Å; A159-F162 WeakPolarHBondContact O-CD2 3.41Å; A159-F162 PolarHBondContact O-N 2.68Å; A159-F171 HydrophobicContact CB-CD2 3.64Å; A159-F171 HydrophobicContact CB-CE2 4.07Å |
| 160 | A | 84.8 | Confident | 86 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 12% | 0.116 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -23.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L156 K157 F162 R168 F171 L213 | L156-A160 VanDerWaalsContact O-CB 3.27Å; L156-A160 WeakPolarHBondContact O-CB 3.26Å; L156-A160 PolarHBondContact O-N 3.01Å; K157-A160 PolarHBondContact O-N 3.46Å; A160-F162 PolarHBondContact O-N 2.89Å; A160-R168 PolarHBondContact O-NH1 3.18Å; A160-R168 VanDerWaalsContact O-NH1 3.14Å; A160-F171 HydrophobicContact CB-CE1 4.05Å; A160-F171 HydrophobicContact CB-CE2 4.07Å; A160-F171 HydrophobicContact CB-CZ 3.7Å; A160-L213 HydrophobicContact CB-CB 4.08Å; A160-L213 HydrophobicContact CB-CD1 4.23Å; A160-L213 HydrophobicContact CB-CD2 3.82Å; A160-L213 HydrophobicContact CB-CG 4.26Å |
| 161 | S | 84.2 | Confident | 85.8 | Confident | 69 Ų | 69 | 54.4 Ų | 54.4 | 48% | 0.483 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -13.3 | 178 | 80.2 | 0 | 0 | 0 | 0 | 114.2 | K157 A158 A159 R163 | K157-S161 PolarHBondContact O-N 2.93Å; A158-S161 WeakPolarHBondContact O-CB 3.2Å; A158-S161 PolarHBondContact O-N 3.43Å; A158-S161 PolarHBondContact O-OG 3.33Å; A159-S161 PolarHBondContact O-N 3.05Å; S161-R163 PolarHBondContact O-N 3.33Å |
| 162 | F | 81.8 | Confident | 85.3 | Confident | 27 Ų | 27 | 55 Ų | 55 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | trans | -70.4 | 123 | 176.1 | -67.6 | -58.6 | 0 | 0 | 0 | 111.2 | K127 W130 A159 A160 R167 R168 | K127-F162 WeakPolarHBondContact O-CZ 3.28Å; W130-F162 HydrophobicContact CE3-CD2 4.03Å; W130-F162 AromaticContact CE3-CE2 3.72Å; W130-F162 HydrophobicContact CE3-CE2 3.72Å; W130-F162 AromaticContact CZ3-CD2 3.99Å; W130-F162 HydrophobicContact CZ3-CD2 3.99Å; W130-F162 HydrophobicContact CZ3-CE2 4.15Å; A159-F162 WeakPolarHBondContact O-CD2 3.41Å; A159-F162 PolarHBondContact O-N 2.68Å; A160-F162 PolarHBondContact O-N 2.89Å; F162-R167 HydrophobicContact CB-CB 3.84Å; F162-R167 VanDerWaalsContact CD1-NH1 3.34Å; F162-R167 HydrophobicContact CG-CB 4.35Å; F162-R167 VanDerWaalsContact CZ-NH1 3.28Å; F162-R168 WeakPolarHBondContact O-CD 3.14Å; F162-R168 WeakPolarHBondContact O-CG 3.43Å | ||
| 163 | R | 76.8 | Confident | 84.8 | Confident | 239 Ų | 239 | 60.6 Ų | 60.6 | 90% | 0.902 | 30% | 0.303 | S | S | * | . | trans | -84.1 | -18.2 | -179.5 | -62.6 | -176.5 | 179.1 | -178.7 | -1.7 | 114.2 | S161 | S161-R163 PolarHBondContact O-N 3.33Š| ||
| 164 | L | 76.8 | Confident | 84.4 | Confident | 108 Ų | 108 | 57.6 Ų | 57.6 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | trans | -67.2 | 128.1 | -176.6 | -71.3 | 171.9 | 0 | 0 | 0 | 111.1 | A166 R167 R168 | L164-A166 VanDerWaalsContact C-N 3.31Å; L164-A166 PolarHBondContact O-N 3.04Å; L164-R167 HydrophobicContact CB-CB 4.29Å; L164-R167 HydrophobicContact CB-CG 4.07Å; L164-R167 HydrophobicContact CD1-CG 4.41Å; L164-R167 PolarHBondContact O-N 2.87Å; L164-R168 PolarHBondContact O-N 3.14Å | ||
| 165 | P | 76.9 | Confident | 84.2 | Confident | 89 Ų | 89 | 56 Ų | 56 | 58% | 0.578 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -55.1 | -39.8 | -178.2 | -28.9 | 34.9 | 0 | 0 | 0 | 114.4 | R167 R168 R169 | P165-R167 VanDerWaalsContact C-N 3.34Å; P165-R167 PolarHBondContact O-N 3.46Å; P165-R168 PolarHBondContact O-N 3.28Å; P165-R169 WeakPolarHBondContact O-CG 3.3Å; P165-R169 PolarHBondContact O-N 3.19Å |
| 166 | A | 77.6 | Confident | 83.8 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 63% | 0.628 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.7 | -39.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L164 R169 A170 | L164-A166 VanDerWaalsContact C-N 3.31Å; L164-A166 PolarHBondContact O-N 3.04Å; A166-R169 PolarHBondContact O-N 2.95Å; A166-A170 PolarHBondContact O-N 3.48Å; A166-A170 VanDerWaalsContact O-N 3.07Å |
| 167 | R | 82 | Confident | 83.5 | Confident | 52 Ų | 52 | 62.7 Ų | 62.7 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -72.1 | -36.5 | 175.9 | -61.7 | -163.2 | 173.1 | -162.1 | -7.1 | 111.9 | L131 F162 L164 P165 A170 F171 | L131-R167 HydrophobicContact CD1-CB 4.15Å; L131-R167 HydrophobicContact CD1-CG 3.66Å; F162-R167 HydrophobicContact CB-CB 3.84Å; F162-R167 VanDerWaalsContact CD1-NH1 3.34Å; F162-R167 HydrophobicContact CG-CB 4.35Å; F162-R167 VanDerWaalsContact CZ-NH1 3.28Å; L164-R167 HydrophobicContact CB-CB 4.29Å; L164-R167 HydrophobicContact CB-CG 4.07Å; L164-R167 HydrophobicContact CD1-CG 4.41Å; L164-R167 PolarHBondContact O-N 2.87Å; P165-R167 VanDerWaalsContact C-N 3.34Å; P165-R167 PolarHBondContact O-N 3.46Å; R167-A170 PolarHBondContact O-N 2.92Å; R167-F171 WeakPolarHBondContact O-CB 3.38Å; R167-F171 PolarHBondContact O-N 2.87Å |
| 168 | R | 81.7 | Confident | 83.5 | Confident | 48 Ų | 48 | 58.5 Ų | 58.5 | 18% | 0.181 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 172.3 | -72.4 | -67.1 | -62.2 | -178.7 | 2.7 | 111.6 | A160 F162 L164 P165 F171 N172 L213 V214 D218 | A160-R168 PolarHBondContact O-NH1 3.18Å; A160-R168 VanDerWaalsContact O-NH1 3.14Å; F162-R168 WeakPolarHBondContact O-CD 3.14Å; F162-R168 WeakPolarHBondContact O-CG 3.43Å; L164-R168 PolarHBondContact O-N 3.14Å; P165-R168 PolarHBondContact O-N 3.28Å; R168-F171 WeakPolarHBondContact O-CB 3.24Å; R168-F171 PolarHBondContact O-N 3.43Å; R168-N172 WeakPolarHBondContact O-CB 3.38Å; R168-N172 PolarHBondContact O-N 3.44Å; R168-N172 PolarHBondContact O-ND2 3.07Å; R168-L213 PolarHBondContact NH2-O 3.14Å; R168-V214 PolarHBondContact NH2-O 2.98Å; R168-D218 IonicContact CZ-OD2 3.03Å; R168-D218 IonicContact NE-OD2 3.46Å; R168-D218 PolarHBondContact NE-OD2 3.29Å; R168-D218 IonicContact NH2-OD2 2.88Å; R168-D218 PolarHBondContact NH2-OD2 3.45Å |
| 169 | R | 81.6 | Confident | 83.6 | Confident | 180 Ų | 180 | 58.1 Ų | 58.1 | 68% | 0.679 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.1 | -47.4 | 173.1 | -72.4 | -179.7 | -168 | 167.8 | 3.4 | 111.9 | P165 A166 F171 N172 I173 | P165-R169 WeakPolarHBondContact O-CG 3.3Å; P165-R169 PolarHBondContact O-N 3.19Å; A166-R169 PolarHBondContact O-N 2.95Å; R169-F171 VanDerWaalsContact C-N 3.34Å; R169-F171 PolarHBondContact O-N 2.83Å; R169-N172 PolarHBondContact O-N 3.3Å; R169-I173 VanDerWaalsContact O-CG1 3.31Å; R169-I173 WeakPolarHBondContact O-CG1 3.38Å; R169-I173 PolarHBondContact O-N 3.41Å |
| 170 | A | 83.3 | Confident | 83.8 | Confident | 25 Ų | 25 | 61.1 Ų | 61.1 | 21% | 0.207 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W130 L131 A166 R167 N172 I173 T174 | W130-A170 HydrophobicContact CH2-CB 4.28Å; W130-A170 HydrophobicContact CZ2-CB 4.41Å; L131-A170 HydrophobicContact CD1-CB 4.3Å; L131-A170 HydrophobicContact CD2-CB 4.39Å; A166-A170 PolarHBondContact O-N 3.48Å; A166-A170 VanDerWaalsContact O-N 3.07Å; R167-A170 PolarHBondContact O-N 2.92Å; A170-N172 PolarHBondContact O-N 2.88Å; A170-I173 PolarHBondContact O-N 2.9Å; A170-T174 PolarHBondContact O-N 3.2Å; A170-T174 PolarHBondContact O-OG1 3.39Å |
| 171 | F | 87.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.8 | -45.5 | 175.4 | 172.3 | -103.5 | 0 | 0 | 0 | 112.5 | W130 L156 A159 A160 R167 R168 R169 I173 T174 I175 L213 | W130-F171 HydrophobicContact CH2-CB 3.99Å; L156-F171 HydrophobicContact CB-CE2 4.34Å; L156-F171 HydrophobicContact CD2-CE2 4.06Å; L156-F171 WeakPolarHBondContact O-CE2 3.5Å; A159-F171 HydrophobicContact CB-CD2 3.64Å; A159-F171 HydrophobicContact CB-CE2 4.07Å; A160-F171 HydrophobicContact CB-CE1 4.05Å; A160-F171 HydrophobicContact CB-CE2 4.07Å; A160-F171 HydrophobicContact CB-CZ 3.7Å; R167-F171 WeakPolarHBondContact O-CB 3.38Å; R167-F171 PolarHBondContact O-N 2.87Å; R168-F171 WeakPolarHBondContact O-CB 3.24Å; R168-F171 PolarHBondContact O-N 3.43Å; R169-F171 VanDerWaalsContact C-N 3.34Å; R169-F171 PolarHBondContact O-N 2.83Å; F171-I173 VanDerWaalsContact C-N 3.33Å; F171-I173 PolarHBondContact O-N 3.22Å; F171-T174 WeakPolarHBondContact O-CB 3.17Å; F171-T174 PolarHBondContact O-N 3.14Å; F171-I175 HydrophobicContact CD1-CG1 4.38Å; F171-I175 HydrophobicContact CD2-CG1 4.27Å; F171-I175 HydrophobicContact CE1-CG1 3.89Å; F171-I175 HydrophobicContact CE2-CD1 3.9Å; F171-I175 HydrophobicContact CE2-CG1 3.78Å; F171-I175 HydrophobicContact CZ-CD1 3.82Å; F171-I175 HydrophobicContact CZ-CG1 3.56Å; F171-I175 WeakPolarHBondContact O-CG1 3.33Å; F171-I175 PolarHBondContact O-N 2.93Å; F171-L213 HydrophobicContact CE1-CB 4.49Å; F171-L213 HydrophobicContact CZ-CB 4.11Å |
| 172 | N | 83.8 | Confident | 84.6 | Confident | 11 Ų | 11 | 59.7 Ų | 59.7 | 6% | 0.059 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 178.7 | -67.1 | -18.9 | 0 | 0 | 0 | 111.6 | R168 R169 A170 I175 A176 D218 | R168-N172 WeakPolarHBondContact O-CB 3.38Å; R168-N172 PolarHBondContact O-N 3.44Å; R168-N172 PolarHBondContact O-ND2 3.07Å; R169-N172 PolarHBondContact O-N 3.3Å; A170-N172 PolarHBondContact O-N 2.88Å; N172-I175 PolarHBondContact O-N 3.47Å; N172-A176 WeakPolarHBondContact O-CB 3.38Å; N172-A176 PolarHBondContact O-N 3.07Å; N172-D218 WeakPolarHBondContact ND2-CB 3.3Å; N172-D218 PolarHBondContact ND2-OD2 2.9Å |
| 173 | I | 84.1 | Confident | 85.2 | Confident | 119 Ų | 119 | 59.1 Ų | 59.1 | 61% | 0.61 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.6 | -44.2 | 173.4 | -67 | 164.7 | 0 | 0 | 0 | 110.6 | R169 A170 F171 A176 K177 | R169-I173 VanDerWaalsContact O-CG1 3.31Å; R169-I173 WeakPolarHBondContact O-CG1 3.38Å; R169-I173 PolarHBondContact O-N 3.41Å; A170-I173 PolarHBondContact O-N 2.9Å; F171-I173 VanDerWaalsContact C-N 3.33Å; F171-I173 PolarHBondContact O-N 3.22Å; I173-A176 PolarHBondContact O-N 3Å; I173-K177 PolarHBondContact O-N 3.4Å |
| 174 | T | 87.2 | Confident | 86 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60 | -47.8 | 175.8 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | W140 A170 F171 K177 L178 | W140-T174 HydrophobicContact CB-CG2 4.13Å; W140-T174 HydrophobicContact CD2-CG2 3.8Å; W140-T174 HydrophobicContact CG-CG2 3.51Å; A170-T174 PolarHBondContact O-N 3.2Å; A170-T174 PolarHBondContact O-OG1 3.39Å; F171-T174 WeakPolarHBondContact O-CB 3.17Å; F171-T174 PolarHBondContact O-N 3.14Å; T174-K177 PolarHBondContact O-N 2.96Å; T174-L178 HydrophobicContact CG2-CD1 3.76Å; T174-L178 HydrophobicContact CG2-CG 4.33Å; T174-L178 WeakPolarHBondContact O-CB 3.28Å; T174-L178 VanDerWaalsContact O-CG 3.3Å; T174-L178 WeakPolarHBondContact O-CG 3.23Å; T174-L178 PolarHBondContact O-N 3.17Å |
| 175 | I | 87 | Confident | 86.9 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 177.7 | -65.8 | -67.7 | 0 | 0 | 0 | 110.9 | L156 F171 N172 K177 L178 L179 V214 | L156-I175 HydrophobicContact CD1-CD1 3.76Å; L156-I175 HydrophobicContact CD2-CD1 3.62Å; L156-I175 HydrophobicContact CG-CD1 4.19Å; F171-I175 HydrophobicContact CD1-CG1 4.38Å; F171-I175 HydrophobicContact CD2-CG1 4.27Å; F171-I175 HydrophobicContact CE1-CG1 3.89Å; F171-I175 HydrophobicContact CE2-CD1 3.9Å; F171-I175 HydrophobicContact CE2-CG1 3.78Å; F171-I175 HydrophobicContact CZ-CD1 3.82Å; F171-I175 HydrophobicContact CZ-CG1 3.56Å; F171-I175 WeakPolarHBondContact O-CG1 3.33Å; F171-I175 PolarHBondContact O-N 2.93Å; N172-I175 PolarHBondContact O-N 3.47Å; I175-K177 PolarHBondContact O-N 3.49Å; I175-L178 PolarHBondContact O-N 3.44Å; I175-L178 VanDerWaalsContact O-N 3.13Å; I175-L179 HydrophobicContact CG2-CD2 4.44Å; I175-L179 VanDerWaalsContact O-CB 3.3Å; I175-L179 WeakPolarHBondContact O-CB 3.45Å; I175-L179 PolarHBondContact O-N 3Å; I175-V214 HydrophobicContact CB-CG2 4.07Å; I175-V214 HydrophobicContact CG1-CG2 4.14Å; I175-V214 HydrophobicContact CG2-CG2 3.54Å |
| 176 | A | 84 | Confident | 87.7 | Confident | 24 Ų | 24 | 42.1 Ų | 42.1 | 20% | 0.198 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.3 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | N172 I173 P180 L222 | N172-A176 WeakPolarHBondContact O-CB 3.38Å; N172-A176 PolarHBondContact O-N 3.07Å; I173-A176 PolarHBondContact O-N 3Å; A176-P180 VanDerWaalsContact O-CD 3.28Å; A176-P180 WeakPolarHBondContact O-CD 3.48Å; A176-L222 HydrophobicContact CB-CD1 3.5Å; A176-L222 VanDerWaalsContact CB-CD1 3.5Å; A176-L222 HydrophobicContact CB-CG 3.81Å |
| 177 | K | 86.1 | Confident | 88.5 | Confident | 119 Ų | 119 | 43.8 Ų | 43.8 | 52% | 0.517 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.4 | -40.4 | 177.4 | -170.4 | -172.5 | 178.5 | -164.9 | 0 | 112.7 | D141 I173 T174 I175 | D141-K177 IonicContact OD1-NZ 3.69Å; D141-K177 PolarHBondContact OD1-NZ 3.26Å; D141-K177 IonicContact OD2-NZ 3.83Å; D141-K177 PolarHBondContact OD2-NZ 3.43Å; I173-K177 PolarHBondContact O-N 3.4Å; T174-K177 PolarHBondContact O-N 2.96Å; I175-K177 PolarHBondContact O-N 3.49Å |
| 178 | L | 90.4 | Very high | 89.1 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -77.8 | -37.7 | -174.5 | -72.8 | 173.4 | 0 | 0 | 0 | 113.8 | W140 L144 L152 L156 T174 I175 S181 V182 | W140-L178 HydrophobicContact CB-CD1 4.12Å; W140-L178 HydrophobicContact CB-CD2 4.11Å; W140-L178 HydrophobicContact CB-CG 4.46Å; L144-L178 HydrophobicContact CB-CD2 4.49Å; L144-L178 HydrophobicContact CD2-CD2 4.37Å; L152-L178 HydrophobicContact CD1-CD1 4.25Å; L156-L178 HydrophobicContact CD2-CD1 4.16Å; T174-L178 HydrophobicContact CG2-CD1 3.76Å; T174-L178 HydrophobicContact CG2-CG 4.33Å; T174-L178 WeakPolarHBondContact O-CB 3.28Å; T174-L178 VanDerWaalsContact O-CG 3.3Å; T174-L178 WeakPolarHBondContact O-CG 3.23Å; T174-L178 PolarHBondContact O-N 3.17Å; I175-L178 PolarHBondContact O-N 3.44Å; I175-L178 VanDerWaalsContact O-N 3.13Å; L178-S181 WeakPolarHBondContact O-CB 3.27Å; L178-S181 PolarHBondContact O-N 2.95Å; L178-S181 VanDerWaalsContact O-N 3.11Å; L178-V182 WeakPolarHBondContact O-CG2 3.34Å; L178-V182 PolarHBondContact O-N 3.15Å |
| 179 | L | 90.4 | Very high | 89.6 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | -165.7 | -162.1 | 59.6 | 0 | 0 | 0 | 114 | I175 S181 V182 I183 L207 C210 F211 I228 | I175-L179 HydrophobicContact CG2-CD2 4.44Å; I175-L179 VanDerWaalsContact O-CB 3.3Å; I175-L179 WeakPolarHBondContact O-CB 3.45Å; I175-L179 PolarHBondContact O-N 3Å; L179-S181 VanDerWaalsContact C-N 3.3Å; L179-S181 PolarHBondContact O-N 3.42Å; L179-V182 PolarHBondContact O-N 2.93Å; L179-I183 HydrophobicContact CG-CD1 4.18Å; L179-I183 VanDerWaalsContact O-CG1 3.3Å; L179-I183 WeakPolarHBondContact O-CG1 3.25Å; L179-I183 PolarHBondContact O-N 3.08Å; L179-L207 HydrophobicContact CD1-CD2 3.99Å; L179-C210 HydrophobicContact CD1-CB 3.71Å; L179-F211 HydrophobicContact CD1-CE2 4.32Å; L179-F211 HydrophobicContact CD1-CZ 4.41Å; L179-F211 HydrophobicContact CD2-CE1 3.93Å; L179-F211 HydrophobicContact CD2-CZ 3.9Å; L179-F211 HydrophobicContact CG-CZ 4.4Å; L179-I228 HydrophobicContact CD2-CG2 3.33Å; L179-I228 HydrophobicContact CG-CG2 3.84Å |
| 180 | P | 91.5 | Very high | 90 | Very high | 63 Ų | 63 | 34.2 Ų | 34.2 | 41% | 0.409 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -56.9 | -42.4 | 174.6 | -25.4 | 35.2 | 0 | 0 | 0 | 112.9 | A176 I183 S184 I228 | A176-P180 VanDerWaalsContact O-CD 3.28Å; A176-P180 WeakPolarHBondContact O-CD 3.48Å; P180-I183 PolarHBondContact O-N 3.37Å; P180-S184 PolarHBondContact O-N 3.3Å; P180-I228 HydrophobicContact CG-CD1 4.26Å; P180-I228 HydrophobicContact CG-CG1 4.3Å |
| 181 | S | 92.9 | Very high | 90.2 | Very high | 52 Ų | 52 | 38.4 Ų | 38.4 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69 | -39.9 | 178.8 | -53.1 | 0 | 0 | 0 | 0 | 111.8 | L178 L179 S184 C185 | L178-S181 WeakPolarHBondContact O-CB 3.27Å; L178-S181 PolarHBondContact O-N 2.95Å; L178-S181 VanDerWaalsContact O-N 3.11Å; L179-S181 VanDerWaalsContact C-N 3.3Å; L179-S181 PolarHBondContact O-N 3.42Å; S181-S184 WeakPolarHBondContact O-CB 3.42Å; S181-S184 PolarHBondContact O-N 2.86Å; S181-C185 PolarHBondContact O-N 3.23Å; S181-C185 PolarHBondContact O-SG 3.02Å |
| 182 | V | 93.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 175.6 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | L144 L178 L179 S184 C185 F186 L203 L206 L207 | L144-V182 HydrophobicContact CD1-CG2 3.77Å; L178-V182 WeakPolarHBondContact O-CG2 3.34Å; L178-V182 PolarHBondContact O-N 3.15Å; L179-V182 PolarHBondContact O-N 2.93Å; V182-S184 VanDerWaalsContact C-N 3.34Å; V182-C185 PolarHBondContact O-N 2.98Å; V182-F186 PolarHBondContact O-N 3Å; V182-L203 HydrophobicContact CG1-CD2 4.31Å; V182-L206 HydrophobicContact CG1-CD2 3.75Å; V182-L206 HydrophobicContact CG1-CG 4.14Å; V182-L206 HydrophobicContact CG2-CD2 4.18Å; V182-L207 HydrophobicContact CB-CD2 4.31Å; V182-L207 HydrophobicContact CG1-CD2 3.64Å; V182-L207 HydrophobicContact CG1-CG 4Å |
| 183 | I | 94.1 | Very high | 90.3 | Very high | 15 Ų | 15 | 42.4 Ų | 42.4 | 8% | 0.077 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -44.7 | 174.5 | -68.2 | 165.9 | 0 | 0 | 0 | 110.1 | L179 P180 C185 F186 K187 L207 I228 A232 V235 | L179-I183 HydrophobicContact CG-CD1 4.18Å; L179-I183 VanDerWaalsContact O-CG1 3.3Å; L179-I183 WeakPolarHBondContact O-CG1 3.25Å; L179-I183 PolarHBondContact O-N 3.08Å; P180-I183 PolarHBondContact O-N 3.37Å; I183-C185 PolarHBondContact O-N 3.31Å; I183-F186 PolarHBondContact O-N 3.16Å; I183-K187 WeakPolarHBondContact O-CB 3.48Å; I183-K187 PolarHBondContact O-N 2.9Å; I183-L207 HydrophobicContact CG1-CD2 3.86Å; I183-I228 HydrophobicContact CD1-CG2 4Å; I183-I228 WeakPolarHBondContact CD1-O 3.03Å; I183-A232 HydrophobicContact CD1-CB 4.13Å; I183-A232 HydrophobicContact CG1-CB 4.48Å; I183-V235 HydrophobicContact CG2-CG2 4.28Å |
| 184 | S | 94.2 | Very high | 90.2 | Very high | 58 Ų | 58 | 43.6 Ų | 43.6 | 41% | 0.406 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 175.7 | -172 | 0 | 0 | 0 | 0 | 112.1 | P180 S181 V182 K187 N188 | P180-S184 PolarHBondContact O-N 3.3Å; S181-S184 WeakPolarHBondContact O-CB 3.42Å; S181-S184 PolarHBondContact O-N 2.86Å; V182-S184 VanDerWaalsContact C-N 3.34Å; S184-K187 PolarHBondContact O-N 3.4Å; S184-N188 WeakPolarHBondContact O-CB 3.47Å; S184-N188 PolarHBondContact O-N 3.28Å; S184-N188 PolarHBondContact O-ND2 3.47Å |
| 185 | C | 94.5 | Very high | 90.1 | Very high | 20 Ų | 20 | 48 Ų | 48 | 14% | 0.135 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 174.9 | -69.7 | 0 | 0 | 0 | 0 | 111.6 | W149 S181 V182 I183 N188 A189 L203 | W149-C185 HydrophobicContact CH2-CB 4.16Å; S181-C185 PolarHBondContact O-N 3.23Å; S181-C185 PolarHBondContact O-SG 3.02Å; V182-C185 PolarHBondContact O-N 2.98Å; I183-C185 PolarHBondContact O-N 3.31Å; C185-N188 PolarHBondContact O-N 2.97Å; C185-A189 VanDerWaalsContact O-CB 3.27Å; C185-A189 WeakPolarHBondContact O-CB 3.47Å; C185-A189 PolarHBondContact O-N 2.69Å; C185-L203 HydrophobicContact CB-CD1 4.49Å; C185-L203 HydrophobicContact CB-CD2 4.28Å |
| 186 | F | 95.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 177.9 | -175.3 | -127 | 0 | 0 | 0 | 112.4 | V182 I183 A189 S190 C200 L203 L207 V235 A239 F259 | V182-F186 PolarHBondContact O-N 3Å; I183-F186 PolarHBondContact O-N 3.16Å; F186-A189 PolarHBondContact O-N 3.04Å; F186-S190 WeakPolarHBondContact O-CB 3.41Å; F186-S190 PolarHBondContact O-N 3.47Å; F186-S190 PolarHBondContact O-OG 3.49Å; F186-C200 HydrophobicContact CE2-CB 4.01Å; F186-C200 WeakPolarHBondContact CE2-O 3.48Å; F186-L203 HydrophobicContact CB-CB 4.2Å; F186-L203 HydrophobicContact CB-CD1 4.45Å; F186-L203 HydrophobicContact CD2-CB 3.64Å; F186-L203 HydrophobicContact CD2-CD1 4.41Å; F186-L203 HydrophobicContact CE2-CB 4.47Å; F186-L203 HydrophobicContact CG-CB 4.26Å; F186-L207 HydrophobicContact CB-CD1 3.88Å; F186-L207 HydrophobicContact CD1-CD1 3.49Å; F186-L207 VanDerWaalsContact CD1-CD1 3.49Å; F186-L207 HydrophobicContact CE1-CD1 4.22Å; F186-L207 HydrophobicContact CG-CD1 3.76Å; F186-V235 HydrophobicContact CD1-CB 4.32Å; F186-V235 HydrophobicContact CD1-CG1 3.33Å; F186-V235 HydrophobicContact CE1-CG1 3.71Å; F186-V235 HydrophobicContact CG-CG1 4.18Å; F186-A239 HydrophobicContact CE1-CB 4.31Å; F186-A239 HydrophobicContact CZ-CB 4.06Å; F186-F259 HydrophobicContact CE2-CE2 4.43Å; F186-F259 HydrophobicContact CZ-CE2 4.44Å |
| 187 | K | 94.4 | Very high | 90.4 | Very high | 111 Ų | 111 | 48.3 Ų | 48.3 | 48% | 0.483 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.8 | -50.5 | 173.5 | -173.3 | 179.8 | 178.8 | -179.5 | 0 | 111.7 | I183 S184 A189 S190 T191 V235 | I183-K187 WeakPolarHBondContact O-CB 3.48Å; I183-K187 PolarHBondContact O-N 2.9Å; S184-K187 PolarHBondContact O-N 3.4Å; K187-A189 VanDerWaalsContact C-N 3.34Å; K187-A189 PolarHBondContact O-N 3.19Å; K187-S190 PolarHBondContact O-N 2.81Å; K187-T191 WeakPolarHBondContact O-CG2 3.32Å; K187-T191 PolarHBondContact O-N 3.14Å; K187-V235 HydrophobicContact CB-CG1 4.09Å; K187-V235 HydrophobicContact CB-CG2 3.78Å; K187-V235 HydrophobicContact CD-CG2 4.16Å; K187-V235 HydrophobicContact CG-CG2 3.97Å |
| 188 | N | 93.4 | Very high | 90.6 | Very high | 76 Ų | 76 | 45.6 Ų | 45.6 | 41% | 0.406 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.4 | -32.8 | -178.7 | -65.9 | -12.6 | 0 | 0 | 0 | 112.3 | F104 S184 C185 T191 | F104-N188 HydrophobicContact CE1-CB 4.42Å; F104-N188 HydrophobicContact CZ-CB 3.79Å; S184-N188 WeakPolarHBondContact O-CB 3.47Å; S184-N188 PolarHBondContact O-N 3.28Å; S184-N188 PolarHBondContact O-ND2 3.47Å; C185-N188 PolarHBondContact O-N 2.97Å; N188-T191 PolarHBondContact O-OG1 2.78Å |
| 189 | A | 92.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.8 | -41 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | C185 F186 K187 T191 N192 N196 L203 | C185-A189 VanDerWaalsContact O-CB 3.27Å; C185-A189 WeakPolarHBondContact O-CB 3.47Å; C185-A189 PolarHBondContact O-N 2.69Å; F186-A189 PolarHBondContact O-N 3.04Å; K187-A189 VanDerWaalsContact C-N 3.34Å; K187-A189 PolarHBondContact O-N 3.19Å; A189-T191 PolarHBondContact O-N 3Å; A189-N192 CarbonylContact O-C 3.44Å; A189-N192 PolarHBondContact O-N 3.48Å; A189-N196 HydrophobicContact CB-CB 4.2Å; A189-N196 WeakPolarHBondContact O-CB 3.26Å; A189-N196 PolarHBondContact O-ND2 3.4Å; A189-L203 HydrophobicContact CB-CD1 3.86Å |
| 190 | S | 90.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.2 | -22.6 | -178.2 | -57.3 | 0 | 0 | 0 | 0 | 113.5 | F186 K187 N192 L193 | F186-S190 WeakPolarHBondContact O-CB 3.41Å; F186-S190 PolarHBondContact O-N 3.47Å; F186-S190 PolarHBondContact O-OG 3.49Å; K187-S190 PolarHBondContact O-N 2.81Å; S190-N192 PolarHBondContact O-N 2.9Å; S190-L193 PolarHBondContact O-N 2.77Å |
| 191 | T | 87.7 | Confident | 90.8 | Very high | 113 Ų | 113 | 42.7 Ų | 42.7 | 69% | 0.693 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -23.7 | 178.8 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | K187 N188 A189 | K187-T191 WeakPolarHBondContact O-CG2 3.32Å; K187-T191 PolarHBondContact O-N 3.14Å; N188-T191 PolarHBondContact O-OG1 2.78Å; A189-T191 PolarHBondContact O-N 3Å |
| 192 | N | 87.1 | Confident | 90.8 | Very high | 77 Ų | 77 | 42 Ų | 42 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | 67.2 | 169.9 | -169.6 | -8.8 | 0 | 0 | 0 | 109.3 | A189 S190 E194 V195 N196 | A189-N192 CarbonylContact O-C 3.44Å; A189-N192 PolarHBondContact O-N 3.48Å; S190-N192 PolarHBondContact O-N 2.9Å; N192-E194 PolarHBondContact O-N 3.11Å; N192-V195 PolarHBondContact O-N 2.96Å; N192-N196 WeakPolarHBondContact O-CB 3.42Å; N192-N196 PolarHBondContact O-N 3.32Å |
| 193 | L | 85.8 | Confident | 90.9 | Very high | 19 Ų | 19 | 42 Ų | 42 | 10% | 0.099 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -33.6 | -174.2 | -177.6 | 61.8 | 0 | 0 | 0 | 112.5 | S190 N196 I197 C200 L242 M256 F259 | S190-L193 PolarHBondContact O-N 2.77Å; L193-N196 PolarHBondContact O-N 3.22Å; L193-I197 WeakPolarHBondContact O-CA 3.46Å; L193-I197 VanDerWaalsContact O-CB 3.31Å; L193-I197 WeakPolarHBondContact O-CB 3.42Å; L193-I197 PolarHBondContact O-N 3.08Å; L193-C200 HydrophobicContact CD1-CB 4.03Å; L193-L242 HydrophobicContact CD2-CB 4.23Å; L193-M256 HydrophobicContact CD2-CE 4.14Å; L193-F259 HydrophobicContact CD1-CD1 4.18Å; L193-F259 HydrophobicContact CD1-CE1 3.64Å; L193-F259 HydrophobicContact CD1-CE2 4.23Å; L193-F259 HydrophobicContact CD1-CZ 3.65Å; L193-F259 HydrophobicContact CD2-CD1 4.11Å; L193-F259 HydrophobicContact CD2-CE1 3.64Å; L193-F259 HydrophobicContact CD2-CZ 4.41Å; L193-F259 HydrophobicContact CG-CE1 4.3Å |
| 194 | E | 82.4 | Confident | 90.9 | Very high | 143 Ų | 143 | 41.4 Ų | 41.4 | 67% | 0.668 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -47 | -178.8 | -59.7 | -168.6 | 158.9 | 0 | 0 | 112.3 | N192 L248 | N192-E194 PolarHBondContact O-N 3.11Å; E194-L248 HydrophobicContact CG-CD1 4.3Å |
| 195 | V | 84.9 | Confident | 90.8 | Very high | 102 Ų | 102 | 41.9 Ų | 41.9 | 62% | 0.618 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -37.5 | 179.4 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | N192 | N192-V195 PolarHBondContact O-N 2.96Š|
| 196 | N | 88.5 | Confident | 90.8 | Very high | 15 Ų | 15 | 41 Ų | 41 | 8% | 0.08 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -101.9 | 20.1 | -170.8 | -61.9 | -37 | 0 | 0 | 0 | 113.7 | A189 N192 L193 D198 P199 C200 | A189-N196 HydrophobicContact CB-CB 4.2Å; A189-N196 WeakPolarHBondContact O-CB 3.26Å; A189-N196 PolarHBondContact O-ND2 3.4Å; N192-N196 WeakPolarHBondContact O-CB 3.42Å; N192-N196 PolarHBondContact O-N 3.32Å; L193-N196 PolarHBondContact O-N 3.22Å; N196-D198 VanDerWaalsContact C-N 3.34Å; N196-D198 PolarHBondContact O-N 3.44Å; N196-P199 HydrophobicContact CB-CB 4.35Å; N196-P199 HydrophobicContact CB-CG 4.31Å; N196-P199 WeakPolarHBondContact O-CB 3.45Å; N196-P199 VanDerWaalsContact O-CD 3.25Å; N196-P199 WeakPolarHBondContact O-CD 3.31Å; N196-C200 WeakPolarHBondContact O-CB 3.45Å; N196-C200 PolarHBondContact O-N 3.09Å; N196-C200 PolarHBondContact O-SG 3.29Å |
| 197 | I | 88.7 | Confident | 90.7 | Very high | 17 Ų | 17 | 41.1 Ų | 41.1 | 9% | 0.087 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -42.7 | -174.9 | -167.6 | 164.3 | 0 | 0 | 0 | 112.6 | L193 C200 I201 L255 M256 | L193-I197 WeakPolarHBondContact O-CA 3.46Å; L193-I197 VanDerWaalsContact O-CB 3.31Å; L193-I197 WeakPolarHBondContact O-CB 3.42Å; L193-I197 PolarHBondContact O-N 3.08Å; I197-C200 WeakPolarHBondContact O-CB 3.43Å; I197-C200 PolarHBondContact O-N 3.43Å; I197-I201 HydrophobicContact CG1-CD1 4.18Å; I197-I201 VanDerWaalsContact O-CG1 3.29Å; I197-I201 WeakPolarHBondContact O-CG1 3.42Å; I197-I201 PolarHBondContact O-N 3.25Å; I197-L255 HydrophobicContact CD1-CB 3.73Å; I197-L255 HydrophobicContact CG1-CB 4.23Å; I197-L255 HydrophobicContact CG2-CB 4.47Å; I197-L255 HydrophobicContact CG2-CD1 3.86Å; I197-M256 HydrophobicContact CD1-CE 4.24Å |
| 198 | D | 89.2 | Confident | 90.6 | Very high | 62 Ų | 62 | 38.1 Ų | 38.1 | 33% | 0.332 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.6 | -48.4 | 177.1 | -179.9 | 72.3 | 0 | 0 | 0 | 112.1 | N196 C200 I201 K202 | N196-D198 VanDerWaalsContact C-N 3.34Å; N196-D198 PolarHBondContact O-N 3.44Å; D198-C200 VanDerWaalsContact C-N 3.29Å; D198-C200 PolarHBondContact O-N 2.83Å; D198-I201 PolarHBondContact O-N 2.95Å; D198-I201 VanDerWaalsContact O-N 3.15Å; D198-K202 PolarHBondContact O-N 2.92Å; D198-K202 WeakPolarHBondContact OD2-CE 3.34Å; D198-K202 IonicContact OD2-NZ 3.09Å; D198-K202 PolarHBondContact OD2-NZ 3.41Å |
| 199 | P | 91.9 | Very high | 90.4 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 5% | 0.045 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -50.9 | -43.9 | 166.7 | -28.2 | 31.4 | 0 | 0 | 0 | 113.6 | F104 T105 N196 I201 K202 L203 | F104-P199 HydrophobicContact CB-CB 4.43Å; T105-P199 HydrophobicContact CG2-CG 4.13Å; N196-P199 HydrophobicContact CB-CB 4.35Å; N196-P199 HydrophobicContact CB-CG 4.31Å; N196-P199 WeakPolarHBondContact O-CB 3.45Å; N196-P199 VanDerWaalsContact O-CD 3.25Å; N196-P199 WeakPolarHBondContact O-CD 3.31Å; P199-I201 PolarHBondContact O-N 3.3Å; P199-K202 PolarHBondContact O-N 3.36Å; P199-L203 VanDerWaalsContact O-CB 3.28Å; P199-L203 WeakPolarHBondContact O-CB 3.07Å; P199-L203 VanDerWaalsContact O-CG 3.25Å; P199-L203 WeakPolarHBondContact O-CG 3.16Å; P199-L203 PolarHBondContact O-N 3.23Å |
| 200 | C | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -37.5 | 178.4 | -69.4 | 0 | 0 | 0 | 0 | 112.4 | F186 L193 N196 I197 D198 S204 F259 | F186-C200 HydrophobicContact CE2-CB 4.01Å; F186-C200 WeakPolarHBondContact CE2-O 3.48Å; L193-C200 HydrophobicContact CD1-CB 4.03Å; N196-C200 WeakPolarHBondContact O-CB 3.45Å; N196-C200 PolarHBondContact O-N 3.09Å; N196-C200 PolarHBondContact O-SG 3.29Å; I197-C200 WeakPolarHBondContact O-CB 3.43Å; I197-C200 PolarHBondContact O-N 3.43Å; D198-C200 VanDerWaalsContact C-N 3.29Å; D198-C200 PolarHBondContact O-N 2.83Å; C200-S204 VanDerWaalsContact O-CB 3.32Å; C200-S204 WeakPolarHBondContact O-CB 3.34Å; C200-S204 PolarHBondContact O-N 3.27Å; C200-S204 PolarHBondContact O-OG 3.26Å; C200-F259 HydrophobicContact CB-CD2 4.44Å; C200-F259 HydrophobicContact CB-CE2 3.8Å; C200-F259 HydrophobicContact CB-CZ 4.36Å |
| 201 | I | 92.3 | Very high | 90.2 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.9 | -42.8 | 173 | -69.7 | 165.4 | 0 | 0 | 0 | 110.5 | I197 D198 P199 S204 K205 L255 V258 F259 | I197-I201 HydrophobicContact CG1-CD1 4.18Å; I197-I201 VanDerWaalsContact O-CG1 3.29Å; I197-I201 WeakPolarHBondContact O-CG1 3.42Å; I197-I201 PolarHBondContact O-N 3.25Å; D198-I201 PolarHBondContact O-N 2.95Å; D198-I201 VanDerWaalsContact O-N 3.15Å; P199-I201 PolarHBondContact O-N 3.3Å; I201-S204 PolarHBondContact O-OG 3.02Å; I201-K205 HydrophobicContact CG2-CD 4.31Å; I201-K205 WeakPolarHBondContact O-CB 3.4Å; I201-K205 VanDerWaalsContact O-CG 3.26Å; I201-K205 WeakPolarHBondContact O-CG 2.94Å; I201-K205 PolarHBondContact O-N 3.1Å; I201-K205 VanDerWaalsContact O-N 3.12Å; I201-L255 HydrophobicContact CD1-CB 4.22Å; I201-L255 HydrophobicContact CD1-CD2 4.1Å; I201-V258 HydrophobicContact CD1-CG1 4.24Å; I201-V258 HydrophobicContact CG2-CG1 4.46Å; I201-F259 HydrophobicContact CG1-CB 4.35Å; I201-F259 HydrophobicContact CG1-CD2 4.09Å |
| 202 | K | 92.8 | Very high | 90 | Very high | 38 Ų | 38 | 33.3 Ų | 33.3 | 17% | 0.165 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.2 | -43.5 | 177.3 | -73.7 | 170.5 | 175.4 | 160.1 | 0 | 111.5 | N110 W149 D198 P199 K205 L206 | N110-K202 PolarHBondContact OD1-NZ 3.4Å; W149-K202 HydrophobicContact CB-CB 4.21Å; W149-K202 HydrophobicContact CG-CB 4.49Å; D198-K202 PolarHBondContact O-N 2.92Å; D198-K202 WeakPolarHBondContact OD2-CE 3.34Å; D198-K202 IonicContact OD2-NZ 3.09Å; D198-K202 PolarHBondContact OD2-NZ 3.41Å; P199-K202 PolarHBondContact O-N 3.36Å; K202-K205 WeakPolarHBondContact O-CB 3.32Å; K202-K205 PolarHBondContact O-N 3.44Å; K202-L206 WeakPolarHBondContact O-CB 3.49Å; K202-L206 PolarHBondContact O-N 2.89Å |
| 203 | L | 95.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | 177.9 | -73.9 | 165.8 | 0 | 0 | 0 | 112.2 | W149 V182 C185 F186 A189 P199 K205 L206 L207 | W149-L203 HydrophobicContact CD2-CD2 3.82Å; W149-L203 HydrophobicContact CD2-CG 4.4Å; W149-L203 HydrophobicContact CE3-CD2 3.81Å; W149-L203 HydrophobicContact CG-CD2 4.46Å; W149-L203 HydrophobicContact CH2-CD2 4.16Å; W149-L203 HydrophobicContact CZ2-CD2 4.16Å; W149-L203 HydrophobicContact CZ3-CD2 3.98Å; V182-L203 HydrophobicContact CG1-CD2 4.31Å; C185-L203 HydrophobicContact CB-CD1 4.49Å; C185-L203 HydrophobicContact CB-CD2 4.28Å; F186-L203 HydrophobicContact CB-CB 4.2Å; F186-L203 HydrophobicContact CB-CD1 4.45Å; F186-L203 HydrophobicContact CD2-CB 3.64Å; F186-L203 HydrophobicContact CD2-CD1 4.41Å; F186-L203 HydrophobicContact CE2-CB 4.47Å; F186-L203 HydrophobicContact CG-CB 4.26Å; A189-L203 HydrophobicContact CB-CD1 3.86Å; P199-L203 VanDerWaalsContact O-CB 3.28Å; P199-L203 WeakPolarHBondContact O-CB 3.07Å; P199-L203 VanDerWaalsContact O-CG 3.25Å; P199-L203 WeakPolarHBondContact O-CG 3.16Å; P199-L203 PolarHBondContact O-N 3.23Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-K205 PolarHBondContact O-N 3.13Å; L203-L206 HydrophobicContact CD2-CD2 4.41Å; L203-L206 WeakPolarHBondContact O-CB 3.46Å; L203-L206 PolarHBondContact O-N 3.31Å; L203-L206 VanDerWaalsContact O-N 3.13Å; L203-L207 WeakPolarHBondContact O-CB 3.41Å; L203-L207 WeakPolarHBondContact O-CG 3.2Å; L203-L207 PolarHBondContact O-N 3.33Å |
| 204 | S | 94.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.2 | -37.4 | 174 | 59.8 | 0 | 0 | 0 | 0 | 112.1 | C200 I201 Y208 | C200-S204 VanDerWaalsContact O-CB 3.32Å; C200-S204 WeakPolarHBondContact O-CB 3.34Å; C200-S204 PolarHBondContact O-N 3.27Å; C200-S204 PolarHBondContact O-OG 3.26Å; I201-S204 PolarHBondContact O-OG 3.02Å; S204-Y208 VanDerWaalsContact O-CB 3.26Å; S204-Y208 WeakPolarHBondContact O-CB 3.47Å; S204-Y208 PolarHBondContact O-N 3.39Å |
| 205 | K | 93 | Very high | 88.5 | Confident | 68 Ų | 68 | 25.7 Ų | 25.7 | 30% | 0.296 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -65.7 | -39.1 | 171.4 | -74.1 | 170.7 | -176.2 | 171 | 0 | 112.4 | I201 K202 L203 S209 | I201-K205 HydrophobicContact CG2-CD 4.31Å; I201-K205 WeakPolarHBondContact O-CB 3.4Å; I201-K205 VanDerWaalsContact O-CG 3.26Å; I201-K205 WeakPolarHBondContact O-CG 2.94Å; I201-K205 PolarHBondContact O-N 3.1Å; I201-K205 VanDerWaalsContact O-N 3.12Å; K202-K205 WeakPolarHBondContact O-CB 3.32Å; K202-K205 PolarHBondContact O-N 3.44Å; L203-K205 VanDerWaalsContact C-N 3.32Å; L203-K205 PolarHBondContact O-N 3.13Å; K205-S209 WeakPolarHBondContact O-CB 3.07Å; K205-S209 PolarHBondContact O-N 2.81Å; K205-S209 PolarHBondContact O-OG 3.31Å |
| 206 | L | 94 | Very high | 87.4 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.7 | -52.4 | 176.5 | 175.6 | 62 | 0 | 0 | 0 | 109.9 | W149 L152 R153 L156 V182 K202 L203 Y208 S209 C210 | W149-L206 HydrophobicContact CE3-CD2 4.04Å; L152-L206 HydrophobicContact CD2-CD2 3.91Å; L152-L206 HydrophobicContact CG-CD1 4.33Å; R153-L206 HydrophobicContact CB-CD1 3.81Å; R153-L206 HydrophobicContact CG-CD1 4.33Å; L156-L206 HydrophobicContact CD1-CD1 4Å; V182-L206 HydrophobicContact CG1-CD2 3.75Å; V182-L206 HydrophobicContact CG1-CG 4.14Å; V182-L206 HydrophobicContact CG2-CD2 4.18Å; K202-L206 WeakPolarHBondContact O-CB 3.49Å; K202-L206 PolarHBondContact O-N 2.89Å; L203-L206 HydrophobicContact CD2-CD2 4.41Å; L203-L206 WeakPolarHBondContact O-CB 3.46Å; L203-L206 PolarHBondContact O-N 3.31Å; L203-L206 VanDerWaalsContact O-N 3.13Å; L206-Y208 PolarHBondContact O-N 2.83Å; L206-S209 CarbonylContact O-C 3.57Å; L206-S209 WeakPolarHBondContact O-CA 3.25Å; L206-S209 WeakPolarHBondContact O-CB 3.42Å; L206-S209 PolarHBondContact O-N 3.07Å; L206-C210 PolarHBondContact O-N 2.84Å; L206-C210 PolarHBondContact O-SG 2.6Å |
| 207 | L | 93.9 | Very high | 85.9 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55 | -51.5 | 175.9 | -74.8 | 173.9 | 0 | 0 | 0 | 111.9 | L179 V182 I183 F186 L203 S209 C210 F211 L266 | L179-L207 HydrophobicContact CD1-CD2 3.99Å; V182-L207 HydrophobicContact CB-CD2 4.31Å; V182-L207 HydrophobicContact CG1-CD2 3.64Å; V182-L207 HydrophobicContact CG1-CG 4Å; I183-L207 HydrophobicContact CG1-CD2 3.86Å; F186-L207 HydrophobicContact CB-CD1 3.88Å; F186-L207 HydrophobicContact CD1-CD1 3.49Å; F186-L207 VanDerWaalsContact CD1-CD1 3.49Å; F186-L207 HydrophobicContact CE1-CD1 4.22Å; F186-L207 HydrophobicContact CG-CD1 3.76Å; L203-L207 WeakPolarHBondContact O-CB 3.41Å; L203-L207 WeakPolarHBondContact O-CG 3.2Å; L203-L207 PolarHBondContact O-N 3.33Å; L207-S209 PolarHBondContact O-N 2.91Å; L207-C210 WeakPolarHBondContact O-CB 3.19Å; L207-C210 PolarHBondContact O-N 3.39Å; L207-F211 HydrophobicContact CD2-CE2 4.31Å; L207-F211 WeakPolarHBondContact O-CD2 3.4Å; L207-F211 PolarHBondContact O-N 3.37Å; L207-L266 HydrophobicContact CB-CD1 4.27Å |
| 208 | Y | 92 | Very high | 84.5 | Confident | 49 Ų | 49 | 34.5 Ų | 34.5 | 19% | 0.192 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.2 | -42.4 | 174.9 | 177 | -85.2 | 0 | 0 | 0 | 111.6 | S204 L206 N212 K265 A269 | S204-Y208 VanDerWaalsContact O-CB 3.26Å; S204-Y208 WeakPolarHBondContact O-CB 3.47Å; S204-Y208 PolarHBondContact O-N 3.39Å; L206-Y208 PolarHBondContact O-N 2.83Å; Y208-N212 WeakPolarHBondContact CE1-ND2 3.09Å; Y208-N212 VanDerWaalsContact O-CB 3.31Å; Y208-N212 WeakPolarHBondContact O-CB 3.45Å; Y208-N212 PolarHBondContact O-N 2.96Å; Y208-N212 PolarHBondContact OH-ND2 2.89Å; Y208-N212 VanDerWaalsContact OH-ND2 3.14Å; Y208-K265 HydrophobicContact CE2-CD 4.34Å; Y208-K265 HydrophobicContact CE2-CG 3.97Å; Y208-K265 WeakPolarHBondContact OH-CE 3.42Å; Y208-A269 HydrophobicContact CD2-CB 3.74Å; Y208-A269 HydrophobicContact CE2-CB 3.57Å |
| 209 | S | 89.5 | Confident | 82.8 | Confident | 7 Ų | 7 | 31.8 Ų | 31.8 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.4 | -41.1 | 178.4 | -53 | 0 | 0 | 0 | 0 | 111.5 | R153 K205 L206 L207 N212 L213 | R153-S209 PolarHBondContact NE-OG 3.34Å; K205-S209 WeakPolarHBondContact O-CB 3.07Å; K205-S209 PolarHBondContact O-N 2.81Å; K205-S209 PolarHBondContact O-OG 3.31Å; L206-S209 CarbonylContact O-C 3.57Å; L206-S209 WeakPolarHBondContact O-CA 3.25Å; L206-S209 WeakPolarHBondContact O-CB 3.42Å; L206-S209 PolarHBondContact O-N 3.07Å; L207-S209 PolarHBondContact O-N 2.91Å; S209-N212 PolarHBondContact O-N 3.43Å; S209-L213 WeakPolarHBondContact O-CB 3.35Å; S209-L213 WeakPolarHBondContact O-CD1 3.47Å; S209-L213 WeakPolarHBondContact O-CG 3.43Å; S209-L213 PolarHBondContact O-N 3.47Å |
| 210 | C | 89.4 | Confident | 81 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.6 | -50.9 | 176.3 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | L179 L206 L207 N212 L213 V214 | L179-C210 HydrophobicContact CD1-CB 3.71Å; L206-C210 PolarHBondContact O-N 2.84Å; L206-C210 PolarHBondContact O-SG 2.6Å; L207-C210 WeakPolarHBondContact O-CB 3.19Å; L207-C210 PolarHBondContact O-N 3.39Å; C210-N212 PolarHBondContact O-N 2.87Å; C210-L213 PolarHBondContact O-N 3.17Å; C210-V214 WeakPolarHBondContact O-CG2 3.2Å; C210-V214 PolarHBondContact O-N 3.5Å |
| 211 | F | 87.3 | Confident | 79.3 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.4 | -38.4 | -179.8 | -74.6 | -70.8 | 0 | 0 | 0 | 112.8 | L179 L207 I228 Y229 A232 L270 | L179-F211 HydrophobicContact CD1-CE2 4.32Å; L179-F211 HydrophobicContact CD1-CZ 4.41Å; L179-F211 HydrophobicContact CD2-CE1 3.93Å; L179-F211 HydrophobicContact CD2-CZ 3.9Å; L179-F211 HydrophobicContact CG-CZ 4.4Å; L207-F211 HydrophobicContact CD2-CE2 4.31Å; L207-F211 WeakPolarHBondContact O-CD2 3.4Å; L207-F211 PolarHBondContact O-N 3.37Å; F211-I228 HydrophobicContact CE1-CG2 4.29Å; F211-I228 HydrophobicContact CZ-CG2 4.22Å; F211-Y229 HydrophobicContact CD1-CD1 4.49Å; F211-Y229 AromaticContact CD1-CE1 3.73Å; F211-Y229 HydrophobicContact CD1-CE1 3.73Å; F211-Y229 HydrophobicContact CD1-CE2 4.38Å; F211-Y229 AromaticContact CD1-CZ 3.66Å; F211-Y229 HydrophobicContact CE1-CD1 4.02Å; F211-Y229 HydrophobicContact CE1-CD2 4.4Å; F211-Y229 AromaticContact CE1-CE1 3.68Å; F211-Y229 HydrophobicContact CE1-CE1 3.68Å; F211-Y229 HydrophobicContact CE1-CE2 4.08Å; F211-Y229 HydrophobicContact CE1-CG 4.37Å; F211-Y229 AromaticContact CE1-CZ 3.72Å; F211-A232 HydrophobicContact CE2-CB 3.84Å; F211-A232 HydrophobicContact CZ-CB 3.64Å; F211-L270 HydrophobicContact CD1-CD2 4.08Å; F211-L270 HydrophobicContact CD2-CD2 3.44Å; F211-L270 VanDerWaalsContact CD2-CD2 3.44Å; F211-L270 HydrophobicContact CE1-CD2 4.07Å; F211-L270 HydrophobicContact CE2-CD2 3.46Å; F211-L270 VanDerWaalsContact CE2-CD2 3.46Å; F211-L270 HydrophobicContact CG-CD2 3.78Å; F211-L270 HydrophobicContact CZ-CD2 3.78Å |
| 212 | N | 83.8 | Confident | 78 | Confident | 70 Ų | 70 | 39.9 Ų | 39.9 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -75 | -33.3 | 178.8 | -76.1 | 16.2 | 0 | 0 | 0 | 113.7 | Y208 S209 C210 | Y208-N212 WeakPolarHBondContact CE1-ND2 3.09Å; Y208-N212 VanDerWaalsContact O-CB 3.31Å; Y208-N212 WeakPolarHBondContact O-CB 3.45Å; Y208-N212 PolarHBondContact O-N 2.96Å; Y208-N212 PolarHBondContact OH-ND2 2.89Å; Y208-N212 VanDerWaalsContact OH-ND2 3.14Å; S209-N212 PolarHBondContact O-N 3.43Å; C210-N212 PolarHBondContact O-N 2.87Å |
| 213 | L | 82.6 | Confident | 76.7 | Confident | 45 Ų | 45 | 43.4 Ų | 43.4 | 24% | 0.236 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -79.9 | -27.5 | -174.7 | -71.2 | 171.3 | 0 | 0 | 0 | 114.1 | K157 A160 R168 F171 S209 C210 G215 | K157-L213 HydrophobicContact CB-CD1 4.5Å; K157-L213 HydrophobicContact CG-CD1 3.8Å; K157-L213 HydrophobicContact CG-CD2 4.5Å; A160-L213 HydrophobicContact CB-CB 4.08Å; A160-L213 HydrophobicContact CB-CD1 4.23Å; A160-L213 HydrophobicContact CB-CD2 3.82Å; A160-L213 HydrophobicContact CB-CG 4.26Å; R168-L213 PolarHBondContact NH2-O 3.14Å; F171-L213 HydrophobicContact CE1-CB 4.49Å; F171-L213 HydrophobicContact CZ-CB 4.11Å; S209-L213 WeakPolarHBondContact O-CB 3.35Å; S209-L213 WeakPolarHBondContact O-CD1 3.47Å; S209-L213 WeakPolarHBondContact O-CG 3.43Å; S209-L213 PolarHBondContact O-N 3.47Å; C210-L213 PolarHBondContact O-N 3.17Å; L213-G215 PolarHBondContact O-N 3.47Å |
| 214 | V | 75.7 | Confident | 75.6 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -37 | 174.4 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | R168 I175 C210 D218 I219 | R168-V214 PolarHBondContact NH2-O 2.98Å; I175-V214 HydrophobicContact CB-CG2 4.07Å; I175-V214 HydrophobicContact CG1-CG2 4.14Å; I175-V214 HydrophobicContact CG2-CG2 3.54Å; C210-V214 WeakPolarHBondContact O-CG2 3.2Å; C210-V214 PolarHBondContact O-N 3.5Å; V214-D218 HydrophobicContact CG1-CB 4.15Å; V214-D218 WeakPolarHBondContact O-CB 3.43Å; V214-I219 HydrophobicContact CB-CG1 4.16Å; V214-I219 HydrophobicContact CG1-CB 4.37Å; V214-I219 HydrophobicContact CG1-CG1 3.57Å |
| 215 | G | 65.1 | Low | 74.7 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | trans | 79.9 | 142.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L213 N217 D218 I219 | L213-G215 PolarHBondContact O-N 3.47Å; G215-N217 PolarHBondContact O-N 3.21Å; G215-D218 PolarHBondContact O-N 2.88Å; G215-I219 VanDerWaalsContact O-CG1 3.29Å; G215-I219 WeakPolarHBondContact O-CG1 3.49Å | ||
| 216 | K | 62.3 | Low | 74.3 | Confident | 114 Ų | 114 | 50 Ų | 50 | 50% | 0.496 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -38.4 | -167.9 | -67.1 | -179.4 | -177.1 | 170.6 | 0 | 113.9 | E433 | K216-E433 IonicContact NZ-OE1 3.04Å; K216-E433 PolarHBondContact NZ-OE1 3.22Å; K216-E433 VanDerWaalsContact NZ-OE1 3.08Å; K216-E433 IonicContact NZ-OE2 3.29Å |
| 217 | N | 56.8 | Low | 73.9 | Confident | 148 Ų | 148 | 55.8 Ų | 55.8 | 79% | 0.791 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -32.1 | -174.6 | -64.3 | -9 | 0 | 0 | 0 | 114.5 | G215 I219 | G215-N217 PolarHBondContact O-N 3.21Å; N217-I219 VanDerWaalsContact C-N 3.33Å |
| 218 | D | 59.2 | Low | 73.7 | Confident | 57 Ų | 57 | 56.1 Ų | 56.1 | 31% | 0.305 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -80.7 | -16.9 | -175.7 | -84.5 | -13.2 | 0 | 0 | 0 | 112.2 | R168 N172 V214 G215 A220 A221 | R168-D218 IonicContact CZ-OD2 3.03Å; R168-D218 IonicContact NE-OD2 3.46Å; R168-D218 PolarHBondContact NE-OD2 3.29Å; R168-D218 IonicContact NH2-OD2 2.88Å; R168-D218 PolarHBondContact NH2-OD2 3.45Å; N172-D218 WeakPolarHBondContact ND2-CB 3.3Å; N172-D218 PolarHBondContact ND2-OD2 2.9Å; V214-D218 HydrophobicContact CG1-CB 4.15Å; V214-D218 WeakPolarHBondContact O-CB 3.43Å; G215-D218 PolarHBondContact O-N 2.88Å; D218-A220 PolarHBondContact O-N 3.46Å; D218-A221 WeakPolarHBondContact O-CB 3.21Å; D218-A221 PolarHBondContact O-N 2.93Å; D218-A221 VanDerWaalsContact O-N 3.1Å |
| 219 | I | 54.4 | Low | 73.5 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -63.6 | -24.3 | 178.8 | -58.4 | 159.3 | 0 | 0 | 0 | 111.4 | V214 G215 N217 A221 L222 K225 Y229 | V214-I219 HydrophobicContact CB-CG1 4.16Å; V214-I219 HydrophobicContact CG1-CB 4.37Å; V214-I219 HydrophobicContact CG1-CG1 3.57Å; G215-I219 VanDerWaalsContact O-CG1 3.29Å; G215-I219 WeakPolarHBondContact O-CG1 3.49Å; N217-I219 VanDerWaalsContact C-N 3.33Å; I219-A221 PolarHBondContact O-N 3.37Å; I219-A221 VanDerWaalsContact O-N 3.14Å; I219-L222 WeakPolarHBondContact O-CB 3.37Å; I219-L222 PolarHBondContact O-N 2.86Å; I219-K225 HydrophobicContact CG2-CD 3.72Å; I219-K225 HydrophobicContact CG2-CG 3.88Å; I219-Y229 WeakPolarHBondContact CD1-OH 3.36Å; I219-Y229 HydrophobicContact CG2-CE2 4Å |
| 220 | A | 54.5 | Low | 73.6 | Confident | 87 Ų | 87 | 57 Ų | 57 | 72% | 0.719 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -59.7 | -21.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D218 | D218-A220 PolarHBondContact O-N 3.46Š|
| 221 | A | 58 | Low | 73.7 | Confident | 76 Ų | 76 | 58.1 Ų | 58.1 | 63% | 0.628 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -86.7 | -2.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | D218 I219 | D218-A221 WeakPolarHBondContact O-CB 3.21Å; D218-A221 PolarHBondContact O-N 2.93Å; D218-A221 VanDerWaalsContact O-N 3.1Å; I219-A221 PolarHBondContact O-N 3.37Å; I219-A221 VanDerWaalsContact O-N 3.14Å |
| 222 | L | 63.5 | Low | 74 | Confident | 18 Ų | 18 | 58 Ų | 58 | 9% | 0.094 | 34% | 0.337 | C | S | . | . | trans | -78.9 | 121.3 | -178.7 | -141.8 | 86.2 | 0 | 0 | 0 | 110.6 | A176 I219 I228 | A176-L222 HydrophobicContact CB-CD1 3.5Å; A176-L222 VanDerWaalsContact CB-CD1 3.5Å; A176-L222 HydrophobicContact CB-CG 3.81Å; I219-L222 WeakPolarHBondContact O-CB 3.37Å; I219-L222 PolarHBondContact O-N 2.86Å; L222-I228 HydrophobicContact CD2-CD1 3.53Å; L222-I228 HydrophobicContact CG-CD1 4.44Å | ||
| 223 | V | 65.4 | Low | 74.5 | Confident | 113 Ų | 113 | 54.6 Ų | 54.6 | 69% | 0.685 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 137.8 | 168.5 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | K225 | V223-K225 PolarHBondContact O-N 2.94Š|
| 224 | N | 72.4 | Confident | 75 | Confident | 95 Ų | 95 | 56.4 Ų | 56.4 | 51% | 0.508 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 35 | -179.2 | -64.3 | 12.3 | 0 | 0 | 0 | 115.8 | T226 E227 I228 | N224-T226 VanDerWaalsContact C-N 3.34Å; N224-T226 PolarHBondContact O-N 3.33Å; N224-E227 HydrophobicContact CB-CB 4.5Å; N224-E227 WeakPolarHBondContact CB-OE2 3.49Å; N224-E227 PolarHBondContact ND2-OE2 3.43Å; N224-E227 PolarHBondContact O-N 2.88Å; N224-I228 PolarHBondContact O-N 3.07Å |
| 225 | K | 76.6 | Confident | 75.9 | Confident | 54 Ų | 54 | 56.4 Ų | 56.4 | 24% | 0.235 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -45.8 | -50.8 | 179.5 | -176.8 | -174.3 | 175.3 | 178.1 | 0 | 113.8 | I219 V223 I228 Y229 P275 | I219-K225 HydrophobicContact CG2-CD 3.72Å; I219-K225 HydrophobicContact CG2-CG 3.88Å; V223-K225 PolarHBondContact O-N 2.94Å; K225-I228 PolarHBondContact O-N 2.99Å; K225-Y229 HydrophobicContact CG-CD2 4.03Å; K225-Y229 HydrophobicContact CG-CE2 4.12Å; K225-Y229 WeakPolarHBondContact O-CD2 3.22Å; K225-Y229 PolarHBondContact O-N 2.8Å; K225-Y229 VanDerWaalsContact O-N 3.16Å; K225-P275 HydrophobicContact CD-CB 4.32Å; K225-P275 HydrophobicContact CD-CG 4.02Å; K225-P275 VanDerWaalsContact CE-CG 3.48Å; K225-P275 HydrophobicContact CG-CG 4.16Å |
| 226 | T | 83.4 | Confident | 77.3 | Confident | 59 Ų | 59 | 55.1 Ų | 55.1 | 36% | 0.362 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -53.5 | -176.4 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | N224 I228 Y229 E230 | N224-T226 VanDerWaalsContact C-N 3.34Å; N224-T226 PolarHBondContact O-N 3.33Å; T226-I228 PolarHBondContact O-N 3Å; T226-Y229 PolarHBondContact O-N 3.45Å; T226-Y229 VanDerWaalsContact O-N 3.09Å; T226-E230 HydrophobicContact CG2-CG 4.21Å; T226-E230 WeakPolarHBondContact CG2-OE1 3.38Å; T226-E230 VanDerWaalsContact O-CG 3.28Å; T226-E230 WeakPolarHBondContact O-CG 3.22Å; T226-E230 PolarHBondContact O-N 2.98Å |
| 227 | E | 86.3 | Confident | 78.8 | Confident | 122 Ų | 122 | 50.3 Ų | 50.3 | 57% | 0.57 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -56.5 | -38.7 | -179.3 | -62.1 | 176.3 | 171.6 | 0 | 0 | 112.5 | N224 G231 | N224-E227 HydrophobicContact CB-CB 4.5Å; N224-E227 WeakPolarHBondContact CB-OE2 3.49Å; N224-E227 PolarHBondContact ND2-OE2 3.43Å; N224-E227 PolarHBondContact O-N 2.88Å; E227-G231 PolarHBondContact O-N 2.97Å |
| 228 | I | 88.7 | Confident | 80.5 | Confident | 11 Ų | 11 | 46.6 Ų | 46.6 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 178.3 | -72.7 | 172.5 | 0 | 0 | 0 | 111.3 | L179 P180 I183 F211 L222 N224 K225 T226 A232 | L179-I228 HydrophobicContact CD2-CG2 3.33Å; L179-I228 HydrophobicContact CG-CG2 3.84Å; P180-I228 HydrophobicContact CG-CD1 4.26Å; P180-I228 HydrophobicContact CG-CG1 4.3Å; I183-I228 HydrophobicContact CD1-CG2 4Å; I183-I228 WeakPolarHBondContact CD1-O 3.03Å; F211-I228 HydrophobicContact CE1-CG2 4.29Å; F211-I228 HydrophobicContact CZ-CG2 4.22Å; L222-I228 HydrophobicContact CD2-CD1 3.53Å; L222-I228 HydrophobicContact CG-CD1 4.44Å; N224-I228 PolarHBondContact O-N 3.07Å; K225-I228 PolarHBondContact O-N 2.99Å; T226-I228 PolarHBondContact O-N 3Å; I228-A232 WeakPolarHBondContact O-CB 3.35Å; I228-A232 PolarHBondContact O-N 3.5Å |
| 229 | Y | 89.8 | Confident | 82.1 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.3 | -43.2 | 177.7 | -88.9 | -82.3 | 0 | 0 | 0 | 111.8 | F211 I219 K225 T226 G231 A232 F233 L270 S273 C274 P275 | F211-Y229 HydrophobicContact CD1-CD1 4.49Å; F211-Y229 AromaticContact CD1-CE1 3.73Å; F211-Y229 HydrophobicContact CD1-CE1 3.73Å; F211-Y229 HydrophobicContact CD1-CE2 4.38Å; F211-Y229 AromaticContact CD1-CZ 3.66Å; F211-Y229 HydrophobicContact CE1-CD1 4.02Å; F211-Y229 HydrophobicContact CE1-CD2 4.4Å; F211-Y229 AromaticContact CE1-CE1 3.68Å; F211-Y229 HydrophobicContact CE1-CE1 3.68Å; F211-Y229 HydrophobicContact CE1-CE2 4.08Å; F211-Y229 HydrophobicContact CE1-CG 4.37Å; F211-Y229 AromaticContact CE1-CZ 3.72Å; I219-Y229 WeakPolarHBondContact CD1-OH 3.36Å; I219-Y229 HydrophobicContact CG2-CE2 4Å; K225-Y229 HydrophobicContact CG-CD2 4.03Å; K225-Y229 HydrophobicContact CG-CE2 4.12Å; K225-Y229 WeakPolarHBondContact O-CD2 3.22Å; K225-Y229 PolarHBondContact O-N 2.8Å; K225-Y229 VanDerWaalsContact O-N 3.16Å; T226-Y229 PolarHBondContact O-N 3.45Å; T226-Y229 VanDerWaalsContact O-N 3.09Å; Y229-G231 VanDerWaalsContact C-N 3.35Å; Y229-G231 PolarHBondContact O-N 3.43Å; Y229-A232 PolarHBondContact O-N 3.41Å; Y229-F233 HydrophobicContact CD1-CE2 4.21Å; Y229-F233 WeakPolarHBondContact O-CD2 3.38Å; Y229-F233 PolarHBondContact O-N 3.4Å; Y229-L270 HydrophobicContact CD1-CD2 4.42Å; Y229-L270 HydrophobicContact CE1-CD2 4.36Å; Y229-S273 PolarHBondContact OH-O 2.62Å; Y229-S273 VanDerWaalsContact OH-O 3.11Å; Y229-S273 PolarHBondContact OH-OG 2.67Å; Y229-C274 HydrophobicContact CD1-CB 3.46Å; Y229-C274 VanDerWaalsContact CD1-CB 3.46Å; Y229-C274 VanDerWaalsContact CE1-CA 3.43Å; Y229-C274 HydrophobicContact CE1-CB 3.71Å; Y229-C274 HydrophobicContact CG-CB 4.07Å; Y229-P275 HydrophobicContact CD2-CG 4.36Å |
| 230 | E | 91 | Very high | 83.8 | Confident | 73 Ų | 73 | 43.7 Ų | 43.7 | 34% | 0.341 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.6 | -48.8 | 176.1 | -65.9 | -173.7 | 166.6 | 0 | 0 | 110.8 | T226 A232 F233 T234 T278 F282 | T226-E230 HydrophobicContact CG2-CG 4.21Å; T226-E230 WeakPolarHBondContact CG2-OE1 3.38Å; T226-E230 VanDerWaalsContact O-CG 3.28Å; T226-E230 WeakPolarHBondContact O-CG 3.22Å; T226-E230 PolarHBondContact O-N 2.98Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 2.82Å; E230-F233 PolarHBondContact O-N 3.2Å; E230-T234 PolarHBondContact O-N 3.24Å; E230-T234 PolarHBondContact O-OG1 3.14Å; E230-T278 HydrophobicContact CG-CG2 3.93Å; E230-F282 HydrophobicContact CB-CE2 4.2Å; E230-F282 HydrophobicContact CB-CZ 4.35Å; E230-F282 HydrophobicContact CG-CE2 3.97Å |
| 231 | G | 91.9 | Very high | 85.4 | Confident | 27 Ų | 27 | 43 Ų | 43 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.9 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E227 Y229 V235 | E227-G231 PolarHBondContact O-N 2.97Å; Y229-G231 VanDerWaalsContact C-N 3.35Å; Y229-G231 PolarHBondContact O-N 3.43Å; G231-V235 VanDerWaalsContact O-CG2 3.25Å; G231-V235 WeakPolarHBondContact O-CG2 3.28Å; G231-V235 PolarHBondContact O-N 3.37Å |
| 232 | A | 93.3 | Very high | 86.7 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.9 | -42.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I183 F211 I228 Y229 E230 A236 L270 | I183-A232 HydrophobicContact CD1-CB 4.13Å; I183-A232 HydrophobicContact CG1-CB 4.48Å; F211-A232 HydrophobicContact CE2-CB 3.84Å; F211-A232 HydrophobicContact CZ-CB 3.64Å; I228-A232 WeakPolarHBondContact O-CB 3.35Å; I228-A232 PolarHBondContact O-N 3.5Å; Y229-A232 PolarHBondContact O-N 3.41Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 2.82Å; A232-A236 WeakPolarHBondContact O-CB 3.28Å; A232-A236 PolarHBondContact O-N 3.14Å; A232-L270 HydrophobicContact CB-CD1 4.18Å; A232-L270 HydrophobicContact CB-CD2 4.03Å |
| 233 | F | 94.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -47.4 | 175.9 | -85.4 | -67.7 | 0 | 0 | 0 | 111.9 | Y229 E230 V235 A236 L237 L267 L270 C274 T278 F282 M286 | Y229-F233 HydrophobicContact CD1-CE2 4.21Å; Y229-F233 WeakPolarHBondContact O-CD2 3.38Å; Y229-F233 PolarHBondContact O-N 3.4Å; E230-F233 PolarHBondContact O-N 3.2Å; F233-V235 VanDerWaalsContact C-N 3.3Å; F233-V235 PolarHBondContact O-N 3.05Å; F233-A236 PolarHBondContact O-N 3.49Å; F233-L237 WeakPolarHBondContact O-CB 3.36Å; F233-L237 WeakPolarHBondContact O-CG 3.27Å; F233-L237 PolarHBondContact O-N 3.25Å; F233-L267 HydrophobicContact CD1-CD1 3.77Å; F233-L267 HydrophobicContact CE1-CD1 3.98Å; F233-L270 HydrophobicContact CD1-CB 4.27Å; F233-L270 HydrophobicContact CD1-CD1 4.45Å; F233-L270 HydrophobicContact CE1-CB 3.67Å; F233-L270 HydrophobicContact CE2-CB 4.35Å; F233-L270 HydrophobicContact CZ-CB 3.72Å; F233-C274 HydrophobicContact CE2-CB 3.61Å; F233-C274 HydrophobicContact CZ-CB 3.98Å; F233-T278 HydrophobicContact CD2-CG2 3.92Å; F233-T278 HydrophobicContact CE2-CG2 4.01Å; F233-F282 HydrophobicContact CB-CD1 3.76Å; F233-F282 HydrophobicContact CB-CD2 4.3Å; F233-F282 HydrophobicContact CB-CE1 3.62Å; F233-F282 HydrophobicContact CB-CE2 4.2Å; F233-F282 HydrophobicContact CB-CG 4.09Å; F233-F282 HydrophobicContact CB-CZ 3.86Å; F233-F282 HydrophobicContact CD2-CD2 4.23Å; F233-F282 HydrophobicContact CD2-CG 4.42Å; F233-F282 HydrophobicContact CG-CD1 4.28Å; F233-F282 HydrophobicContact CG-CD2 4.37Å; F233-F282 HydrophobicContact CG-CG 4.17Å; F233-M286 HydrophobicContact CD1-SD 4.24Å; F233-M286 HydrophobicContact CE1-SD 3.82Å |
| 234 | T | 93 | Very high | 88.5 | Confident | 82 Ų | 82 | 37.2 Ų | 37.2 | 50% | 0.503 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57.4 | -44.9 | 179.3 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | E230 L238 | E230-T234 PolarHBondContact O-N 3.24Å; E230-T234 PolarHBondContact O-OG1 3.14Å; T234-L238 WeakPolarHBondContact O-CB 3.29Å; T234-L238 PolarHBondContact O-N 2.97Å |
| 235 | V | 94.3 | Very high | 88.8 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73.6 | -36.7 | -179.8 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | I183 F186 K187 G231 F233 A239 | I183-V235 HydrophobicContact CG2-CG2 4.28Å; F186-V235 HydrophobicContact CD1-CB 4.32Å; F186-V235 HydrophobicContact CD1-CG1 3.33Å; F186-V235 HydrophobicContact CE1-CG1 3.71Å; F186-V235 HydrophobicContact CG-CG1 4.18Å; K187-V235 HydrophobicContact CB-CG1 4.09Å; K187-V235 HydrophobicContact CB-CG2 3.78Å; K187-V235 HydrophobicContact CD-CG2 4.16Å; K187-V235 HydrophobicContact CG-CG2 3.97Å; G231-V235 VanDerWaalsContact O-CG2 3.25Å; G231-V235 WeakPolarHBondContact O-CG2 3.28Å; G231-V235 PolarHBondContact O-N 3.37Å; F233-V235 VanDerWaalsContact C-N 3.3Å; F233-V235 PolarHBondContact O-N 3.05Å; V235-A239 VanDerWaalsContact O-CB 3.24Å; V235-A239 WeakPolarHBondContact O-CB 3.25Å; V235-A239 PolarHBondContact O-N 2.99Å |
| 236 | A | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.3 | -39.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A232 F233 A239 L240 V263 L266 L270 | A232-A236 WeakPolarHBondContact O-CB 3.28Å; A232-A236 PolarHBondContact O-N 3.14Å; F233-A236 PolarHBondContact O-N 3.49Å; A236-A239 PolarHBondContact O-N 2.92Å; A236-L240 WeakPolarHBondContact O-CB 3.13Å; A236-L240 PolarHBondContact O-N 2.61Å; A236-V263 VanDerWaalsContact O-CG1 3.26Å; A236-V263 WeakPolarHBondContact O-CG1 3.28Å; A236-L266 HydrophobicContact CB-CD2 4.34Å; A236-L270 HydrophobicContact CB-CD1 3.93Å |
| 237 | L | 93.2 | Very high | 86.7 | Confident | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.068 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.2 | -45.2 | 175 | -75.5 | 171.6 | 0 | 0 | 0 | 111.5 | F233 A239 L240 E241 L267 F282 M286 | F233-L237 WeakPolarHBondContact O-CB 3.36Å; F233-L237 WeakPolarHBondContact O-CG 3.27Å; F233-L237 PolarHBondContact O-N 3.25Å; L237-A239 VanDerWaalsContact C-N 3.29Å; L237-A239 PolarHBondContact O-N 3.37Å; L237-L240 WeakPolarHBondContact O-CB 3.39Å; L237-L240 PolarHBondContact O-N 3.1Å; L237-L240 VanDerWaalsContact O-N 3.11Å; L237-E241 WeakPolarHBondContact O-CB 3.45Å; L237-E241 PolarHBondContact O-N 3.5Å; L237-L267 HydrophobicContact CD2-CD1 4.08Å; L237-L267 HydrophobicContact CD2-CD2 4.01Å; L237-L267 HydrophobicContact CG-CD1 4.25Å; L237-F282 HydrophobicContact CD1-CD1 3.9Å; L237-F282 HydrophobicContact CD1-CE1 4.33Å; L237-M286 HydrophobicContact CD1-CG 4.41Å; L237-M286 HydrophobicContact CD2-CG 4.2Å |
| 238 | L | 91.9 | Very high | 85 | Confident | 71 Ų | 71 | 36.7 Ų | 36.7 | 37% | 0.372 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57 | -44.9 | 172.6 | 179.5 | 69 | 0 | 0 | 0 | 111.3 | T234 L240 E241 L242 | T234-L238 WeakPolarHBondContact O-CB 3.29Å; T234-L238 PolarHBondContact O-N 2.97Å; L238-L240 VanDerWaalsContact C-N 3.33Å; L238-L240 PolarHBondContact O-N 2.93Å; L238-E241 PolarHBondContact O-N 3.37Å; L238-L242 HydrophobicContact CD1-CD1 4.46Å; L238-L242 HydrophobicContact CG-CD1 4.14Å; L238-L242 WeakPolarHBondContact O-CB 3.31Å; L238-L242 VanDerWaalsContact O-CG 3.26Å; L238-L242 WeakPolarHBondContact O-CG 3.49Å; L238-L242 PolarHBondContact O-N 3.36Å |
| 239 | A | 92.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -36.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | F186 V235 A236 L237 A243 F259 V263 | F186-A239 HydrophobicContact CE1-CB 4.31Å; F186-A239 HydrophobicContact CZ-CB 4.06Å; V235-A239 VanDerWaalsContact O-CB 3.24Å; V235-A239 WeakPolarHBondContact O-CB 3.25Å; V235-A239 PolarHBondContact O-N 2.99Å; A236-A239 PolarHBondContact O-N 2.92Å; L237-A239 VanDerWaalsContact C-N 3.29Å; L237-A239 PolarHBondContact O-N 3.37Å; A239-A243 VanDerWaalsContact O-CB 3.22Å; A239-A243 WeakPolarHBondContact O-CB 3.43Å; A239-A243 PolarHBondContact O-N 3.19Å; A239-F259 HydrophobicContact CB-CE1 4.43Å; A239-F259 HydrophobicContact CB-CZ 3.92Å; A239-V263 HydrophobicContact CB-CG1 4.11Å; A239-V263 HydrophobicContact CB-CG2 4.18Å |
| 240 | L | 90.5 | Very high | 81.4 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.6 | -47.9 | 176.8 | -173.3 | 72.2 | 0 | 0 | 0 | 110.2 | A236 L237 L238 A243 F244 V263 L267 I293 L313 | A236-L240 WeakPolarHBondContact O-CB 3.13Å; A236-L240 PolarHBondContact O-N 2.61Å; L237-L240 WeakPolarHBondContact O-CB 3.39Å; L237-L240 PolarHBondContact O-N 3.1Å; L237-L240 VanDerWaalsContact O-N 3.11Å; L238-L240 VanDerWaalsContact C-N 3.33Å; L238-L240 PolarHBondContact O-N 2.93Å; L240-A243 WeakPolarHBondContact O-CB 3.3Å; L240-A243 PolarHBondContact O-N 3.35Å; L240-A243 VanDerWaalsContact O-N 3.16Å; L240-F244 HydrophobicContact CD1-CD2 3.86Å; L240-F244 HydrophobicContact CD1-CE2 3.6Å; L240-F244 HydrophobicContact CG-CD2 4.13Å; L240-F244 HydrophobicContact CG-CE2 4.3Å; L240-F244 WeakPolarHBondContact O-CD2 3.21Å; L240-F244 PolarHBondContact O-N 2.84Å; L240-V263 HydrophobicContact CB-CG1 3.84Å; L240-V263 HydrophobicContact CD1-CG1 4.12Å; L240-L267 HydrophobicContact CD2-CD2 3.98Å; L240-I293 HydrophobicContact CD2-CD1 4.03Å; L240-I293 HydrophobicContact CG-CD1 4.27Å; L240-L313 HydrophobicContact CD2-CD2 4.35Å |
| 241 | E | 87.6 | Confident | 79.6 | Confident | 72 Ų | 72 | 44 Ų | 44 | 34% | 0.336 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.6 | -52.3 | 176.1 | -176.1 | -179.1 | -174.9 | 0 | 0 | 110.6 | L237 L238 A243 F244 Q245 | L237-E241 WeakPolarHBondContact O-CB 3.45Å; L237-E241 PolarHBondContact O-N 3.5Å; L238-E241 PolarHBondContact O-N 3.37Å; E241-A243 VanDerWaalsContact C-N 3.28Å; E241-A243 PolarHBondContact O-N 3.49Å; E241-F244 PolarHBondContact O-N 2.9Å; E241-Q245 VanDerWaalsContact CG-CD 3.46Å; E241-Q245 HydrophobicContact CG-CG 4.13Å; E241-Q245 VanDerWaalsContact O-CB 3.26Å; E241-Q245 WeakPolarHBondContact O-CB 3.44Å; E241-Q245 WeakPolarHBondContact O-CG 3.36Å; E241-Q245 PolarHBondContact O-N 3.08Å; E241-Q245 PolarHBondContact OE1-NE2 3.4Å |
| 242 | L | 87.2 | Confident | 77.7 | Confident | 58 Ų | 58 | 50.1 Ų | 50.1 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.5 | -38.2 | 176 | -69.5 | 172.4 | 0 | 0 | 0 | 112.4 | L193 L238 F244 S246 | L193-L242 HydrophobicContact CD2-CB 4.23Å; L238-L242 HydrophobicContact CD1-CD1 4.46Å; L238-L242 HydrophobicContact CG-CD1 4.14Å; L238-L242 WeakPolarHBondContact O-CB 3.31Å; L238-L242 VanDerWaalsContact O-CG 3.26Å; L238-L242 WeakPolarHBondContact O-CG 3.49Å; L238-L242 PolarHBondContact O-N 3.36Å; L242-F244 PolarHBondContact O-N 3.19Å; L242-S246 VanDerWaalsContact O-CB 3.28Å; L242-S246 WeakPolarHBondContact O-CB 3.41Å; L242-S246 PolarHBondContact O-N 3.12Å |
| 243 | A | 85.7 | Confident | 76.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.7 | -32 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A239 L240 E241 M256 F259 R260 | A239-A243 VanDerWaalsContact O-CB 3.22Å; A239-A243 WeakPolarHBondContact O-CB 3.43Å; A239-A243 PolarHBondContact O-N 3.19Å; L240-A243 WeakPolarHBondContact O-CB 3.3Å; L240-A243 PolarHBondContact O-N 3.35Å; L240-A243 VanDerWaalsContact O-N 3.16Å; E241-A243 VanDerWaalsContact C-N 3.28Å; E241-A243 PolarHBondContact O-N 3.49Å; A243-M256 HydrophobicContact CB-SD 4.18Å; A243-F259 HydrophobicContact CB-CD1 3.7Å; A243-F259 HydrophobicContact CB-CE1 3.88Å; A243-R260 HydrophobicContact CB-CG 3.81Å; A243-R260 PolarHBondContact O-NE 3.39Å; A243-R260 PolarHBondContact O-NH2 3.14Å; A243-R260 VanDerWaalsContact O-NH2 3.1Å |
| 244 | F | 80.8 | Confident | 75.3 | Confident | 29 Ų | 29 | 55.5 Ų | 55.5 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -92.9 | -24.1 | 178 | -80.7 | -89.1 | 0 | 0 | 0 | 113 | L240 E241 L242 R260 I293 A309 | L240-F244 HydrophobicContact CD1-CD2 3.86Å; L240-F244 HydrophobicContact CD1-CE2 3.6Å; L240-F244 HydrophobicContact CG-CD2 4.13Å; L240-F244 HydrophobicContact CG-CE2 4.3Å; L240-F244 WeakPolarHBondContact O-CD2 3.21Å; L240-F244 PolarHBondContact O-N 2.84Å; E241-F244 PolarHBondContact O-N 2.9Å; L242-F244 PolarHBondContact O-N 3.19Å; F244-R260 HydrophobicContact CD2-CG 4.45Å; F244-R260 HydrophobicContact CE2-CB 4.33Å; F244-R260 HydrophobicContact CE2-CG 4.18Å; F244-R260 HydrophobicContact CZ-CB 4.49Å; F244-R260 HydrophobicContact CZ-CG 4.43Å; F244-I293 HydrophobicContact CD1-CD1 4.5Å; F244-I293 HydrophobicContact CD1-CG1 4.22Å; F244-I293 HydrophobicContact CD1-CG2 4.22Å; F244-I293 HydrophobicContact CD2-CD1 3.9Å; F244-I293 HydrophobicContact CD2-CG1 4.44Å; F244-I293 HydrophobicContact CE1-CG1 4.48Å; F244-I293 HydrophobicContact CE1-CG2 3.75Å; F244-I293 HydrophobicContact CE2-CD1 4.02Å; F244-I293 HydrophobicContact CG-CD1 4.16Å; F244-I293 HydrophobicContact CG-CG1 4.2Å; F244-I293 HydrophobicContact CZ-CD1 4.36Å; F244-I293 HydrophobicContact CZ-CG2 4.05Å; F244-A309 HydrophobicContact CZ-CB 4.06Å |
| 245 | Q | 78 | Confident | 74.9 | Confident | 115 Ų | 115 | 55 Ų | 55 | 54% | 0.537 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -82 | -27.4 | 173.3 | -74.5 | 179.9 | -3.5 | 0 | 0 | 113.7 | E241 T247 | E241-Q245 VanDerWaalsContact CG-CD 3.46Å; E241-Q245 HydrophobicContact CG-CG 4.13Å; E241-Q245 VanDerWaalsContact O-CB 3.26Å; E241-Q245 WeakPolarHBondContact O-CB 3.44Å; E241-Q245 WeakPolarHBondContact O-CG 3.36Å; E241-Q245 PolarHBondContact O-N 3.08Å; E241-Q245 PolarHBondContact OE1-NE2 3.4Å; Q245-T247 PolarHBondContact O-N 3.42Å; Q245-T247 VanDerWaalsContact O-N 3.1Å |
| 246 | S | 63.1 | Low | 74.4 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | trans | -56.3 | 120.6 | -174.4 | 70 | 0 | 0 | 0 | 0 | 111.1 | L242 L248 M256 | L242-S246 VanDerWaalsContact O-CB 3.28Å; L242-S246 WeakPolarHBondContact O-CB 3.41Å; L242-S246 PolarHBondContact O-N 3.12Å; S246-L248 PolarHBondContact O-N 2.72Å; S246-L248 VanDerWaalsContact O-N 3.16Å; S246-M256 WeakPolarHBondContact OG-CE 3.45Å | ||
| 247 | T | 52.5 | Low | 73.8 | Confident | 129 Ų | 129 | 57.4 Ų | 57.4 | 79% | 0.791 | 31% | 0.305 | S | S | * | . | trans | -76.6 | 11.9 | 172.7 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | Q245 D249 | Q245-T247 PolarHBondContact O-N 3.42Å; Q245-T247 VanDerWaalsContact O-N 3.1Å; T247-D249 PolarHBondContact O-N 2.89Å | ||
| 248 | L | 51.5 | Low | 73.4 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 27% | 0.272 | 32% | 0.317 | S | S | . | . | trans | -57.4 | 113.8 | 169.5 | -77.7 | 160.6 | 0 | 0 | 0 | 107.5 | E194 S246 A250 M256 | E194-L248 HydrophobicContact CG-CD1 4.3Å; S246-L248 PolarHBondContact O-N 2.72Å; S246-L248 VanDerWaalsContact O-N 3.16Å; L248-A250 PolarHBondContact O-N 3.29Å; L248-M256 HydrophobicContact CD1-CE 3.56Å | ||
| 249 | D | 51.1 | Low | 73.3 | Confident | 75 Ų | 75 | 55.9 Ų | 55.9 | 40% | 0.401 | 30% | 0.299 | S | S | . | . | trans | -48.1 | 128.8 | 176.8 | -71.2 | -46.4 | 0 | 0 | 0 | 109.2 | T247 D251 K252 | T247-D249 PolarHBondContact O-N 2.89Å; D249-D251 PolarHBondContact O-N 3.44Å; D249-K252 HydrophobicContact CB-CB 4.16Å; D249-K252 HydrophobicContact CB-CD 3.94Å; D249-K252 HydrophobicContact CB-CG 3.91Å; D249-K252 PolarHBondContact O-N 3.38Å; D249-K252 WeakPolarHBondContact OD2-CD 3.32Å; D249-K252 WeakPolarHBondContact OD2-CE 3.49Å; D249-K252 IonicContact OD2-NZ 2.98Å; D249-K252 PolarHBondContact OD2-NZ 2.89Å | ||
| 250 | A | 51.3 | Low | 73.1 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -31.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L248 F257 N303 | L248-A250 PolarHBondContact O-N 3.29Å; A250-F257 HydrophobicContact CB-CE2 3.79Å; A250-F257 HydrophobicContact CB-CZ 3.73Å; A250-N303 HydrophobicContact CB-CB 3.82Å |
| 251 | D | 52.9 | Low | 73.1 | Confident | 143 Ų | 143 | 60.2 Ų | 60.2 | 77% | 0.765 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -24.2 | 176.9 | -63.4 | -14.8 | 0 | 0 | 0 | 113.4 | D249 | D249-D251 PolarHBondContact O-N 3.44Š|
| 252 | K | 51.5 | Low | 73.2 | Confident | 156 Ų | 156 | 61.9 Ų | 61.9 | 68% | 0.678 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -19.2 | -174.6 | -74.3 | 178.5 | -177.1 | 153.4 | 0 | 114.1 | D249 | D249-K252 HydrophobicContact CB-CB 4.16Å; D249-K252 HydrophobicContact CB-CD 3.94Å; D249-K252 HydrophobicContact CB-CG 3.91Å; D249-K252 PolarHBondContact O-N 3.38Å; D249-K252 WeakPolarHBondContact OD2-CD 3.32Å; D249-K252 WeakPolarHBondContact OD2-CE 3.49Å; D249-K252 IonicContact OD2-NZ 2.98Å; D249-K252 PolarHBondContact OD2-NZ 2.89Å |
| 253 | S | 63.3 | Low | 73.5 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 16% | 0.161 | 30% | 0.304 | C | S | . | . | trans | -147.9 | 90.9 | -177.7 | -171.4 | 0 | 0 | 0 | 0 | 112.7 | L255 M256 | S253-L255 PolarHBondContact O-N 3.32Å; S253-M256 WeakPolarHBondContact O-CB 3.49Å; S253-M256 PolarHBondContact O-N 3.27Å | ||
| 254 | P | 74.8 | Confident | 73.9 | Confident | 96 Ų | 96 | 59.1 Ų | 59.1 | 62% | 0.623 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -56.7 | -20.6 | 170.3 | 22.6 | -33.8 | 0 | 0 | 0 | 112.8 | M256 V258 | P254-M256 PolarHBondContact O-N 3.24Å; P254-V258 PolarHBondContact O-N 3.42Å |
| 255 | L | 83.4 | Confident | 74.4 | Confident | 72 Ų | 72 | 60 Ų | 60 | 38% | 0.377 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.2 | -26.2 | 173.4 | -63.8 | 176 | 0 | 0 | 0 | 112.7 | I197 I201 S253 V258 F259 | I197-L255 HydrophobicContact CD1-CB 3.73Å; I197-L255 HydrophobicContact CG1-CB 4.23Å; I197-L255 HydrophobicContact CG2-CB 4.47Å; I197-L255 HydrophobicContact CG2-CD1 3.86Å; I201-L255 HydrophobicContact CD1-CB 4.22Å; I201-L255 HydrophobicContact CD1-CD2 4.1Å; S253-L255 PolarHBondContact O-N 3.32Å; L255-V258 PolarHBondContact O-N 2.69Å; L255-F259 WeakPolarHBondContact O-CB 3.48Å; L255-F259 PolarHBondContact O-N 2.81Å |
| 256 | M | 84.5 | Confident | 75.2 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.02 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 178.8 | -173 | 53.1 | 74.2 | 0 | 0 | 112.2 | L193 I197 A243 S246 L248 S253 P254 V258 F259 R260 | L193-M256 HydrophobicContact CD2-CE 4.14Å; I197-M256 HydrophobicContact CD1-CE 4.24Å; A243-M256 HydrophobicContact CB-SD 4.18Å; S246-M256 WeakPolarHBondContact OG-CE 3.45Å; L248-M256 HydrophobicContact CD1-CE 3.56Å; S253-M256 WeakPolarHBondContact O-CB 3.49Å; S253-M256 PolarHBondContact O-N 3.27Å; P254-M256 PolarHBondContact O-N 3.24Å; M256-V258 VanDerWaalsContact C-N 3.3Å; M256-V258 PolarHBondContact O-N 3.33Å; M256-F259 WeakPolarHBondContact O-CB 3.37Å; M256-F259 PolarHBondContact O-N 3.35Å; M256-F259 VanDerWaalsContact O-N 3.11Å; M256-F259 HydrophobicContact SD-CB 4.46Å; M256-F259 HydrophobicContact SD-CD1 4.11Å; M256-R260 WeakPolarHBondContact O-CG 3.44Å; M256-R260 PolarHBondContact O-N 3.26Å |
| 257 | F | 81.9 | Confident | 76.7 | Confident | 52 Ų | 52 | 53.7 Ų | 53.7 | 23% | 0.228 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 172.3 | -72.6 | -71.1 | 0 | 0 | 0 | 111.6 | A250 F259 R260 R261 D306 | A250-F257 HydrophobicContact CB-CE2 3.79Å; A250-F257 HydrophobicContact CB-CZ 3.73Å; F257-F259 VanDerWaalsContact C-N 3.28Å; F257-F259 PolarHBondContact O-N 2.91Å; F257-R260 PolarHBondContact O-N 2.89Å; F257-R261 WeakPolarHBondContact O-CD 3.42Å; F257-R261 VanDerWaalsContact O-CG 3.23Å; F257-R261 WeakPolarHBondContact O-CG 3.38Å; F257-R261 PolarHBondContact O-N 2.62Å; F257-R261 VanDerWaalsContact O-N 3.09Å; F257-D306 HydrophobicContact CD1-CB 4.3Å; F257-D306 HydrophobicContact CE1-CB 4.46Å |
| 258 | V | 85.7 | Confident | 78.6 | Confident | 53 Ų | 53 | 47.7 Ų | 47.7 | 32% | 0.321 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 174.4 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | I201 P254 L255 M256 R262 | I201-V258 HydrophobicContact CD1-CG1 4.24Å; I201-V258 HydrophobicContact CG2-CG1 4.46Å; P254-V258 PolarHBondContact O-N 3.42Å; L255-V258 PolarHBondContact O-N 2.69Å; M256-V258 VanDerWaalsContact C-N 3.3Å; M256-V258 PolarHBondContact O-N 3.33Å; V258-R262 HydrophobicContact CG1-CG 4.19Å; V258-R262 WeakPolarHBondContact O-CB 3.28Å; V258-R262 WeakPolarHBondContact O-CG 3.4Å; V258-R262 PolarHBondContact O-N 3.27Å |
| 259 | F | 90 | Very high | 80.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -50.6 | 178.7 | -172.8 | -117.9 | 0 | 0 | 0 | 112.4 | F186 L193 C200 I201 A239 A243 L255 M256 F257 R261 R262 V263 | F186-F259 HydrophobicContact CE2-CE2 4.43Å; F186-F259 HydrophobicContact CZ-CE2 4.44Å; L193-F259 HydrophobicContact CD1-CD1 4.18Å; L193-F259 HydrophobicContact CD1-CE1 3.64Å; L193-F259 HydrophobicContact CD1-CE2 4.23Å; L193-F259 HydrophobicContact CD1-CZ 3.65Å; L193-F259 HydrophobicContact CD2-CD1 4.11Å; L193-F259 HydrophobicContact CD2-CE1 3.64Å; L193-F259 HydrophobicContact CD2-CZ 4.41Å; L193-F259 HydrophobicContact CG-CE1 4.3Å; C200-F259 HydrophobicContact CB-CD2 4.44Å; C200-F259 HydrophobicContact CB-CE2 3.8Å; C200-F259 HydrophobicContact CB-CZ 4.36Å; I201-F259 HydrophobicContact CG1-CB 4.35Å; I201-F259 HydrophobicContact CG1-CD2 4.09Å; A239-F259 HydrophobicContact CB-CE1 4.43Å; A239-F259 HydrophobicContact CB-CZ 3.92Å; A243-F259 HydrophobicContact CB-CD1 3.7Å; A243-F259 HydrophobicContact CB-CE1 3.88Å; L255-F259 WeakPolarHBondContact O-CB 3.48Å; L255-F259 PolarHBondContact O-N 2.81Å; M256-F259 WeakPolarHBondContact O-CB 3.37Å; M256-F259 PolarHBondContact O-N 3.35Å; M256-F259 VanDerWaalsContact O-N 3.11Å; M256-F259 HydrophobicContact SD-CB 4.46Å; M256-F259 HydrophobicContact SD-CD1 4.11Å; F257-F259 VanDerWaalsContact C-N 3.28Å; F257-F259 PolarHBondContact O-N 2.91Å; F259-R261 VanDerWaalsContact C-N 3.32Å; F259-R261 PolarHBondContact O-N 2.63Å; F259-R262 PolarHBondContact O-N 3.15Å; F259-V263 HydrophobicContact CD1-CG2 4.26Å; F259-V263 HydrophobicContact CD2-CG2 3.86Å; F259-V263 HydrophobicContact CE1-CG2 3.93Å; F259-V263 HydrophobicContact CE2-CG2 3.49Å; F259-V263 VanDerWaalsContact CE2-CG2 3.49Å; F259-V263 HydrophobicContact CG-CG2 4.23Å; F259-V263 HydrophobicContact CZ-CG2 3.55Å; F259-V263 WeakPolarHBondContact O-CG2 3.45Å; F259-V263 PolarHBondContact O-N 3.33Å |
| 260 | R | 88.3 | Confident | 82.3 | Confident | 6 Ų | 6 | 42 Ų | 42 | 2% | 0.023 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -51 | -49 | 175.6 | -72.8 | 175.6 | -175.9 | 173.7 | -0.5 | 112.2 | A243 F244 M256 F257 R262 S264 A309 | A243-R260 HydrophobicContact CB-CG 3.81Å; A243-R260 PolarHBondContact O-NE 3.39Å; A243-R260 PolarHBondContact O-NH2 3.14Å; A243-R260 VanDerWaalsContact O-NH2 3.1Å; F244-R260 HydrophobicContact CD2-CG 4.45Å; F244-R260 HydrophobicContact CE2-CB 4.33Å; F244-R260 HydrophobicContact CE2-CG 4.18Å; F244-R260 HydrophobicContact CZ-CB 4.49Å; F244-R260 HydrophobicContact CZ-CG 4.43Å; M256-R260 WeakPolarHBondContact O-CG 3.44Å; M256-R260 PolarHBondContact O-N 3.26Å; F257-R260 PolarHBondContact O-N 2.89Å; R260-R262 PolarHBondContact O-N 2.91Å; R260-S264 WeakPolarHBondContact O-CB 3.32Å; R260-S264 PolarHBondContact O-N 3.46Å; R260-S264 PolarHBondContact O-OG 3.43Å; R260-A309 HydrophobicContact CB-CB 4.41Å |
| 261 | R | 89.3 | Confident | 84.1 | Confident | 85 Ų | 85 | 41 Ų | 41 | 32% | 0.321 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.2 | -39.9 | 178.1 | -66.2 | 169.5 | -174.5 | 179.9 | 1 | 112.1 | F257 F259 K265 D306 C308 A309 | F257-R261 WeakPolarHBondContact O-CD 3.42Å; F257-R261 VanDerWaalsContact O-CG 3.23Å; F257-R261 WeakPolarHBondContact O-CG 3.38Å; F257-R261 PolarHBondContact O-N 2.62Å; F257-R261 VanDerWaalsContact O-N 3.09Å; F259-R261 VanDerWaalsContact C-N 3.32Å; F259-R261 PolarHBondContact O-N 2.63Å; R261-K265 WeakPolarHBondContact O-CB 3.29Å; R261-K265 PolarHBondContact O-N 3.47Å; R261-D306 WeakPolarHBondContact CG-OD2 3.46Å; R261-D306 IonicContact CZ-OD1 3.96Å; R261-D306 IonicContact CZ-OD2 3.36Å; R261-D306 IonicContact NE-OD1 3.41Å; R261-D306 PolarHBondContact NE-OD1 3.05Å; R261-D306 IonicContact NE-OD2 2.68Å; R261-D306 PolarHBondContact NE-OD2 3.2Å; R261-D306 VanDerWaalsContact NE-OD2 3.13Å; R261-D306 IonicContact NH2-OD1 3.68Å; R261-D306 PolarHBondContact NH2-OD1 3.01Å; R261-D306 IonicContact NH2-OD2 2.6Å; R261-C308 HydrophobicContact CG-CB 4.31Å; R261-A309 HydrophobicContact CG-CB 4.44Å |
| 262 | R | 90.9 | Very high | 85.7 | Confident | 107 Ų | 107 | 35.2 Ų | 35.2 | 40% | 0.404 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -70.6 | -41.6 | -179.3 | -69.5 | -68.4 | 170.5 | -164.5 | -3.6 | 112 | V258 F259 R260 L266 | V258-R262 HydrophobicContact CG1-CG 4.19Å; V258-R262 WeakPolarHBondContact O-CB 3.28Å; V258-R262 WeakPolarHBondContact O-CG 3.4Å; V258-R262 PolarHBondContact O-N 3.27Å; F259-R262 PolarHBondContact O-N 3.15Å; R260-R262 PolarHBondContact O-N 2.91Å; R262-L266 VanDerWaalsContact O-CB 3.31Å; R262-L266 WeakPolarHBondContact O-CB 3.43Å; R262-L266 PolarHBondContact O-N 3.37Å |
| 263 | V | 93.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.5 | -43.4 | 177.1 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | A236 A239 L240 F259 K265 L266 L267 | A236-V263 VanDerWaalsContact O-CG1 3.26Å; A236-V263 WeakPolarHBondContact O-CG1 3.28Å; A239-V263 HydrophobicContact CB-CG1 4.11Å; A239-V263 HydrophobicContact CB-CG2 4.18Å; L240-V263 HydrophobicContact CB-CG1 3.84Å; L240-V263 HydrophobicContact CD1-CG1 4.12Å; F259-V263 HydrophobicContact CD1-CG2 4.26Å; F259-V263 HydrophobicContact CD2-CG2 3.86Å; F259-V263 HydrophobicContact CE1-CG2 3.93Å; F259-V263 HydrophobicContact CE2-CG2 3.49Å; F259-V263 VanDerWaalsContact CE2-CG2 3.49Å; F259-V263 HydrophobicContact CG-CG2 4.23Å; F259-V263 HydrophobicContact CZ-CG2 3.55Å; F259-V263 WeakPolarHBondContact O-CG2 3.45Å; F259-V263 PolarHBondContact O-N 3.33Å; V263-K265 VanDerWaalsContact C-N 3.32Å; V263-K265 PolarHBondContact O-N 3.23Å; V263-L266 WeakPolarHBondContact O-CB 3.36Å; V263-L266 PolarHBondContact O-N 2.96Å; V263-L266 VanDerWaalsContact O-N 3.15Å; V263-L267 WeakPolarHBondContact O-CB 3.15Å; V263-L267 PolarHBondContact O-N 3.5Å |
| 264 | S | 93.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.7 | -42 | 175.3 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | R260 L267 F268 | R260-S264 WeakPolarHBondContact O-CB 3.32Å; R260-S264 PolarHBondContact O-N 3.46Å; R260-S264 PolarHBondContact O-OG 3.43Å; S264-L267 PolarHBondContact O-N 3.5Å; S264-F268 PolarHBondContact O-N 3.31Å |
| 265 | K | 92.4 | Very high | 88.8 | Confident | 49 Ų | 49 | 23.7 Ų | 23.7 | 21% | 0.213 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.9 | -36.8 | 174.9 | -173.5 | 171.1 | -175 | 168.1 | 0 | 112.8 | Y208 R261 V263 A269 W312 | Y208-K265 HydrophobicContact CE2-CD 4.34Å; Y208-K265 HydrophobicContact CE2-CG 3.97Å; Y208-K265 WeakPolarHBondContact OH-CE 3.42Å; R261-K265 WeakPolarHBondContact O-CB 3.29Å; R261-K265 PolarHBondContact O-N 3.47Å; V263-K265 VanDerWaalsContact C-N 3.32Å; V263-K265 PolarHBondContact O-N 3.23Å; K265-A269 WeakPolarHBondContact O-CB 3.49Å; K265-A269 PolarHBondContact O-N 2.9Å; K265-W312 HydrophobicContact CB-CD2 4.22Å; K265-W312 HydrophobicContact CB-CG 4.43Å; K265-W312 HydrophobicContact CD-CH2 4.18Å; K265-W312 HydrophobicContact CD-CZ2 3.89Å; K265-W312 HydrophobicContact CG-CD2 4.32Å; K265-W312 HydrophobicContact CG-CE3 4.42Å; K265-W312 HydrophobicContact CG-CH2 4.42Å; K265-W312 HydrophobicContact CG-CZ2 4.26Å; K265-W312 HydrophobicContact CG-CZ3 4.47Å |
| 266 | L | 94 | Very high | 88.9 | Confident | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.2 | -46.7 | 173.3 | 174.2 | 63 | 0 | 0 | 0 | 110.3 | L207 A236 R262 V263 F268 A269 L270 | L207-L266 HydrophobicContact CB-CD1 4.27Å; A236-L266 HydrophobicContact CB-CD2 4.34Å; R262-L266 VanDerWaalsContact O-CB 3.31Å; R262-L266 WeakPolarHBondContact O-CB 3.43Å; R262-L266 PolarHBondContact O-N 3.37Å; V263-L266 WeakPolarHBondContact O-CB 3.36Å; V263-L266 PolarHBondContact O-N 2.96Å; V263-L266 VanDerWaalsContact O-N 3.15Å; L266-F268 VanDerWaalsContact C-N 3.34Å; L266-F268 PolarHBondContact O-N 3.36Å; L266-A269 PolarHBondContact O-N 3.39Å; L266-A269 VanDerWaalsContact O-N 3.16Å; L266-L270 HydrophobicContact CD1-CD1 4.2Å; L266-L270 HydrophobicContact CD1-CD2 4.48Å; L266-L270 HydrophobicContact CD1-CG 4.04Å; L266-L270 HydrophobicContact CG-CD1 3.99Å; L266-L270 HydrophobicContact CG-CG 4.28Å; L266-L270 WeakPolarHBondContact O-CB 3.26Å; L266-L270 VanDerWaalsContact O-CG 3.3Å; L266-L270 WeakPolarHBondContact O-CG 3.39Å; L266-L270 PolarHBondContact O-N 3.5Å |
| 267 | L | 94.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | 178.4 | -172.8 | 66.6 | 0 | 0 | 0 | 111.4 | F233 L237 L240 V263 S264 A269 L270 F271 M286 L313 I316 | F233-L267 HydrophobicContact CD1-CD1 3.77Å; F233-L267 HydrophobicContact CE1-CD1 3.98Å; L237-L267 HydrophobicContact CD2-CD1 4.08Å; L237-L267 HydrophobicContact CD2-CD2 4.01Å; L237-L267 HydrophobicContact CG-CD1 4.25Å; L240-L267 HydrophobicContact CD2-CD2 3.98Å; V263-L267 WeakPolarHBondContact O-CB 3.15Å; V263-L267 PolarHBondContact O-N 3.5Å; S264-L267 PolarHBondContact O-N 3.5Å; L267-A269 PolarHBondContact O-N 2.86Å; L267-L270 PolarHBondContact O-N 3.16Å; L267-F271 WeakPolarHBondContact O-CB 3.31Å; L267-F271 PolarHBondContact O-N 3.12Å; L267-M286 HydrophobicContact CD1-CG 4.44Å; L267-M286 HydrophobicContact CD1-SD 4.14Å; L267-M286 HydrophobicContact CG-SD 4.49Å; L267-L313 HydrophobicContact CD2-CD2 4.4Å; L267-I316 HydrophobicContact CB-CD1 4.48Å; L267-I316 HydrophobicContact CD2-CD1 4.02Å; L267-I316 HydrophobicContact CG-CD1 3.97Å |
| 268 | F | 92.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 26 Ų | 26 | 1% | 0.013 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.2 | -48.3 | 173.1 | 178.6 | -101.2 | 0 | 0 | 0 | 111.9 | S264 L266 L270 F271 L272 W312 I316 I432 M436 V438 | S264-F268 PolarHBondContact O-N 3.31Å; L266-F268 VanDerWaalsContact C-N 3.34Å; L266-F268 PolarHBondContact O-N 3.36Å; F268-L270 PolarHBondContact O-N 3.33Å; F268-F271 WeakPolarHBondContact O-CB 3.2Å; F268-F271 PolarHBondContact O-N 2.85Å; F268-L272 HydrophobicContact CD1-CD1 3.98Å; F268-L272 HydrophobicContact CD1-CG 4.49Å; F268-L272 HydrophobicContact CE1-CD1 3.35Å; F268-L272 HydrophobicContact CE1-CG 4.17Å; F268-L272 HydrophobicContact CE2-CD1 4.28Å; F268-L272 HydrophobicContact CE2-CG 4.42Å; F268-L272 HydrophobicContact CZ-CD1 3.53Å; F268-L272 HydrophobicContact CZ-CD2 4.41Å; F268-L272 HydrophobicContact CZ-CG 4.14Å; F268-L272 WeakPolarHBondContact O-CG 3.41Å; F268-L272 PolarHBondContact O-N 3.44Å; F268-W312 HydrophobicContact CB-CE3 4.32Å; F268-W312 AromaticContact CD1-CE3 3.78Å; F268-W312 HydrophobicContact CD1-CE3 3.78Å; F268-W312 AromaticContact CD1-CZ3 3.95Å; F268-W312 HydrophobicContact CD1-CZ3 3.95Å; F268-W312 HydrophobicContact CE1-CE3 4.23Å; F268-W312 HydrophobicContact CE1-CZ3 4.06Å; F268-W312 AromaticContact CG-CE3 4Å; F268-W312 HydrophobicContact CG-CE3 4Å; F268-I316 HydrophobicContact CB-CD1 4.4Å; F268-I316 HydrophobicContact CB-CG1 4.28Å; F268-I316 HydrophobicContact CD2-CG1 3.83Å; F268-I432 HydrophobicContact CE2-CG1 4.04Å; F268-I432 HydrophobicContact CZ-CG1 3.99Å; F268-I432 HydrophobicContact CZ-CG2 4.33Å; F268-M436 HydrophobicContact CZ-CG 4.09Å; F268-V438 HydrophobicContact CE1-CG2 4.13Å |
| 269 | A | 88.9 | Confident | 89.4 | Confident | 7 Ų | 7 | 24.4 Ų | 24.4 | 6% | 0.058 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.4 | -36.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y208 K265 L266 L267 S273 | Y208-A269 HydrophobicContact CD2-CB 3.74Å; Y208-A269 HydrophobicContact CE2-CB 3.57Å; K265-A269 WeakPolarHBondContact O-CB 3.49Å; K265-A269 PolarHBondContact O-N 2.9Å; L266-A269 PolarHBondContact O-N 3.39Å; L266-A269 VanDerWaalsContact O-N 3.16Å; L267-A269 PolarHBondContact O-N 2.86Å; A269-S273 WeakPolarHBondContact O-CB 3.26Å; A269-S273 PolarHBondContact O-N 3.47Å; A269-S273 VanDerWaalsContact O-N 3.16Å; A269-S273 PolarHBondContact O-OG 3.16Å |
| 270 | L | 91.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 172.5 | -71.8 | 174.4 | 0 | 0 | 0 | 110.4 | F211 Y229 A232 F233 A236 L266 L267 F268 L272 S273 C274 | F211-L270 HydrophobicContact CD1-CD2 4.08Å; F211-L270 HydrophobicContact CD2-CD2 3.44Å; F211-L270 VanDerWaalsContact CD2-CD2 3.44Å; F211-L270 HydrophobicContact CE1-CD2 4.07Å; F211-L270 HydrophobicContact CE2-CD2 3.46Å; F211-L270 VanDerWaalsContact CE2-CD2 3.46Å; F211-L270 HydrophobicContact CG-CD2 3.78Å; F211-L270 HydrophobicContact CZ-CD2 3.78Å; Y229-L270 HydrophobicContact CD1-CD2 4.42Å; Y229-L270 HydrophobicContact CE1-CD2 4.36Å; A232-L270 HydrophobicContact CB-CD1 4.18Å; A232-L270 HydrophobicContact CB-CD2 4.03Å; F233-L270 HydrophobicContact CD1-CB 4.27Å; F233-L270 HydrophobicContact CD1-CD1 4.45Å; F233-L270 HydrophobicContact CE1-CB 3.67Å; F233-L270 HydrophobicContact CE2-CB 4.35Å; F233-L270 HydrophobicContact CZ-CB 3.72Å; A236-L270 HydrophobicContact CB-CD1 3.93Å; L266-L270 HydrophobicContact CD1-CD1 4.2Å; L266-L270 HydrophobicContact CD1-CD2 4.48Å; L266-L270 HydrophobicContact CD1-CG 4.04Å; L266-L270 HydrophobicContact CG-CD1 3.99Å; L266-L270 HydrophobicContact CG-CG 4.28Å; L266-L270 WeakPolarHBondContact O-CB 3.26Å; L266-L270 VanDerWaalsContact O-CG 3.3Å; L266-L270 WeakPolarHBondContact O-CG 3.39Å; L266-L270 PolarHBondContact O-N 3.5Å; L267-L270 PolarHBondContact O-N 3.16Å; F268-L270 PolarHBondContact O-N 3.33Å; L270-L272 VanDerWaalsContact C-N 3.34Å; L270-L272 PolarHBondContact O-N 3.29Å; L270-S273 PolarHBondContact O-N 3.37Å; L270-S273 PolarHBondContact O-OG 3.09Å; L270-C274 VanDerWaalsContact O-CB 3.3Å; L270-C274 WeakPolarHBondContact O-CB 3.49Å; L270-C274 PolarHBondContact O-N 3.47Å |
| 271 | F | 90.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 178.7 | -171.4 | -116.2 | 0 | 0 | 0 | 112.9 | L267 F268 S273 C274 R279 M286 I316 V320 I332 | L267-F271 WeakPolarHBondContact O-CB 3.31Å; L267-F271 PolarHBondContact O-N 3.12Å; F268-F271 WeakPolarHBondContact O-CB 3.2Å; F268-F271 PolarHBondContact O-N 2.85Å; F271-S273 VanDerWaalsContact C-N 3.34Å; F271-S273 PolarHBondContact O-N 3.05Å; F271-C274 PolarHBondContact O-SG 3.41Å; F271-C274 VanDerWaalsContact O-SG 3.34Å; F271-R279 HydrophobicContact CD2-CG 3.98Å; F271-R279 HydrophobicContact CE2-CG 3.42Å; F271-R279 VanDerWaalsContact CE2-CG 3.42Å; F271-R279 HydrophobicContact CZ-CG 4.09Å; F271-R279 PolarHBondContact O-NE 3.13Å; F271-M286 HydrophobicContact CD2-CE 3.25Å; F271-M286 HydrophobicContact CD2-SD 3.81Å; F271-M286 HydrophobicContact CE2-CE 3.3Å; F271-M286 HydrophobicContact CE2-SD 4.4Å; F271-M286 HydrophobicContact CG-CE 4.34Å; F271-M286 HydrophobicContact CG-SD 4.46Å; F271-M286 HydrophobicContact CZ-CE 4.4Å; F271-I316 HydrophobicContact CD1-CB 4.49Å; F271-I316 HydrophobicContact CD1-CG1 4.43Å; F271-I316 HydrophobicContact CD1-CG2 3.83Å; F271-I316 HydrophobicContact CE1-CG2 3.87Å; F271-I316 HydrophobicContact CG-CG2 4.24Å; F271-I316 HydrophobicContact CZ-CG2 4.36Å; F271-V320 HydrophobicContact CE1-CG2 3.8Å; F271-V320 HydrophobicContact CE2-CG2 4.42Å; F271-V320 HydrophobicContact CZ-CG2 3.43Å; F271-V320 VanDerWaalsContact CZ-CG2 3.43Å; F271-I332 HydrophobicContact CD1-CD1 3.46Å; F271-I332 VanDerWaalsContact CD1-CD1 3.46Å; F271-I332 HydrophobicContact CE1-CD1 3.24Å; F271-I332 HydrophobicContact CE1-CG2 4.09Å; F271-I332 HydrophobicContact CZ-CD1 4.22Å; F271-I332 HydrophobicContact CZ-CG2 4.11Å |
| 272 | L | 85.8 | Confident | 89.6 | Confident | 22 Ų | 22 | 24.3 Ų | 24.3 | 12% | 0.115 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.8 | -26.1 | 176.8 | -68.1 | -173.3 | 0 | 0 | 0 | 114.3 | F268 L270 I332 I432 E433 | F268-L272 HydrophobicContact CD1-CD1 3.98Å; F268-L272 HydrophobicContact CD1-CG 4.49Å; F268-L272 HydrophobicContact CE1-CD1 3.35Å; F268-L272 HydrophobicContact CE1-CG 4.17Å; F268-L272 HydrophobicContact CE2-CD1 4.28Å; F268-L272 HydrophobicContact CE2-CG 4.42Å; F268-L272 HydrophobicContact CZ-CD1 3.53Å; F268-L272 HydrophobicContact CZ-CD2 4.41Å; F268-L272 HydrophobicContact CZ-CG 4.14Å; F268-L272 WeakPolarHBondContact O-CG 3.41Å; F268-L272 PolarHBondContact O-N 3.44Å; L270-L272 VanDerWaalsContact C-N 3.34Å; L270-L272 PolarHBondContact O-N 3.29Å; L272-I332 HydrophobicContact CD2-CD1 3.4Å; L272-I332 HydrophobicContact CD2-CG1 3.85Å; L272-I432 HydrophobicContact CD2-CG2 4.26Å; L272-E433 HydrophobicContact CD1-CG 3.83Å |
| 273 | S | 84.1 | Confident | 89.6 | Confident | 17 Ų | 17 | 19.3 Ų | 19.3 | 12% | 0.119 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -105.5 | -15.9 | -171.8 | 61.9 | 0 | 0 | 0 | 0 | 114.7 | Y229 A269 L270 F271 | Y229-S273 PolarHBondContact OH-O 2.62Å; Y229-S273 VanDerWaalsContact OH-O 3.11Å; Y229-S273 PolarHBondContact OH-OG 2.67Å; A269-S273 WeakPolarHBondContact O-CB 3.26Å; A269-S273 PolarHBondContact O-N 3.47Å; A269-S273 VanDerWaalsContact O-N 3.16Å; A269-S273 PolarHBondContact O-OG 3.16Å; L270-S273 PolarHBondContact O-N 3.37Å; L270-S273 PolarHBondContact O-OG 3.09Å; F271-S273 VanDerWaalsContact C-N 3.34Å; F271-S273 PolarHBondContact O-N 3.05Å |
| 274 | C | 86 | Confident | 89.5 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 3% | 0.034 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -69.3 | 153.5 | -174.9 | 66.9 | 0 | 0 | 0 | 0 | 113.6 | Y229 F233 L270 F271 R279 | Y229-C274 HydrophobicContact CD1-CB 3.46Å; Y229-C274 VanDerWaalsContact CD1-CB 3.46Å; Y229-C274 VanDerWaalsContact CE1-CA 3.43Å; Y229-C274 HydrophobicContact CE1-CB 3.71Å; Y229-C274 HydrophobicContact CG-CB 4.07Å; F233-C274 HydrophobicContact CE2-CB 3.61Å; F233-C274 HydrophobicContact CZ-CB 3.98Å; L270-C274 VanDerWaalsContact O-CB 3.3Å; L270-C274 WeakPolarHBondContact O-CB 3.49Å; L270-C274 PolarHBondContact O-N 3.47Å; F271-C274 PolarHBondContact O-SG 3.41Å; F271-C274 VanDerWaalsContact O-SG 3.34Å; C274-R279 PolarHBondContact O-NH2 3.14Å |
| 275 | P | 84.1 | Confident | 89.4 | Confident | 12 Ų | 12 | 26.8 Ų | 26.8 | 8% | 0.078 | 14% | 0.136 | C | C | . | . | trans | -63.4 | 155 | 169.7 | 21.3 | -24.7 | 0 | 0 | 0 | 112.1 | K225 Y229 E277 T278 R279 | K225-P275 HydrophobicContact CD-CB 4.32Å; K225-P275 HydrophobicContact CD-CG 4.02Å; K225-P275 VanDerWaalsContact CE-CG 3.48Å; K225-P275 HydrophobicContact CG-CG 4.16Å; Y229-P275 HydrophobicContact CD2-CG 4.36Å; P275-E277 VanDerWaalsContact C-N 3.29Å; P275-E277 WeakPolarHBondContact CB-OE2 2.9Å; P275-E277 PolarHBondContact O-N 3.32Å; P275-T278 PolarHBondContact O-N 3.32Å; P275-R279 PolarHBondContact O-N 2.87Å | ||
| 276 | L | 85.9 | Confident | 89.4 | Confident | 54 Ų | 54 | 24.5 Ų | 24.5 | 28% | 0.283 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -57.2 | -41.9 | -174.7 | -64.1 | 177.2 | 0 | 0 | 0 | 112.1 | T278 R279 D280 E333 T335 | L276-T278 PolarHBondContact O-N 3.26Å; L276-R279 VanDerWaalsContact CD2-NH1 3.34Å; L276-R279 WeakPolarHBondContact O-CB 3.3Å; L276-R279 PolarHBondContact O-N 3.46Å; L276-D280 PolarHBondContact O-N 3.26Å; L276-E333 HydrophobicContact CD2-CB 3.77Å; L276-E333 VanDerWaalsContact CD2-O 3.24Å; L276-E333 WeakPolarHBondContact CD2-O 3.43Å; L276-T335 HydrophobicContact CB-CG2 4.01Å |
| 277 | E | 85.3 | Confident | 89.4 | Confident | 121 Ų | 121 | 24.7 Ų | 24.7 | 57% | 0.565 | 13% | 0.127 | S | C | * | . | H | α-helix | trans | -63.2 | -44 | -178.2 | -56 | 79.4 | -173.7 | 0 | 0 | 111.1 | P275 C281 | P275-E277 VanDerWaalsContact C-N 3.29Å; P275-E277 WeakPolarHBondContact CB-OE2 2.9Å; P275-E277 PolarHBondContact O-N 3.32Å; E277-C281 PolarHBondContact O-N 3.24Å; E277-C281 PolarHBondContact O-SG 3.37Å |
| 278 | T | 88.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.1 | -39.2 | 176.1 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | E230 F233 P275 L276 D280 C281 F282 | E230-T278 HydrophobicContact CG-CG2 3.93Å; F233-T278 HydrophobicContact CD2-CG2 3.92Å; F233-T278 HydrophobicContact CE2-CG2 4.01Å; P275-T278 PolarHBondContact O-N 3.32Å; L276-T278 PolarHBondContact O-N 3.26Å; T278-D280 VanDerWaalsContact C-N 3.34Å; T278-D280 PolarHBondContact O-N 2.88Å; T278-C281 WeakPolarHBondContact O-CB 3.14Å; T278-C281 PolarHBondContact O-N 3.01Å; T278-C281 VanDerWaalsContact O-N 3.15Å; T278-F282 HydrophobicContact CG2-CD2 3.88Å; T278-F282 HydrophobicContact CG2-CE2 4.02Å; T278-F282 WeakPolarHBondContact O-CD2 3.47Å; T278-F282 PolarHBondContact O-N 2.95Å |
| 279 | R | 89.4 | Confident | 89.2 | Confident | 20 Ų | 20 | 28.9 Ų | 28.9 | 8% | 0.075 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 178.7 | -164.3 | 179.2 | -65.8 | 143.7 | 4.9 | 111.7 | F271 C274 P275 L276 C281 F282 I283 E333 L334 | F271-R279 HydrophobicContact CD2-CG 3.98Å; F271-R279 HydrophobicContact CE2-CG 3.42Å; F271-R279 VanDerWaalsContact CE2-CG 3.42Å; F271-R279 HydrophobicContact CZ-CG 4.09Å; F271-R279 PolarHBondContact O-NE 3.13Å; C274-R279 PolarHBondContact O-NH2 3.14Å; P275-R279 PolarHBondContact O-N 2.87Å; L276-R279 VanDerWaalsContact CD2-NH1 3.34Å; L276-R279 WeakPolarHBondContact O-CB 3.3Å; L276-R279 PolarHBondContact O-N 3.46Å; R279-C281 PolarHBondContact O-N 2.66Å; R279-F282 PolarHBondContact O-N 2.92Å; R279-I283 PolarHBondContact O-N 3.18Å; R279-I283 VanDerWaalsContact O-N 3.13Å; R279-E333 PolarHBondContact NH1-O 2.96Å; R279-L334 HydrophobicContact CG-CD2 3.88Å |
| 280 | D | 90.2 | Very high | 89.4 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.9 | -28.4 | 178.4 | -72.3 | 4.4 | 0 | 0 | 0 | 112.7 | L276 T278 L334 T335 G338 K341 | L276-D280 PolarHBondContact O-N 3.26Å; T278-D280 VanDerWaalsContact C-N 3.34Å; T278-D280 PolarHBondContact O-N 2.88Å; D280-L334 WeakPolarHBondContact OD1-CD2 3.03Å; D280-T335 PolarHBondContact OD1-N 3.21Å; D280-T335 WeakPolarHBondContact OD2-CB 3.44Å; D280-T335 VanDerWaalsContact OD2-CG2 3.24Å; D280-T335 WeakPolarHBondContact OD2-CG2 3.36Å; D280-T335 PolarHBondContact OD2-N 3.03Å; D280-T335 PolarHBondContact OD2-OG1 3.23Å; D280-G338 WeakPolarHBondContact OD1-CA 3.37Å; D280-G338 WeakPolarHBondContact OD2-CA 3.47Å; D280-G338 PolarHBondContact OD2-N 3.11Å; D280-K341 WeakPolarHBondContact O-CD 3.3Å; D280-K341 PolarHBondContact O-NZ 2.96Å |
| 281 | C | 89.7 | Confident | 89.4 | Confident | 59 Ų | 59 | 28.6 Ų | 28.6 | 40% | 0.399 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -71.5 | -36.1 | 176.1 | -73.2 | 0 | 0 | 0 | 0 | 113.1 | E277 T278 R279 | E277-C281 PolarHBondContact O-N 3.24Å; E277-C281 PolarHBondContact O-SG 3.37Å; T278-C281 WeakPolarHBondContact O-CB 3.14Å; T278-C281 PolarHBondContact O-N 3.01Å; T278-C281 VanDerWaalsContact O-N 3.15Å; R279-C281 PolarHBondContact O-N 2.66Å |
| 282 | F | 91 | Very high | 89.2 | Confident | 27 Ų | 27 | 32.8 Ų | 32.8 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -99 | -12.9 | -172.1 | -78.8 | -89.6 | 0 | 0 | 0 | 114.9 | E230 F233 L237 T278 R279 E284 H285 M286 | E230-F282 HydrophobicContact CB-CE2 4.2Å; E230-F282 HydrophobicContact CB-CZ 4.35Å; E230-F282 HydrophobicContact CG-CE2 3.97Å; F233-F282 HydrophobicContact CB-CD1 3.76Å; F233-F282 HydrophobicContact CB-CD2 4.3Å; F233-F282 HydrophobicContact CB-CE1 3.62Å; F233-F282 HydrophobicContact CB-CE2 4.2Å; F233-F282 HydrophobicContact CB-CG 4.09Å; F233-F282 HydrophobicContact CB-CZ 3.86Å; F233-F282 HydrophobicContact CD2-CD2 4.23Å; F233-F282 HydrophobicContact CD2-CG 4.42Å; F233-F282 HydrophobicContact CG-CD1 4.28Å; F233-F282 HydrophobicContact CG-CD2 4.37Å; F233-F282 HydrophobicContact CG-CG 4.17Å; L237-F282 HydrophobicContact CD1-CD1 3.9Å; L237-F282 HydrophobicContact CD1-CE1 4.33Å; T278-F282 HydrophobicContact CG2-CD2 3.88Å; T278-F282 HydrophobicContact CG2-CE2 4.02Å; T278-F282 WeakPolarHBondContact O-CD2 3.47Å; T278-F282 PolarHBondContact O-N 2.95Å; R279-F282 PolarHBondContact O-N 2.92Å; F282-E284 PolarHBondContact O-N 3.37Å; F282-H285 PolarHBondContact O-N 3.48Å; F282-H285 VanDerWaalsContact O-N 3.16Å; F282-M286 HydrophobicContact CB-CE 4.06Å; F282-M286 HydrophobicContact CB-CG 4.5Å; F282-M286 WeakPolarHBondContact O-CG 3.35Å; F282-M286 PolarHBondContact O-N 3.16Å |
| 283 | I | 91.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -51.8 | -50.3 | -173.6 | -169.1 | 168 | 0 | 0 | 0 | 114 | R279 H285 M286 L287 V320 L334 K341 L342 | R279-I283 PolarHBondContact O-N 3.18Å; R279-I283 VanDerWaalsContact O-N 3.13Å; I283-H285 PolarHBondContact O-N 3.16Å; I283-M286 PolarHBondContact O-N 3.26Å; I283-L287 HydrophobicContact CG1-CD1 4.03Å; I283-L287 HydrophobicContact CG1-CG 4.46Å; I283-L287 WeakPolarHBondContact O-CG 2.95Å; I283-L287 PolarHBondContact O-N 2.98Å; I283-V320 HydrophobicContact CD1-CG1 3.77Å; I283-V320 HydrophobicContact CD1-CG2 4.13Å; I283-V320 HydrophobicContact CG1-CG1 4.36Å; I283-V320 HydrophobicContact CG1-CG2 4.28Å; I283-L334 HydrophobicContact CD1-CD1 3.36Å; I283-L334 HydrophobicContact CD1-CD2 4Å; I283-L334 HydrophobicContact CD1-CG 4.35Å; I283-K341 HydrophobicContact CG2-CB 4.17Å; I283-K341 HydrophobicContact CG2-CD 4.49Å; I283-L342 HydrophobicContact CD1-CB 4.2Å; I283-L342 HydrophobicContact CD1-CD1 4.43Å |
| 284 | E | 92.2 | Very high | 89.4 | Confident | 49 Ų | 49 | 32.4 Ų | 32.4 | 23% | 0.229 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -44.5 | -179.5 | -60.9 | -179.3 | 171.4 | 0 | 0 | 111.4 | F282 M286 L287 E288 K341 W345 | F282-E284 PolarHBondContact O-N 3.37Å; E284-M286 PolarHBondContact O-N 2.96Å; E284-L287 PolarHBondContact O-N 3.43Å; E284-E288 WeakPolarHBondContact O-CB 3.34Å; E284-E288 PolarHBondContact O-N 3.03Å; E284-K341 HydrophobicContact CG-CB 4.02Å; E284-K341 WeakPolarHBondContact OE1-CA 3.36Å; E284-K341 WeakPolarHBondContact OE1-CB 3.24Å; E284-K341 WeakPolarHBondContact OE1-CG 3.43Å; E284-W345 HydrophobicContact CG-CB 4.25Å |
| 285 | H | 90.5 | Very high | 89.1 | Confident | 109 Ų | 109 | 32.5 Ų | 32.5 | 51% | 0.505 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 179.5 | -68.3 | 80.3 | 0 | 0 | 0 | 111.3 | F282 I283 E288 H289 | F282-H285 PolarHBondContact O-N 3.48Å; F282-H285 VanDerWaalsContact O-N 3.16Å; I283-H285 PolarHBondContact O-N 3.16Å; H285-E288 PolarHBondContact O-N 3.08Å; H285-H289 PolarHBondContact O-N 3.24Å; H285-H289 PolarHBondContact O-ND1 3.18Å |
| 286 | M | 92.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.6 | -48.8 | 176.7 | -72.7 | -176.9 | -60.8 | 0 | 0 | 111.4 | F233 L237 L267 F271 F282 I283 E284 E288 H289 I290 | F233-M286 HydrophobicContact CD1-SD 4.24Å; F233-M286 HydrophobicContact CE1-SD 3.82Å; L237-M286 HydrophobicContact CD1-CG 4.41Å; L237-M286 HydrophobicContact CD2-CG 4.2Å; L267-M286 HydrophobicContact CD1-CG 4.44Å; L267-M286 HydrophobicContact CD1-SD 4.14Å; L267-M286 HydrophobicContact CG-SD 4.49Å; F271-M286 HydrophobicContact CD2-CE 3.25Å; F271-M286 HydrophobicContact CD2-SD 3.81Å; F271-M286 HydrophobicContact CE2-CE 3.3Å; F271-M286 HydrophobicContact CE2-SD 4.4Å; F271-M286 HydrophobicContact CG-CE 4.34Å; F271-M286 HydrophobicContact CG-SD 4.46Å; F271-M286 HydrophobicContact CZ-CE 4.4Å; F282-M286 HydrophobicContact CB-CE 4.06Å; F282-M286 HydrophobicContact CB-CG 4.5Å; F282-M286 WeakPolarHBondContact O-CG 3.35Å; F282-M286 PolarHBondContact O-N 3.16Å; I283-M286 PolarHBondContact O-N 3.26Å; E284-M286 PolarHBondContact O-N 2.96Å; M286-E288 VanDerWaalsContact C-N 3.27Å; M286-E288 PolarHBondContact O-N 2.66Å; M286-H289 PolarHBondContact O-N 2.84Å; M286-I290 VanDerWaalsContact O-CG1 3.24Å; M286-I290 WeakPolarHBondContact O-CG1 3.45Å; M286-I290 PolarHBondContact O-N 3.39Å |
| 287 | L | 94 | Very high | 86.9 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -34.8 | 179.4 | -69.2 | 175.1 | 0 | 0 | 0 | 112.2 | I283 E284 I290 L291 V320 L342 W345 | I283-L287 HydrophobicContact CG1-CD1 4.03Å; I283-L287 HydrophobicContact CG1-CG 4.46Å; I283-L287 WeakPolarHBondContact O-CG 2.95Å; I283-L287 PolarHBondContact O-N 2.98Å; E284-L287 PolarHBondContact O-N 3.43Å; L287-I290 PolarHBondContact O-N 3.19Å; L287-L291 WeakPolarHBondContact O-CB 3.47Å; L287-L291 PolarHBondContact O-N 3.3Å; L287-V320 HydrophobicContact CD1-CG1 4.26Å; L287-L342 HydrophobicContact CD1-CD1 3.58Å; L287-W345 HydrophobicContact CB-CD2 4Å; L287-W345 HydrophobicContact CB-CE3 4.29Å; L287-W345 HydrophobicContact CB-CH2 3.99Å; L287-W345 HydrophobicContact CB-CZ2 3.66Å; L287-W345 HydrophobicContact CB-CZ3 4.28Å; L287-W345 HydrophobicContact CD1-CD2 4.03Å; L287-W345 HydrophobicContact CD1-CE3 3.77Å; L287-W345 HydrophobicContact CD1-CZ3 4.07Å |
| 288 | E | 92.3 | Very high | 85.1 | Confident | 50 Ų | 50 | 34.6 Ų | 34.6 | 23% | 0.234 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 174.3 | -161.4 | 69.2 | -176.4 | 0 | 0 | 112 | E284 H285 M286 I290 L291 I292 W345 K360 | E284-E288 WeakPolarHBondContact O-CB 3.34Å; E284-E288 PolarHBondContact O-N 3.03Å; H285-E288 PolarHBondContact O-N 3.08Å; M286-E288 VanDerWaalsContact C-N 3.27Å; M286-E288 PolarHBondContact O-N 2.66Å; E288-I290 VanDerWaalsContact C-N 3.34Å; E288-L291 PolarHBondContact O-N 3.36Å; E288-I292 WeakPolarHBondContact O-CG1 3.46Å; E288-I292 PolarHBondContact O-N 2.79Å; E288-I292 VanDerWaalsContact O-N 3.11Å; E288-W345 PolarHBondContact OE2-NE1 3.45Å; E288-K360 IonicContact OE1-NZ 3.07Å; E288-K360 PolarHBondContact OE1-NZ 3.4Å; E288-K360 WeakPolarHBondContact OE2-CE 3.31Å; E288-K360 IonicContact OE2-NZ 3Å; E288-K360 PolarHBondContact OE2-NZ 3.41Å |
| 289 | H | 90.6 | Very high | 82.9 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 19% | 0.194 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.9 | -38.5 | 177.7 | -71.4 | 74.3 | 0 | 0 | 0 | 111.4 | H285 M286 I292 I293 | H285-H289 PolarHBondContact O-N 3.24Å; H285-H289 PolarHBondContact O-ND1 3.18Å; M286-H289 PolarHBondContact O-N 2.84Å; H289-I292 PolarHBondContact O-N 3.43Å; H289-I293 WeakPolarHBondContact O-CD1 3.31Å; H289-I293 VanDerWaalsContact O-CG1 3.23Å; H289-I293 WeakPolarHBondContact O-CG1 3.43Å; H289-I293 PolarHBondContact O-N 3.47Å; H289-I293 VanDerWaalsContact O-N 3.08Å |
| 290 | I | 92.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.6 | -43.2 | 176.9 | -64.4 | 169.1 | 0 | 0 | 0 | 110.5 | M286 L287 E288 I292 I293 V294 L313 I316 F364 | M286-I290 VanDerWaalsContact O-CG1 3.24Å; M286-I290 WeakPolarHBondContact O-CG1 3.45Å; M286-I290 PolarHBondContact O-N 3.39Å; L287-I290 PolarHBondContact O-N 3.19Å; E288-I290 VanDerWaalsContact C-N 3.34Å; I290-I292 PolarHBondContact O-N 2.97Å; I290-I293 PolarHBondContact O-N 3.37Å; I290-V294 HydrophobicContact CG2-CG2 3.94Å; I290-V294 WeakPolarHBondContact O-CB 3.47Å; I290-V294 VanDerWaalsContact O-CG2 3.29Å; I290-V294 WeakPolarHBondContact O-CG2 3.43Å; I290-V294 PolarHBondContact O-N 2.88Å; I290-L313 HydrophobicContact CD1-CB 4.38Å; I290-L313 HydrophobicContact CG1-CB 4.02Å; I290-L313 HydrophobicContact CG1-CD2 4.18Å; I290-L313 HydrophobicContact CG1-CG 4.47Å; I290-L313 HydrophobicContact CG2-CB 4.1Å; I290-I316 HydrophobicContact CD1-CB 4Å; I290-I316 HydrophobicContact CD1-CD1 4.39Å; I290-I316 HydrophobicContact CD1-CG2 3.94Å; I290-F364 HydrophobicContact CG2-CE2 4.12Å; I290-F364 HydrophobicContact CG2-CZ 4.43Å |
| 291 | L | 90.8 | Very high | 77.9 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.7 | -51.6 | 175.2 | 172.3 | 64.6 | 0 | 0 | 0 | 110.9 | L287 E288 I293 V294 S295 W345 Y350 K360 Y363 F364 | L287-L291 WeakPolarHBondContact O-CB 3.47Å; L287-L291 PolarHBondContact O-N 3.3Å; E288-L291 PolarHBondContact O-N 3.36Å; L291-I293 VanDerWaalsContact C-N 3.28Å; L291-I293 PolarHBondContact O-N 3.39Å; L291-V294 PolarHBondContact O-N 3.34Å; L291-S295 WeakPolarHBondContact CD1-OG 3.36Å; L291-S295 WeakPolarHBondContact O-CB 3.3Å; L291-S295 PolarHBondContact O-N 2.89Å; L291-S295 PolarHBondContact O-OG 3.09Å; L291-W345 HydrophobicContact CB-CZ2 4.16Å; L291-W345 HydrophobicContact CD2-CZ2 4.16Å; L291-Y350 HydrophobicContact CD2-CD2 4.25Å; L291-Y350 HydrophobicContact CD2-CE2 4.01Å; L291-K360 HydrophobicContact CD2-CB 4.34Å; L291-K360 HydrophobicContact CD2-CD 4.41Å; L291-K360 HydrophobicContact CD2-CG 4.24Å; L291-Y363 HydrophobicContact CD1-CD1 3.89Å; L291-Y363 HydrophobicContact CD1-CE1 4.33Å; L291-F364 HydrophobicContact CB-CD2 4.33Å; L291-F364 HydrophobicContact CD1-CB 3.88Å; L291-F364 HydrophobicContact CD1-CD2 3.73Å; L291-F364 HydrophobicContact CD1-CG 4.3Å |
| 292 | I | 86.2 | Confident | 75.7 | Confident | 88 Ų | 88 | 56.4 Ų | 56.4 | 45% | 0.451 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.2 | -41.7 | 179.5 | -66 | 164.9 | 0 | 0 | 0 | 111.3 | E288 H289 I290 Y296 | E288-I292 WeakPolarHBondContact O-CG1 3.46Å; E288-I292 PolarHBondContact O-N 2.79Å; E288-I292 VanDerWaalsContact O-N 3.11Å; H289-I292 PolarHBondContact O-N 3.43Å; I290-I292 PolarHBondContact O-N 2.97Å; I292-Y296 PolarHBondContact O-N 3.13Å |
| 293 | I | 86.8 | Confident | 73.5 | Confident | 28 Ų | 28 | 57.8 Ų | 57.8 | 14% | 0.144 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.3 | -41.6 | -179.3 | -66.7 | 165.5 | 0 | 0 | 0 | 111.8 | L240 F244 H289 I290 L291 V310 L313 | L240-I293 HydrophobicContact CD2-CD1 4.03Å; L240-I293 HydrophobicContact CG-CD1 4.27Å; F244-I293 HydrophobicContact CD1-CD1 4.5Å; F244-I293 HydrophobicContact CD1-CG1 4.22Å; F244-I293 HydrophobicContact CD1-CG2 4.22Å; F244-I293 HydrophobicContact CD2-CD1 3.9Å; F244-I293 HydrophobicContact CD2-CG1 4.44Å; F244-I293 HydrophobicContact CE1-CG1 4.48Å; F244-I293 HydrophobicContact CE1-CG2 3.75Å; F244-I293 HydrophobicContact CE2-CD1 4.02Å; F244-I293 HydrophobicContact CG-CD1 4.16Å; F244-I293 HydrophobicContact CG-CG1 4.2Å; F244-I293 HydrophobicContact CZ-CD1 4.36Å; F244-I293 HydrophobicContact CZ-CG2 4.05Å; H289-I293 WeakPolarHBondContact O-CD1 3.31Å; H289-I293 VanDerWaalsContact O-CG1 3.23Å; H289-I293 WeakPolarHBondContact O-CG1 3.43Å; H289-I293 PolarHBondContact O-N 3.47Å; H289-I293 VanDerWaalsContact O-N 3.08Å; I290-I293 PolarHBondContact O-N 3.37Å; L291-I293 VanDerWaalsContact C-N 3.28Å; L291-I293 PolarHBondContact O-N 3.39Å; I293-V310 HydrophobicContact CG2-CG2 4.21Å; I293-L313 HydrophobicContact CB-CD1 4.22Å; I293-L313 HydrophobicContact CD1-CD1 3.69Å; I293-L313 HydrophobicContact CG2-CD1 3.8Å |
| 294 | V | 86.8 | Confident | 71.5 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -74.3 | -34.9 | -177.6 | 168.9 | 0 | 0 | 0 | 0 | 111.9 | I290 L291 V310 L314 F364 L368 | I290-V294 HydrophobicContact CG2-CG2 3.94Å; I290-V294 WeakPolarHBondContact O-CB 3.47Å; I290-V294 VanDerWaalsContact O-CG2 3.29Å; I290-V294 WeakPolarHBondContact O-CG2 3.43Å; I290-V294 PolarHBondContact O-N 2.88Å; L291-V294 PolarHBondContact O-N 3.34Å; V294-V310 HydrophobicContact CG2-CG1 4.3Å; V294-L314 HydrophobicContact CG2-CD2 4Å; V294-F364 HydrophobicContact CB-CE2 3.96Å; V294-F364 HydrophobicContact CG1-CD2 4.45Å; V294-F364 HydrophobicContact CG1-CE2 3.94Å; V294-F364 HydrophobicContact CG1-CZ 4.44Å; V294-F364 HydrophobicContact CG2-CE2 4.07Å; V294-L368 HydrophobicContact CG1-CD2 3.72Å; V294-L368 HydrophobicContact CG1-CG 4.38Å |
| 295 | S | 80.8 | Confident | 70.1 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 6% | 0.056 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -87.9 | -0.1 | -176.3 | -63.8 | 0 | 0 | 0 | 0 | 114.8 | L291 S297 Y363 S367 | L291-S295 WeakPolarHBondContact CD1-OG 3.36Å; L291-S295 WeakPolarHBondContact O-CB 3.3Å; L291-S295 PolarHBondContact O-N 2.89Å; L291-S295 PolarHBondContact O-OG 3.09Å; S295-S297 PolarHBondContact O-N 3.46Å; S295-Y363 WeakPolarHBondContact OG-CE1 3.25Å; S295-S367 WeakPolarHBondContact CB-OG 3.49Å; S295-S367 WeakPolarHBondContact OG-CB 3.5Å; S295-S367 PolarHBondContact OG-OG 3.42Å |
| 296 | Y | 70.4 | Confident | 69.3 | Low | 120 Ų | 120 | 58.7 Ų | 58.7 | 47% | 0.471 | 31% | 0.305 | S | S | . | . | trans | -64.2 | 110.7 | -177.5 | -156.3 | -92.5 | 0 | 0 | 0 | 111.5 | I292 G298 | I292-Y296 PolarHBondContact O-N 3.13Å; Y296-G298 PolarHBondContact O-N 3.27Å; Y296-G298 VanDerWaalsContact O-N 3.12Å | ||
| 297 | S | 53.7 | Low | 68.6 | Low | 76 Ų | 76 | 59.7 Ų | 59.7 | 53% | 0.531 | 32% | 0.316 | S | S | . | . | trans | -70.1 | 103.8 | 176.6 | 57.6 | 0 | 0 | 0 | 0 | 109.9 | S295 D299 | S295-S297 PolarHBondContact O-N 3.46Å; S297-D299 PolarHBondContact O-N 3.41Å | ||
| 298 | G | 46.4 | Very low | 68.1 | Low | 34 Ų | 34 | 61.4 Ų | 61.4 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 41.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y296 V300 | Y296-G298 PolarHBondContact O-N 3.27Å; Y296-G298 VanDerWaalsContact O-N 3.12Å; G298-V300 PolarHBondContact O-N 3.4Å |
| 299 | D | 43.4 | Very low | 67.8 | Low | 163 Ų | 163 | 59 Ų | 59 | 87% | 0.872 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -19.1 | 168 | -83.8 | -19.7 | 0 | 0 | 0 | 111.7 | S297 | S297-D299 PolarHBondContact O-N 3.41Š|
| 300 | V | 37 | Very low | 67.7 | Low | 95 Ų | 95 | 57.1 Ų | 57.1 | 58% | 0.576 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -104.4 | 83.6 | 174.2 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | G298 | G298-V300 PolarHBondContact O-N 3.4Š|
| 301 | Q | 37.9 | Very low | 67.6 | Low | 124 Ų | 124 | 59.6 Ų | 59.6 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | trans | 61.4 | 130.6 | 170.9 | -60.3 | -176.8 | -8.9 | 0 | 0 | 117 | N303 | Q301-N303 PolarHBondContact O-N 3.32Š| ||
| 302 | L | 43.2 | Very low | 67.6 | Low | 160 Ų | 160 | 60.5 Ų | 60.5 | 84% | 0.838 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -50.3 | -15.8 | 175.3 | -83.8 | 100.3 | 0 | 0 | 0 | 115.2 | Y304 K305 | L302-Y304 PolarHBondContact O-N 3.49Å; L302-Y304 VanDerWaalsContact O-N 3.12Å; L302-K305 PolarHBondContact O-N 3.04Å |
| 303 | N | 45.1 | Very low | 68 | Low | 56 Ų | 56 | 56.3 Ų | 56.3 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -64.8 | -12 | -173.1 | -70.4 | -12.4 | 0 | 0 | 0 | 115.7 | A250 Q301 | A250-N303 HydrophobicContact CB-CB 3.82Å; Q301-N303 PolarHBondContact O-N 3.32Å |
| 304 | Y | 49.4 | Very low | 68.3 | Low | 68 Ų | 68 | 55 Ų | 55 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -91.8 | -16.7 | 178.3 | -77.1 | -83.8 | 0 | 0 | 0 | 114.9 | L302 D306 | L302-Y304 PolarHBondContact O-N 3.49Å; L302-Y304 VanDerWaalsContact O-N 3.12Å; Y304-D306 VanDerWaalsContact C-N 3.3Å; Y304-D306 PolarHBondContact O-N 3.27Å |
| 305 | K | 62.2 | Low | 68.5 | Low | 100 Ų | 100 | 54.8 Ų | 54.8 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | trans | -84.3 | 64.9 | 179.9 | -66.6 | -169.9 | 179.2 | -174.1 | 0 | 111.7 | L302 G307 W372 | L302-K305 PolarHBondContact O-N 3.04Å; K305-G307 VanDerWaalsContact C-N 3.27Å; K305-G307 PolarHBondContact O-N 3.36Å; K305-W372 HydrophobicContact CB-CH2 4.34Å | ||
| 306 | D | 74.2 | Confident | 69.1 | Low | 9 Ų | 9 | 54.4 Ų | 54.4 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | trans | -72.6 | 84.1 | 169.6 | -171.4 | 2.6 | 0 | 0 | 0 | 109.7 | F257 R261 Y304 C308 A309 V310 | F257-D306 HydrophobicContact CD1-CB 4.3Å; F257-D306 HydrophobicContact CE1-CB 4.46Å; R261-D306 WeakPolarHBondContact CG-OD2 3.46Å; R261-D306 IonicContact CZ-OD1 3.96Å; R261-D306 IonicContact CZ-OD2 3.36Å; R261-D306 IonicContact NE-OD1 3.41Å; R261-D306 PolarHBondContact NE-OD1 3.05Å; R261-D306 IonicContact NE-OD2 2.68Å; R261-D306 PolarHBondContact NE-OD2 3.2Å; R261-D306 VanDerWaalsContact NE-OD2 3.13Å; R261-D306 IonicContact NH2-OD1 3.68Å; R261-D306 PolarHBondContact NH2-OD1 3.01Å; R261-D306 IonicContact NH2-OD2 2.6Å; Y304-D306 VanDerWaalsContact C-N 3.3Å; Y304-D306 PolarHBondContact O-N 3.27Å; D306-C308 PolarHBondContact O-N 2.98Å; D306-C308 VanDerWaalsContact OD1-CB 3.3Å; D306-C308 WeakPolarHBondContact OD1-CB 3.41Å; D306-C308 PolarHBondContact OD1-N 3.02Å; D306-A309 HydrophobicContact CB-CB 4.03Å; D306-A309 WeakPolarHBondContact O-CA 3.49Å; D306-A309 WeakPolarHBondContact O-CB 3.38Å; D306-A309 PolarHBondContact O-N 2.92Å; D306-V310 PolarHBondContact O-N 2.7Å | ||
| 307 | G | 78.3 | Confident | 70.2 | Confident | 23 Ų | 23 | 48.8 Ų | 48.8 | 24% | 0.237 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.6 | -27.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | K305 K311 C451 | K305-G307 VanDerWaalsContact C-N 3.27Å; K305-G307 PolarHBondContact O-N 3.36Å; G307-K311 WeakPolarHBondContact O-CB 3.16Å; G307-K311 PolarHBondContact O-N 3.47Å; G307-C451 PolarHBondContact O-SG 2.9Å |
| 308 | C | 81.8 | Confident | 72 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 28% | 0.284 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -73.3 | -23.9 | 175.2 | -75.3 | 0 | 0 | 0 | 0 | 114 | R261 D306 K311 W312 | R261-C308 HydrophobicContact CG-CB 4.31Å; D306-C308 PolarHBondContact O-N 2.98Å; D306-C308 VanDerWaalsContact OD1-CB 3.3Å; D306-C308 WeakPolarHBondContact OD1-CB 3.41Å; D306-C308 PolarHBondContact OD1-N 3.02Å; C308-K311 WeakPolarHBondContact O-CE 3.27Å; C308-K311 WeakPolarHBondContact O-CG 3.4Å; C308-W312 PolarHBondContact O-NE1 3.42Å |
| 309 | A | 86.9 | Confident | 74.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -84.4 | -47 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | F244 R260 R261 D306 K311 W312 | F244-A309 HydrophobicContact CZ-CB 4.06Å; R260-A309 HydrophobicContact CB-CB 4.41Å; R261-A309 HydrophobicContact CG-CB 4.44Å; D306-A309 HydrophobicContact CB-CB 4.03Å; D306-A309 WeakPolarHBondContact O-CA 3.49Å; D306-A309 WeakPolarHBondContact O-CB 3.38Å; D306-A309 PolarHBondContact O-N 2.92Å; A309-K311 VanDerWaalsContact C-N 3.29Å; A309-K311 PolarHBondContact O-N 3.23Å; A309-W312 WeakPolarHBondContact O-CB 3.47Å; A309-W312 PolarHBondContact O-N 3.1Å |
| 310 | V | 89.1 | Confident | 76.3 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.9 | -38.3 | -179.6 | 174.8 | 0 | 0 | 0 | 0 | 112 | I293 V294 D306 W312 L313 L314 W372 | I293-V310 HydrophobicContact CG2-CG2 4.21Å; V294-V310 HydrophobicContact CG2-CG1 4.3Å; D306-V310 PolarHBondContact O-N 2.7Å; V310-W312 PolarHBondContact O-N 2.87Å; V310-L313 CarbonylContact O-C 3.58Å; V310-L313 WeakPolarHBondContact O-CA 3.45Å; V310-L313 WeakPolarHBondContact O-CB 3.14Å; V310-L313 PolarHBondContact O-N 2.97Å; V310-L314 HydrophobicContact CG1-CD1 3.96Å; V310-L314 HydrophobicContact CG1-CG 3.9Å; V310-L314 PolarHBondContact O-N 2.88Å; V310-W372 HydrophobicContact CB-CH2 4.24Å; V310-W372 HydrophobicContact CB-CZ2 4.35Å; V310-W372 HydrophobicContact CG1-CH2 4.16Å; V310-W372 HydrophobicContact CG1-CZ2 3.92Å; V310-W372 HydrophobicContact CG2-CH2 4.08Å; V310-W372 HydrophobicContact CG2-CZ2 4.03Å |
| 311 | K | 89.7 | Confident | 78.8 | Confident | 52 Ų | 52 | 31.4 Ų | 31.4 | 23% | 0.226 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.4 | -38.2 | 175.9 | 72.3 | 179.9 | -174.1 | 175.2 | 0 | 113.3 | G307 C308 A309 L313 G315 M436 P450 L454 | G307-K311 WeakPolarHBondContact O-CB 3.16Å; G307-K311 PolarHBondContact O-N 3.47Å; C308-K311 WeakPolarHBondContact O-CE 3.27Å; C308-K311 WeakPolarHBondContact O-CG 3.4Å; A309-K311 VanDerWaalsContact C-N 3.29Å; A309-K311 PolarHBondContact O-N 3.23Å; K311-L313 VanDerWaalsContact C-N 3.31Å; K311-G315 PolarHBondContact O-N 2.53Å; K311-M436 HydrophobicContact CB-CE 4.39Å; K311-M436 HydrophobicContact CG-CE 4.17Å; K311-M436 VanDerWaalsContact O-CE 3.26Å; K311-M436 WeakPolarHBondContact O-CE 3.45Å; K311-P450 HydrophobicContact CB-CB 4.29Å; K311-P450 HydrophobicContact CB-CG 4.35Å; K311-P450 HydrophobicContact CD-CB 4.4Å; K311-P450 HydrophobicContact CD-CG 4.13Å; K311-L454 HydrophobicContact CB-CD1 4.19Å; K311-L454 WeakPolarHBondContact O-CD1 3.34Å |
| 312 | W | 91.4 | Very high | 81.3 | Confident | 19 Ų | 19 | 25.7 Ų | 25.7 | 7% | 0.072 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.1 | -35.6 | 178.8 | -64.8 | 107.8 | 0 | 0 | 0 | 111 | K265 F268 C308 A309 V310 G315 I316 M436 V438 | K265-W312 HydrophobicContact CB-CD2 4.22Å; K265-W312 HydrophobicContact CB-CG 4.43Å; K265-W312 HydrophobicContact CD-CH2 4.18Å; K265-W312 HydrophobicContact CD-CZ2 3.89Å; K265-W312 HydrophobicContact CG-CD2 4.32Å; K265-W312 HydrophobicContact CG-CE3 4.42Å; K265-W312 HydrophobicContact CG-CH2 4.42Å; K265-W312 HydrophobicContact CG-CZ2 4.26Å; K265-W312 HydrophobicContact CG-CZ3 4.47Å; F268-W312 HydrophobicContact CB-CE3 4.32Å; F268-W312 AromaticContact CD1-CE3 3.78Å; F268-W312 HydrophobicContact CD1-CE3 3.78Å; F268-W312 AromaticContact CD1-CZ3 3.95Å; F268-W312 HydrophobicContact CD1-CZ3 3.95Å; F268-W312 HydrophobicContact CE1-CE3 4.23Å; F268-W312 HydrophobicContact CE1-CZ3 4.06Å; F268-W312 AromaticContact CG-CE3 4Å; F268-W312 HydrophobicContact CG-CE3 4Å; C308-W312 PolarHBondContact O-NE1 3.42Å; A309-W312 WeakPolarHBondContact O-CB 3.47Å; A309-W312 PolarHBondContact O-N 3.1Å; V310-W312 PolarHBondContact O-N 2.87Å; W312-G315 PolarHBondContact O-N 3.19Å; W312-I316 WeakPolarHBondContact O-CG1 3.15Å; W312-I316 PolarHBondContact O-N 2.94Å; W312-M436 HydrophobicContact CD2-CE 3.83Å; W312-M436 HydrophobicContact CE3-CE 3.39Å; W312-M436 HydrophobicContact CG-CE 4.38Å; W312-M436 HydrophobicContact CH2-CB 4.43Å; W312-M436 HydrophobicContact CH2-CE 4.37Å; W312-M436 HydrophobicContact CZ3-CB 3.9Å; W312-M436 HydrophobicContact CZ3-CE 3.69Å; W312-V438 HydrophobicContact CH2-CG2 3.61Å; W312-V438 HydrophobicContact CZ3-CG2 3.46Å; W312-V438 VanDerWaalsContact CZ3-CG2 3.46Å |
| 313 | L | 93.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70.6 | -44.7 | 177.1 | -57.9 | -177.9 | 0 | 0 | 0 | 111.6 | L240 L267 I290 I293 V310 K311 G315 I316 T317 | L240-L313 HydrophobicContact CD2-CD2 4.35Å; L267-L313 HydrophobicContact CD2-CD2 4.4Å; I290-L313 HydrophobicContact CD1-CB 4.38Å; I290-L313 HydrophobicContact CG1-CB 4.02Å; I290-L313 HydrophobicContact CG1-CD2 4.18Å; I290-L313 HydrophobicContact CG1-CG 4.47Å; I290-L313 HydrophobicContact CG2-CB 4.1Å; I293-L313 HydrophobicContact CB-CD1 4.22Å; I293-L313 HydrophobicContact CD1-CD1 3.69Å; I293-L313 HydrophobicContact CG2-CD1 3.8Å; V310-L313 CarbonylContact O-C 3.58Å; V310-L313 WeakPolarHBondContact O-CA 3.45Å; V310-L313 WeakPolarHBondContact O-CB 3.14Å; V310-L313 PolarHBondContact O-N 2.97Å; K311-L313 VanDerWaalsContact C-N 3.31Å; L313-G315 PolarHBondContact O-N 3.31Å; L313-I316 HydrophobicContact CD2-CD1 4.42Å; L313-I316 WeakPolarHBondContact O-CA 3.46Å; L313-I316 WeakPolarHBondContact O-CB 3.38Å; L313-I316 PolarHBondContact O-N 3.06Å; L313-T317 PolarHBondContact O-N 3Å; L313-T317 PolarHBondContact O-OG1 3.17Å |
| 314 | L | 93.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.6 | -33.7 | 172.7 | -65.2 | -178.1 | 0 | 0 | 0 | 111.8 | V294 V310 I316 T317 Y318 F364 L368 C451 L454 I458 | V294-L314 HydrophobicContact CG2-CD2 4Å; V310-L314 HydrophobicContact CG1-CD1 3.96Å; V310-L314 HydrophobicContact CG1-CG 3.9Å; V310-L314 PolarHBondContact O-N 2.88Å; L314-I316 VanDerWaalsContact C-N 3.31Å; L314-I316 PolarHBondContact O-N 3.36Å; L314-T317 PolarHBondContact O-N 3.46Å; L314-Y318 WeakPolarHBondContact O-CB 3.45Å; L314-Y318 PolarHBondContact O-N 2.87Å; L314-F364 HydrophobicContact CD2-CZ 4.26Å; L314-L368 HydrophobicContact CD2-CD2 3.69Å; L314-C451 HydrophobicContact CD1-CB 4.15Å; L314-L454 HydrophobicContact CB-CB 4.14Å; L314-L454 HydrophobicContact CB-CD1 3.98Å; L314-L454 HydrophobicContact CD1-CB 4.3Å; L314-I458 HydrophobicContact CB-CD1 4.38Å; L314-I458 HydrophobicContact CD2-CD1 4.17Å |
| 315 | G | 91.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.4 | -36.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K311 W312 L313 S319 | K311-G315 PolarHBondContact O-N 2.53Å; W312-G315 PolarHBondContact O-N 3.19Å; L313-G315 PolarHBondContact O-N 3.31Å; G315-S319 WeakPolarHBondContact O-CB 3.4Å; G315-S319 PolarHBondContact O-N 2.88Å; G315-S319 VanDerWaalsContact O-N 3.13Å; G315-S319 PolarHBondContact O-OG 3.46Å |
| 316 | I | 93.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.9 | -51.1 | 170.9 | -62.5 | 171.7 | 0 | 0 | 0 | 109.5 | L267 F268 F271 I290 W312 L313 L314 Y318 S319 V320 | L267-I316 HydrophobicContact CB-CD1 4.48Å; L267-I316 HydrophobicContact CD2-CD1 4.02Å; L267-I316 HydrophobicContact CG-CD1 3.97Å; F268-I316 HydrophobicContact CB-CD1 4.4Å; F268-I316 HydrophobicContact CB-CG1 4.28Å; F268-I316 HydrophobicContact CD2-CG1 3.83Å; F271-I316 HydrophobicContact CD1-CB 4.49Å; F271-I316 HydrophobicContact CD1-CG1 4.43Å; F271-I316 HydrophobicContact CD1-CG2 3.83Å; F271-I316 HydrophobicContact CE1-CG2 3.87Å; F271-I316 HydrophobicContact CG-CG2 4.24Å; F271-I316 HydrophobicContact CZ-CG2 4.36Å; I290-I316 HydrophobicContact CD1-CB 4Å; I290-I316 HydrophobicContact CD1-CD1 4.39Å; I290-I316 HydrophobicContact CD1-CG2 3.94Å; W312-I316 WeakPolarHBondContact O-CG1 3.15Å; W312-I316 PolarHBondContact O-N 2.94Å; L313-I316 HydrophobicContact CD2-CD1 4.42Å; L313-I316 WeakPolarHBondContact O-CA 3.46Å; L313-I316 WeakPolarHBondContact O-CB 3.38Å; L313-I316 PolarHBondContact O-N 3.06Å; L314-I316 VanDerWaalsContact C-N 3.31Å; L314-I316 PolarHBondContact O-N 3.36Å; I316-Y318 PolarHBondContact O-N 3.45Å; I316-S319 PolarHBondContact O-N 3.26Å; I316-S319 VanDerWaalsContact O-N 3.15Å; I316-V320 HydrophobicContact CG2-CG2 4.33Å; I316-V320 WeakPolarHBondContact O-CG2 3.43Å; I316-V320 PolarHBondContact O-N 3.3Å |
| 317 | T | 93.1 | Very high | 86.3 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.2 | -48.1 | -179.1 | -55.3 | 0 | 0 | 0 | 0 | 112.4 | L313 L314 S319 V320 L321 W361 F364 I458 | L313-T317 PolarHBondContact O-N 3Å; L313-T317 PolarHBondContact O-OG1 3.17Å; L314-T317 PolarHBondContact O-N 3.46Å; T317-S319 VanDerWaalsContact C-N 3.31Å; T317-S319 PolarHBondContact O-N 3.27Å; T317-V320 WeakPolarHBondContact O-CB 3.35Å; T317-V320 PolarHBondContact O-N 2.87Å; T317-L321 HydrophobicContact CG2-CD1 4.35Å; T317-L321 WeakPolarHBondContact O-CG 3.48Å; T317-L321 PolarHBondContact O-N 3.02Å; T317-W361 HydrophobicContact CG2-CZ3 4.44Å; T317-F364 HydrophobicContact CG2-CE1 3.71Å; T317-F364 HydrophobicContact CG2-CZ 3.86Å; T317-I458 HydrophobicContact CG2-CD1 4.33Å |
| 318 | Y | 92 | Very high | 85.8 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.1 | -46.8 | 175.6 | 173.1 | -95.8 | 0 | 0 | 0 | 111.5 | L314 I316 V320 L321 C322 I432 I435 L457 I458 I461 | L314-Y318 WeakPolarHBondContact O-CB 3.45Å; L314-Y318 PolarHBondContact O-N 2.87Å; I316-Y318 PolarHBondContact O-N 3.45Å; Y318-V320 VanDerWaalsContact C-N 3.3Å; Y318-V320 PolarHBondContact O-N 3.04Å; Y318-L321 PolarHBondContact O-N 3.34Å; Y318-L321 VanDerWaalsContact O-N 3.17Å; Y318-C322 PolarHBondContact O-N 3.4Å; Y318-C322 PolarHBondContact O-SG 3.33Å; Y318-C322 VanDerWaalsContact O-SG 3.34Å; Y318-I432 HydrophobicContact CD1-CD1 3.68Å; Y318-I432 HydrophobicContact CD1-CG1 4.34Å; Y318-I432 HydrophobicContact CE1-CD1 4.19Å; Y318-I435 HydrophobicContact CE1-CD1 4.21Å; Y318-L457 HydrophobicContact CD2-CB 3.99Å; Y318-L457 HydrophobicContact CE2-CB 3.83Å; Y318-I458 HydrophobicContact CD2-CG1 4.49Å; Y318-I461 HydrophobicContact CD2-CG1 4.1Å; Y318-I461 HydrophobicContact CE2-CD1 4.24Å; Y318-I461 HydrophobicContact CE2-CG1 3.44Å; Y318-I461 VanDerWaalsContact CE2-CG1 3.44Å |
| 319 | S | 90 | Very high | 84.6 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.7 | -35.4 | -179.8 | -50.4 | 0 | 0 | 0 | 0 | 112.5 | G315 I316 T317 C322 I432 | G315-S319 WeakPolarHBondContact O-CB 3.4Å; G315-S319 PolarHBondContact O-N 2.88Å; G315-S319 VanDerWaalsContact O-N 3.13Å; G315-S319 PolarHBondContact O-OG 3.46Å; I316-S319 PolarHBondContact O-N 3.26Å; I316-S319 VanDerWaalsContact O-N 3.15Å; T317-S319 VanDerWaalsContact C-N 3.31Å; T317-S319 PolarHBondContact O-N 3.27Å; S319-C322 PolarHBondContact O-N 3.25Å; S319-I432 WeakPolarHBondContact OG-CG1 3.27Å |
| 320 | V | 90.6 | Very high | 83.1 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 172.9 | 165.8 | 0 | 0 | 0 | 0 | 111.1 | F271 I283 L287 I316 T317 Y318 C322 C323 L342 | F271-V320 HydrophobicContact CE1-CG2 3.8Å; F271-V320 HydrophobicContact CE2-CG2 4.42Å; F271-V320 HydrophobicContact CZ-CG2 3.43Å; F271-V320 VanDerWaalsContact CZ-CG2 3.43Å; I283-V320 HydrophobicContact CD1-CG1 3.77Å; I283-V320 HydrophobicContact CD1-CG2 4.13Å; I283-V320 HydrophobicContact CG1-CG1 4.36Å; I283-V320 HydrophobicContact CG1-CG2 4.28Å; L287-V320 HydrophobicContact CD1-CG1 4.26Å; I316-V320 HydrophobicContact CG2-CG2 4.33Å; I316-V320 WeakPolarHBondContact O-CG2 3.43Å; I316-V320 PolarHBondContact O-N 3.3Å; T317-V320 WeakPolarHBondContact O-CB 3.35Å; T317-V320 PolarHBondContact O-N 2.87Å; Y318-V320 VanDerWaalsContact C-N 3.3Å; Y318-V320 PolarHBondContact O-N 3.04Å; V320-C322 VanDerWaalsContact C-N 3.32Å; V320-C322 PolarHBondContact O-N 3.36Å; V320-C323 VanDerWaalsContact O-CB 3.31Å; V320-C323 WeakPolarHBondContact O-CB 3.48Å; V320-C323 PolarHBondContact O-N 2.64Å; V320-C323 PolarHBondContact O-SG 3.17Å; V320-L342 HydrophobicContact CG1-CD1 3.49Å; V320-L342 VanDerWaalsContact CG1-CD1 3.49Å; V320-L342 HydrophobicContact CG1-CD2 3.65Å; V320-L342 HydrophobicContact CG1-CG 4.18Å |
| 321 | L | 89.4 | Confident | 81.9 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.1 | -34.1 | -180 | -65.5 | 170.1 | 0 | 0 | 0 | 112.6 | T317 Y318 C323 M346 W361 I458 I461 Y466 | T317-L321 HydrophobicContact CG2-CD1 4.35Å; T317-L321 WeakPolarHBondContact O-CG 3.48Å; T317-L321 PolarHBondContact O-N 3.02Å; Y318-L321 PolarHBondContact O-N 3.34Å; Y318-L321 VanDerWaalsContact O-N 3.17Å; L321-C323 PolarHBondContact O-N 3.4Å; L321-M346 HydrophobicContact CD2-CE 4.48Å; L321-W361 HydrophobicContact CD1-CH2 3.62Å; L321-W361 HydrophobicContact CD1-CZ2 4.2Å; L321-W361 HydrophobicContact CD2-CH2 3.67Å; L321-W361 HydrophobicContact CD2-CZ2 3.95Å; L321-W361 HydrophobicContact CD2-CZ3 4.25Å; L321-W361 HydrophobicContact CG-CH2 4.18Å; L321-I458 HydrophobicContact CD1-CB 4.31Å; L321-I458 HydrophobicContact CD1-CG1 4.21Å; L321-I458 HydrophobicContact CD1-CG2 3.66Å; L321-I461 HydrophobicContact CB-CG2 3.74Å; L321-Y466 WeakPolarHBondContact CA-OH 3.28Å; L321-Y466 HydrophobicContact CB-CE2 4.31Å; L321-Y466 HydrophobicContact CD2-CE2 4.05Å; L321-Y466 PolarHBondContact O-OH 3.34Å |
| 322 | C | 88.7 | Confident | 81 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.02 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -67.1 | -11.5 | 178 | -70.8 | 0 | 0 | 0 | 0 | 113.8 | Y318 S319 V320 K324 S325 | Y318-C322 PolarHBondContact O-N 3.4Å; Y318-C322 PolarHBondContact O-SG 3.33Å; Y318-C322 VanDerWaalsContact O-SG 3.34Å; S319-C322 PolarHBondContact O-N 3.25Å; V320-C322 VanDerWaalsContact C-N 3.32Å; V320-C322 PolarHBondContact O-N 3.36Å; C322-K324 PolarHBondContact O-N 3.19Å; C322-S325 PolarHBondContact O-N 2.61Å; C322-S325 VanDerWaalsContact O-N 3.13Å; C322-S325 VanDerWaalsContact O-O 3.12Å |
| 323 | C | 84.6 | Confident | 80.5 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 10% | 0.101 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -60.2 | -18.5 | -176.3 | 75.2 | 0 | 0 | 0 | 0 | 115.1 | V320 L321 S325 L334 | V320-C323 VanDerWaalsContact O-CB 3.31Å; V320-C323 WeakPolarHBondContact O-CB 3.48Å; V320-C323 PolarHBondContact O-N 2.64Å; V320-C323 PolarHBondContact O-SG 3.17Å; L321-C323 PolarHBondContact O-N 3.4Å; C323-S325 VanDerWaalsContact C-N 3.33Å; C323-L334 HydrophobicContact CB-CB 4.31Å; C323-L334 HydrophobicContact CB-CD1 3.88Å; C323-L334 HydrophobicContact CB-CG 3.9Å |
| 324 | K | 80.2 | Confident | 80.1 | Confident | 98 Ų | 98 | 38.7 Ų | 38.7 | 43% | 0.426 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -73.5 | -20.2 | 178.5 | -83 | -170.2 | 172.4 | -178.6 | 0 | 113.6 | C322 L465 Y466 | C322-K324 PolarHBondContact O-N 3.19Å; K324-L465 HydrophobicContact CB-CB 4.38Å; K324-L465 HydrophobicContact CB-CD1 4.25Å; K324-L465 HydrophobicContact CD-CB 4.43Å; K324-L465 WeakPolarHBondContact CD-O 3.31Å; K324-L465 PolarHBondContact NZ-O 3.34Å; K324-Y466 HydrophobicContact CD-CD1 4.24Å; K324-Y466 HydrophobicContact CD-CD2 4.45Å; K324-Y466 HydrophobicContact CD-CE1 3.91Å; K324-Y466 HydrophobicContact CD-CE2 4.13Å; K324-Y466 HydrophobicContact CD-CG 4.48Å; K324-Y466 VanDerWaalsContact CE-CE1 3.49Å |
| 325 | S | 78.5 | Confident | 79.8 | Confident | 21 Ų | 21 | 41 Ų | 41 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | trans | -140.7 | 126.4 | -175.3 | 168.6 | 0 | 0 | 0 | 0 | 112 | C322 C323 K327 Y328 | C322-S325 PolarHBondContact O-N 2.61Å; C322-S325 VanDerWaalsContact O-N 3.13Å; C322-S325 VanDerWaalsContact O-O 3.12Å; C323-S325 VanDerWaalsContact C-N 3.33Å; S325-K327 PolarHBondContact O-N 3.25Å; S325-K327 PolarHBondContact OG-N 3.13Å; S325-Y328 WeakPolarHBondContact OG-CD2 3.48Å; S325-Y328 WeakPolarHBondContact OG-CE2 3.4Å | ||
| 326 | P | 67.7 | Low | 79.7 | Confident | 134 Ų | 134 | 46.4 Ų | 46.4 | 87% | 0.87 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -10.6 | 177.4 | 30.9 | -35.5 | 0 | 0 | 0 | 113.1 | Y328 | P326-Y328 VanDerWaalsContact C-N 3.32Å; P326-Y328 PolarHBondContact O-N 3.23Å |
| 327 | K | 68.8 | Low | 79.5 | Confident | 175 Ų | 175 | 52.1 Ų | 52.1 | 76% | 0.761 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -20.6 | -176.9 | -65.8 | -173.9 | 177.4 | -177.6 | 0 | 113.8 | S325 | S325-K327 PolarHBondContact O-N 3.25Å; S325-K327 PolarHBondContact OG-N 3.13Å |
| 328 | Y | 68.4 | Low | 79.4 | Confident | 47 Ų | 47 | 52 Ų | 52 | 18% | 0.184 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -102.4 | 138.2 | -173.4 | -58.7 | -71.8 | 0 | 0 | 0 | 110.3 | S325 P326 G330 C428 I461 L465 | S325-Y328 WeakPolarHBondContact OG-CD2 3.48Å; S325-Y328 WeakPolarHBondContact OG-CE2 3.4Å; P326-Y328 VanDerWaalsContact C-N 3.32Å; P326-Y328 PolarHBondContact O-N 3.23Å; Y328-G330 PolarHBondContact O-N 3.35Å; Y328-C428 HydrophobicContact CD1-CB 3.99Å; Y328-C428 HydrophobicContact CE1-CB 4.33Å; Y328-I461 HydrophobicContact CD1-CD1 4.25Å; Y328-I461 HydrophobicContact CG-CD1 4.18Å; Y328-L465 HydrophobicContact CD2-CD1 4.12Å; Y328-L465 HydrophobicContact CD2-CD2 4.13Å; Y328-L465 HydrophobicContact CD2-CG 4.5Å; Y328-L465 HydrophobicContact CE2-CD1 4.42Å; Y328-L465 HydrophobicContact CE2-CD2 3.66Å; Y328-L465 HydrophobicContact CE2-CG 4.31Å |
| 329 | G | 55.5 | Low | 79.2 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -67.5 | 1.1 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q331 C428 C430 N431 I432 | G329-Q331 PolarHBondContact O-N 3.35Å; G329-C428 PolarHBondContact N-O 3.27Å; G329-C430 VanDerWaalsContact CA-O 3.32Å; G329-C430 WeakPolarHBondContact CA-O 3.43Å; G329-N431 WeakPolarHBondContact O-CA 3.39Å; G329-N431 PolarHBondContact O-OD1 3.07Å; G329-I432 PolarHBondContact O-N 3.27Å |
| 330 | G | 56.7 | Low | 79.2 | Confident | 2 Ų | 2 | 64 Ų | 64 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | trans | -73.1 | 54.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y328 I332 | Y328-G330 PolarHBondContact O-N 3.35Å; G330-I332 PolarHBondContact O-N 3.11Å | ||
| 331 | Q | 62.4 | Low | 79.3 | Confident | 147 Ų | 147 | 66.3 Ų | 66.3 | 69% | 0.687 | 32% | 0.316 | S | S | * | . | trans | -54.3 | 71 | -171.3 | -68.7 | -174.5 | -13.9 | 0 | 0 | 114.4 | G329 | G329-Q331 PolarHBondContact O-N 3.35Š| ||
| 332 | I | 72.5 | Confident | 79.4 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | trans | -133.6 | 104 | 175.7 | -55.9 | -171.9 | 0 | 0 | 0 | 107.4 | F271 L272 G330 | F271-I332 HydrophobicContact CD1-CD1 3.46Å; F271-I332 VanDerWaalsContact CD1-CD1 3.46Å; F271-I332 HydrophobicContact CE1-CD1 3.24Å; F271-I332 HydrophobicContact CE1-CG2 4.09Å; F271-I332 HydrophobicContact CZ-CD1 4.22Å; F271-I332 HydrophobicContact CZ-CG2 4.11Å; L272-I332 HydrophobicContact CD2-CD1 3.4Å; L272-I332 HydrophobicContact CD2-CG1 3.85Å; G330-I332 PolarHBondContact O-N 3.11Å | ||
| 333 | E | 80.1 | Confident | 79.5 | Confident | 140 Ų | 140 | 69 Ų | 69 | 65% | 0.654 | 34% | 0.338 | S | S | * | . | trans | -72.8 | 138.7 | 172 | -68.2 | 178.1 | 175 | 0 | 0 | 110.3 | L276 R279 | L276-E333 HydrophobicContact CD2-CB 3.77Å; L276-E333 VanDerWaalsContact CD2-O 3.24Å; L276-E333 WeakPolarHBondContact CD2-O 3.43Å; R279-E333 PolarHBondContact NH1-O 2.96Å | ||
| 334 | L | 85.4 | Confident | 79.8 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 6% | 0.058 | 36% | 0.357 | C | S | . | . | trans | -113.8 | 146.1 | 162.7 | -65 | 178.6 | 0 | 0 | 0 | 107.5 | R279 D280 I283 C323 K339 L342 | R279-L334 HydrophobicContact CG-CD2 3.88Å; D280-L334 WeakPolarHBondContact OD1-CD2 3.03Å; I283-L334 HydrophobicContact CD1-CD1 3.36Å; I283-L334 HydrophobicContact CD1-CD2 4Å; I283-L334 HydrophobicContact CD1-CG 4.35Å; C323-L334 HydrophobicContact CB-CB 4.31Å; C323-L334 HydrophobicContact CB-CD1 3.88Å; C323-L334 HydrophobicContact CB-CG 3.9Å; L334-K339 HydrophobicContact CB-CG 4.04Å; L334-L342 HydrophobicContact CD1-CD2 4.46Å | ||
| 335 | T | 87.7 | Confident | 80.4 | Confident | 48 Ų | 48 | 68.3 Ų | 68.3 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | trans | -70 | 169.1 | 169.1 | 87.2 | 0 | 0 | 0 | 0 | 109.6 | L276 D280 Q337 G338 K339 | L276-T335 HydrophobicContact CB-CG2 4.01Å; D280-T335 PolarHBondContact OD1-N 3.21Å; D280-T335 WeakPolarHBondContact OD2-CB 3.44Å; D280-T335 VanDerWaalsContact OD2-CG2 3.24Å; D280-T335 WeakPolarHBondContact OD2-CG2 3.36Å; D280-T335 PolarHBondContact OD2-N 3.03Å; D280-T335 PolarHBondContact OD2-OG1 3.23Å; T335-Q337 PolarHBondContact O-N 3.35Å; T335-Q337 VanDerWaalsContact O-N 3.15Å; T335-Q337 WeakPolarHBondContact OG1-CB 3.48Å; T335-Q337 PolarHBondContact OG1-N 3.48Å; T335-Q337 VanDerWaalsContact OG1-N 3.1Å; T335-G338 PolarHBondContact O-N 2.84Å; T335-K339 WeakPolarHBondContact O-CG 3.29Å; T335-K339 PolarHBondContact O-N 3.04Å | ||
| 336 | E | 87.9 | Confident | 81.1 | Confident | 113 Ų | 113 | 68.2 Ų | 68.2 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.5 | -29.1 | 173 | -67.3 | -55.6 | 122.9 | 0 | 0 | 112.6 | K339 R340 | E336-K339 IonicContact OE1-NZ 3.4Å; E336-K339 PolarHBondContact OE1-NZ 3.27Å; E336-R340 WeakPolarHBondContact O-CB 3.29Å; E336-R340 VanDerWaalsContact O-CG 3.23Å; E336-R340 WeakPolarHBondContact O-CG 3.43Å; E336-R340 PolarHBondContact O-N 3.41Å |
| 337 | Q | 89.9 | Confident | 82.1 | Confident | 120 Ų | 120 | 65.6 Ų | 65.6 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68.5 | -46.4 | 172.8 | -173.4 | 178.9 | -0.8 | 0 | 0 | 111.5 | T335 K339 R340 K341 | T335-Q337 PolarHBondContact O-N 3.35Å; T335-Q337 VanDerWaalsContact O-N 3.15Å; T335-Q337 WeakPolarHBondContact OG1-CB 3.48Å; T335-Q337 PolarHBondContact OG1-N 3.48Å; T335-Q337 VanDerWaalsContact OG1-N 3.1Å; Q337-K339 PolarHBondContact O-N 3.15Å; Q337-R340 PolarHBondContact O-N 3.32Å; Q337-K341 WeakPolarHBondContact O-CG 3.44Å; Q337-K341 PolarHBondContact O-N 2.94Å |
| 338 | G | 89.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | D280 T335 R340 K341 L342 | D280-G338 WeakPolarHBondContact OD1-CA 3.37Å; D280-G338 WeakPolarHBondContact OD2-CA 3.47Å; D280-G338 PolarHBondContact OD2-N 3.11Å; T335-G338 PolarHBondContact O-N 2.84Å; G338-R340 PolarHBondContact O-N 3.37Å; G338-K341 WeakPolarHBondContact O-CB 3.43Å; G338-K341 PolarHBondContact O-N 2.92Å; G338-L342 PolarHBondContact O-N 3.32Å |
| 339 | K | 89.3 | Confident | 84.2 | Confident | 65 Ų | 65 | 62.4 Ų | 62.4 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 174.7 | -66.3 | 178.2 | -169.4 | 167.2 | 0 | 112.2 | L334 T335 E336 Q337 L342 A343 | L334-K339 HydrophobicContact CB-CG 4.04Å; T335-K339 WeakPolarHBondContact O-CG 3.29Å; T335-K339 PolarHBondContact O-N 3.04Å; E336-K339 IonicContact OE1-NZ 3.4Å; E336-K339 PolarHBondContact OE1-NZ 3.27Å; Q337-K339 PolarHBondContact O-N 3.15Å; K339-L342 PolarHBondContact O-N 3.18Å; K339-A343 PolarHBondContact O-N 3.35Å |
| 340 | R | 90.3 | Very high | 85.5 | Confident | 188 Ų | 188 | 64.8 Ų | 64.8 | 71% | 0.709 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 174.7 | -75.1 | 172.2 | -172.2 | -175.8 | 3 | 112.2 | E336 Q337 G338 A343 L344 | E336-R340 WeakPolarHBondContact O-CB 3.29Å; E336-R340 VanDerWaalsContact O-CG 3.23Å; E336-R340 WeakPolarHBondContact O-CG 3.43Å; E336-R340 PolarHBondContact O-N 3.41Å; Q337-R340 PolarHBondContact O-N 3.32Å; G338-R340 PolarHBondContact O-N 3.37Å; R340-A343 PolarHBondContact O-N 3.11Å; R340-L344 VanDerWaalsContact O-CB 3.28Å; R340-L344 WeakPolarHBondContact O-CB 3.2Å; R340-L344 PolarHBondContact O-N 3.35Å |
| 341 | K | 91.9 | Very high | 86.6 | Confident | 48 Ų | 48 | 71.8 Ų | 71.8 | 21% | 0.209 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 174.8 | -76.2 | -175.4 | 180 | -175.2 | 0 | 112.3 | D280 I283 E284 Q337 G338 L344 W345 | D280-K341 WeakPolarHBondContact O-CD 3.3Å; D280-K341 PolarHBondContact O-NZ 2.96Å; I283-K341 HydrophobicContact CG2-CB 4.17Å; I283-K341 HydrophobicContact CG2-CD 4.49Å; E284-K341 HydrophobicContact CG-CB 4.02Å; E284-K341 WeakPolarHBondContact OE1-CA 3.36Å; E284-K341 WeakPolarHBondContact OE1-CB 3.24Å; E284-K341 WeakPolarHBondContact OE1-CG 3.43Å; Q337-K341 WeakPolarHBondContact O-CG 3.44Å; Q337-K341 PolarHBondContact O-N 2.94Å; G338-K341 WeakPolarHBondContact O-CB 3.43Å; G338-K341 PolarHBondContact O-N 2.92Å; K341-L344 PolarHBondContact O-N 3.21Å; K341-W345 WeakPolarHBondContact O-CB 3.49Å; K341-W345 PolarHBondContact O-N 2.92Å |
| 342 | L | 91.2 | Very high | 87 | Confident | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.8 | -51.7 | 173.6 | 176.7 | 61.3 | 0 | 0 | 0 | 111.1 | I283 L287 V320 L334 G338 K339 L344 W345 M346 | I283-L342 HydrophobicContact CD1-CB 4.2Å; I283-L342 HydrophobicContact CD1-CD1 4.43Å; L287-L342 HydrophobicContact CD1-CD1 3.58Å; V320-L342 HydrophobicContact CG1-CD1 3.49Å; V320-L342 VanDerWaalsContact CG1-CD1 3.49Å; V320-L342 HydrophobicContact CG1-CD2 3.65Å; V320-L342 HydrophobicContact CG1-CG 4.18Å; L334-L342 HydrophobicContact CD1-CD2 4.46Å; G338-L342 PolarHBondContact O-N 3.32Å; K339-L342 PolarHBondContact O-N 3.18Å; L342-L344 VanDerWaalsContact C-N 3.29Å; L342-L344 PolarHBondContact O-N 3.4Å; L342-W345 PolarHBondContact O-N 2.98Å; L342-M346 HydrophobicContact CD1-CG 4.22Å; L342-M346 HydrophobicContact CD1-SD 4.11Å; L342-M346 HydrophobicContact CG-SD 3.96Å; L342-M346 VanDerWaalsContact O-CG 3.25Å; L342-M346 WeakPolarHBondContact O-CG 3.49Å; L342-M346 PolarHBondContact O-N 2.98Å |
| 343 | A | 90.2 | Very high | 86.8 | Confident | 55 Ų | 55 | 71 Ų | 71 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | K339 R340 M346 S347 | K339-A343 PolarHBondContact O-N 3.35Å; R340-A343 PolarHBondContact O-N 3.11Å; A343-M346 PolarHBondContact O-N 2.88Å; A343-S347 WeakPolarHBondContact O-CB 3.49Å; A343-S347 PolarHBondContact O-N 3.02Å; A343-S347 PolarHBondContact O-OG 3.45Å |
| 344 | L | 91.6 | Very high | 86.1 | Confident | 92 Ų | 92 | 68.4 Ų | 68.4 | 48% | 0.482 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63 | -49.4 | 177.2 | -170.8 | 138.6 | 0 | 0 | 0 | 111 | R340 K341 L342 M346 S347 Q348 | R340-L344 VanDerWaalsContact O-CB 3.28Å; R340-L344 WeakPolarHBondContact O-CB 3.2Å; R340-L344 PolarHBondContact O-N 3.35Å; K341-L344 PolarHBondContact O-N 3.21Å; L342-L344 VanDerWaalsContact C-N 3.29Å; L342-L344 PolarHBondContact O-N 3.4Å; L344-M346 VanDerWaalsContact C-N 3.34Å; L344-M346 PolarHBondContact O-N 2.88Å; L344-S347 PolarHBondContact O-N 3.16Å; L344-S347 VanDerWaalsContact O-N 3.12Å; L344-S347 PolarHBondContact O-OG 3.27Å; L344-Q348 HydrophobicContact CD2-CG 4.26Å; L344-Q348 WeakPolarHBondContact O-CG 3.3Å; L344-Q348 PolarHBondContact O-N 2.82Å |
| 345 | W | 93.4 | Very high | 85.5 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 2% | 0.019 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.1 | -45.1 | 175.5 | 179.2 | 87.7 | 0 | 0 | 0 | 112.1 | E284 L287 E288 L291 K341 L342 S347 Q348 K360 W361 | E284-W345 HydrophobicContact CG-CB 4.25Å; L287-W345 HydrophobicContact CB-CD2 4Å; L287-W345 HydrophobicContact CB-CE3 4.29Å; L287-W345 HydrophobicContact CB-CH2 3.99Å; L287-W345 HydrophobicContact CB-CZ2 3.66Å; L287-W345 HydrophobicContact CB-CZ3 4.28Å; L287-W345 HydrophobicContact CD1-CD2 4.03Å; L287-W345 HydrophobicContact CD1-CE3 3.77Å; L287-W345 HydrophobicContact CD1-CZ3 4.07Å; E288-W345 PolarHBondContact OE2-NE1 3.45Å; L291-W345 HydrophobicContact CB-CZ2 4.16Å; L291-W345 HydrophobicContact CD2-CZ2 4.16Å; K341-W345 WeakPolarHBondContact O-CB 3.49Å; K341-W345 PolarHBondContact O-N 2.92Å; L342-W345 PolarHBondContact O-N 2.98Å; W345-S347 PolarHBondContact O-N 3.47Å; W345-Q348 PolarHBondContact O-N 3.34Å; W345-K360 HydrophobicContact CZ2-CB 4.37Å; W345-K360 HydrophobicContact CZ2-CD 4.43Å; W345-W361 HydrophobicContact CZ3-CE3 4.06Å |
| 346 | M | 92.1 | Very high | 84.8 | Confident | 19 Ų | 19 | 74.4 Ų | 74.4 | 9% | 0.094 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.8 | -36.8 | 177.6 | -69.9 | 173.1 | 81.4 | 0 | 0 | 112.1 | L321 L342 A343 L344 N359 W361 F462 Y466 | L321-M346 HydrophobicContact CD2-CE 4.48Å; L342-M346 HydrophobicContact CD1-CG 4.22Å; L342-M346 HydrophobicContact CD1-SD 4.11Å; L342-M346 HydrophobicContact CG-SD 3.96Å; L342-M346 VanDerWaalsContact O-CG 3.25Å; L342-M346 WeakPolarHBondContact O-CG 3.49Å; L342-M346 PolarHBondContact O-N 2.98Å; A343-M346 PolarHBondContact O-N 2.88Å; L344-M346 VanDerWaalsContact C-N 3.34Å; L344-M346 PolarHBondContact O-N 2.88Å; M346-N359 WeakPolarHBondContact O-CB 3.26Å; M346-N359 PolarHBondContact O-OD1 3.48Å; M346-W361 HydrophobicContact CB-CB 3.83Å; M346-W361 HydrophobicContact CB-CG 4.32Å; M346-W361 HydrophobicContact CE-CB 4.35Å; M346-W361 HydrophobicContact CE-CD2 3.52Å; M346-W361 HydrophobicContact CE-CE3 4.19Å; M346-W361 HydrophobicContact CE-CG 3.56Å; M346-W361 HydrophobicContact CE-CZ2 4.17Å; M346-W361 HydrophobicContact CG-CB 4.11Å; M346-W361 HydrophobicContact CG-CD2 4.37Å; M346-W361 HydrophobicContact CG-CE3 4.47Å; M346-W361 HydrophobicContact CG-CG 4.23Å; M346-W361 WeakPolarHBondContact O-CB 3.31Å; M346-W361 PolarHBondContact O-N 2.88Å; M346-F462 HydrophobicContact CE-CE2 4.12Å; M346-Y466 HydrophobicContact CE-CD1 4.07Å; M346-Y466 HydrophobicContact CE-CE1 3.91Å; M346-Y466 HydrophobicContact SD-CE1 3.98Å |
| 347 | S | 90 | Very high | 84.1 | Confident | 79 Ų | 79 | 75.3 Ų | 75.3 | 55% | 0.552 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -84.4 | -11.5 | -179 | 71.7 | 0 | 0 | 0 | 0 | 115.3 | A343 L344 W345 | A343-S347 WeakPolarHBondContact O-CB 3.49Å; A343-S347 PolarHBondContact O-N 3.02Å; A343-S347 PolarHBondContact O-OG 3.45Å; L344-S347 PolarHBondContact O-N 3.16Å; L344-S347 VanDerWaalsContact O-N 3.12Å; L344-S347 PolarHBondContact O-OG 3.27Å; W345-S347 PolarHBondContact O-N 3.47Å |
| 348 | Q | 92.1 | Very high | 83.7 | Confident | 55 Ų | 55 | 70.9 Ų | 70.9 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -63.3 | 138.6 | -176.2 | -83.5 | 174.7 | 5.8 | 0 | 0 | 111.5 | L344 W345 N359 K360 | L344-Q348 HydrophobicContact CD2-CG 4.26Å; L344-Q348 WeakPolarHBondContact O-CG 3.3Å; L344-Q348 PolarHBondContact O-N 2.82Å; W345-Q348 PolarHBondContact O-N 3.34Å; Q348-N359 CarbonylContact O-C 3.33Å; Q348-N359 WeakPolarHBondContact O-CA 3.25Å; Q348-K360 HydrophobicContact CB-CD 3.99Å; Q348-K360 HydrophobicContact CB-CG 4.27Å; Q348-K360 PolarHBondContact O-N 3.15Å |
| 349 | P | 88.1 | Confident | 83.6 | Confident | 100 Ų | 100 | 73.1 Ų | 73.1 | 65% | 0.649 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 139.1 | 174.3 | 28.3 | -33.8 | 0 | 0 | 0 | 110.6 | I357 S358 | P349-I357 HydrophobicContact CB-CG2 3.76Å; P349-S358 CarbonylContact C-O 3.52Å; P349-S358 WeakPolarHBondContact CA-O 3.45Å |
| 350 | Y | 84.4 | Confident | 83.7 | Confident | 58 Ų | 58 | 70.9 Ų | 70.9 | 23% | 0.227 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 128.3 | 176.4 | -165.7 | -99.1 | 0 | 0 | 0 | 109 | L291 L352 S358 K360 Y363 | L291-Y350 HydrophobicContact CD2-CD2 4.25Å; L291-Y350 HydrophobicContact CD2-CE2 4.01Å; Y350-L352 PolarHBondContact O-N 2.72Å; Y350-S358 PolarHBondContact N-O 3.29Å; Y350-S358 PolarHBondContact O-N 3.33Å; Y350-K360 HydrophobicContact CD2-CD 4.49Å; Y350-K360 HydrophobicContact CD2-CG 3.87Å; Y350-K360 HydrophobicContact CG-CG 4.14Å; Y350-Y363 AromaticContact CD1-CD1 3.46Å; Y350-Y363 HydrophobicContact CD1-CD1 3.46Å; Y350-Y363 VanDerWaalsContact CD1-CD1 3.46Å; Y350-Y363 AromaticContact CD1-CE1 3.94Å; Y350-Y363 HydrophobicContact CD1-CE1 3.94Å; Y350-Y363 HydrophobicContact CD1-CG 4.05Å; Y350-Y363 AromaticContact CE1-CD1 3.36Å; Y350-Y363 HydrophobicContact CE1-CD1 3.36Å; Y350-Y363 AromaticContact CE1-CE1 3.34Å; Y350-Y363 HydrophobicContact CE1-CE1 3.34Å; Y350-Y363 HydrophobicContact CE1-CG 4.3Å; Y350-Y363 HydrophobicContact CG-CD1 4.41Å |
| 351 | Q | 78.8 | Confident | 83.8 | Confident | 149 Ų | 149 | 62.4 Ų | 62.4 | 70% | 0.696 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 113.5 | 177.4 | -170.5 | 173.8 | 6.4 | 0 | 0 | 109 | ||
| 352 | L | 70.8 | Confident | 83.7 | Confident | 26 Ų | 26 | 61.4 Ų | 61.4 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | trans | -67.6 | 155.5 | 177.3 | -64.7 | 166.1 | 0 | 0 | 0 | 110.5 | Y350 S354 G355 Q356 Y363 | Y350-L352 PolarHBondContact O-N 2.72Å; L352-S354 WeakPolarHBondContact CB-OG 3.22Å; L352-S354 PolarHBondContact O-N 2.93Å; L352-S354 VanDerWaalsContact O-N 3.09Å; L352-G355 PolarHBondContact O-N 3.41Å; L352-Q356 VanDerWaalsContact CB-O 3.29Å; L352-Q356 WeakPolarHBondContact CB-O 3.14Å; L352-Q356 HydrophobicContact CD1-CB 3.8Å; L352-Q356 WeakPolarHBondContact CG-O 3.31Å; L352-Q356 PolarHBondContact N-O 3.22Å; L352-Y363 HydrophobicContact CD2-CD1 4.41Å; L352-Y363 HydrophobicContact CD2-CD2 3Å; L352-Y363 HydrophobicContact CD2-CE2 3.5Å; L352-Y363 HydrophobicContact CD2-CG 3.53Å | ||
| 353 | P | 68.1 | Low | 83.6 | Confident | 113 Ų | 113 | 62.6 Ų | 62.6 | 73% | 0.734 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.4 | 169.9 | -24.9 | 34 | 0 | 0 | 0 | 113.3 | G355 | P353-G355 PolarHBondContact O-N 3.16Š|
| 354 | S | 66.3 | Low | 83.8 | Confident | 85 Ų | 85 | 60 Ų | 60 | 59% | 0.594 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -7.1 | 175.3 | 62 | 0 | 0 | 0 | 0 | 114.4 | L352 Q356 | L352-S354 WeakPolarHBondContact CB-OG 3.22Å; L352-S354 PolarHBondContact O-N 2.93Å; L352-S354 VanDerWaalsContact O-N 3.09Å; S354-Q356 VanDerWaalsContact C-N 3.29Å; S354-Q356 PolarHBondContact O-N 2.99Å |
| 355 | G | 71.6 | Confident | 83.8 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 47% | 0.474 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 83.8 | -7.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | L352 P353 | L352-G355 PolarHBondContact O-N 3.41Å; P353-G355 PolarHBondContact O-N 3.16Å |
| 356 | Q | 73.9 | Confident | 83.6 | Confident | 138 Ų | 138 | 56.9 Ų | 56.9 | 65% | 0.645 | 32% | 0.322 | S | S | * | . | trans | -73 | 149.9 | 172.6 | -72.5 | 177.6 | -18.7 | 0 | 0 | 111.2 | L352 S354 | L352-Q356 VanDerWaalsContact CB-O 3.29Å; L352-Q356 WeakPolarHBondContact CB-O 3.14Å; L352-Q356 HydrophobicContact CD1-CB 3.8Å; L352-Q356 WeakPolarHBondContact CG-O 3.31Å; L352-Q356 PolarHBondContact N-O 3.22Å; S354-Q356 VanDerWaalsContact C-N 3.29Å; S354-Q356 PolarHBondContact O-N 2.99Å | ||
| 357 | I | 72.1 | Confident | 83.5 | Confident | 132 Ų | 132 | 56 Ų | 56 | 68% | 0.677 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 116.4 | 175 | -58.3 | 173 | 0 | 0 | 0 | 107.8 | P349 | P349-I357 HydrophobicContact CB-CG2 3.76Å |
| 358 | S | 81.7 | Confident | 83.6 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 19% | 0.189 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 176.1 | 165.4 | 69.1 | 0 | 0 | 0 | 0 | 109.2 | P349 Y350 | P349-S358 CarbonylContact C-O 3.52Å; P349-S358 WeakPolarHBondContact CA-O 3.45Å; Y350-S358 PolarHBondContact N-O 3.29Å; Y350-S358 PolarHBondContact O-N 3.33Å |
| 359 | N | 88.9 | Confident | 83.5 | Confident | 48 Ų | 48 | 49.9 Ų | 49.9 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 156 | 168 | 69.9 | 54.3 | 0 | 0 | 0 | 110.6 | M346 Q348 W361 T362 Y363 | M346-N359 WeakPolarHBondContact O-CB 3.26Å; M346-N359 PolarHBondContact O-OD1 3.48Å; Q348-N359 CarbonylContact O-C 3.33Å; Q348-N359 WeakPolarHBondContact O-CA 3.25Å; N359-W361 PolarHBondContact O-N 3.31Å; N359-W361 PolarHBondContact OD1-N 3.33Å; N359-W361 VanDerWaalsContact OD1-N 3.17Å; N359-T362 PolarHBondContact ND2-OG1 3.47Å; N359-T362 PolarHBondContact O-N 3.44Å; N359-T362 WeakPolarHBondContact OD1-CB 3.33Å; N359-T362 PolarHBondContact OD1-N 3.1Å; N359-T362 PolarHBondContact OD1-OG1 3.24Å; N359-Y363 PolarHBondContact O-N 2.85Å; N359-Y363 VanDerWaalsContact O-N 3.13Å |
| 360 | K | 91.4 | Very high | 83.4 | Confident | 18 Ų | 18 | 49.8 Ų | 49.8 | 8% | 0.078 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.8 | -39.8 | -179.1 | -75.8 | -176.1 | 176.5 | -179.5 | 0 | 112.6 | E288 L291 W345 Q348 Y350 Y363 F364 | E288-K360 IonicContact OE1-NZ 3.07Å; E288-K360 PolarHBondContact OE1-NZ 3.4Å; E288-K360 WeakPolarHBondContact OE2-CE 3.31Å; E288-K360 IonicContact OE2-NZ 3Å; E288-K360 PolarHBondContact OE2-NZ 3.41Å; L291-K360 HydrophobicContact CD2-CB 4.34Å; L291-K360 HydrophobicContact CD2-CD 4.41Å; L291-K360 HydrophobicContact CD2-CG 4.24Å; W345-K360 HydrophobicContact CZ2-CB 4.37Å; W345-K360 HydrophobicContact CZ2-CD 4.43Å; Q348-K360 HydrophobicContact CB-CD 3.99Å; Q348-K360 HydrophobicContact CB-CG 4.27Å; Q348-K360 PolarHBondContact O-N 3.15Å; Y350-K360 HydrophobicContact CD2-CD 4.49Å; Y350-K360 HydrophobicContact CD2-CG 3.87Å; Y350-K360 HydrophobicContact CG-CG 4.14Å; K360-Y363 PolarHBondContact O-N 3.27Å; K360-F364 WeakPolarHBondContact O-CB 3.28Å; K360-F364 PolarHBondContact O-N 3.14Å |
| 361 | W | 92.1 | Very high | 83.3 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 3% | 0.034 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.6 | -46.7 | -178.3 | -177.9 | -117.9 | 0 | 0 | 0 | 112.8 | T317 L321 W345 M346 N359 Y363 F364 M365 I458 F462 | T317-W361 HydrophobicContact CG2-CZ3 4.44Å; L321-W361 HydrophobicContact CD1-CH2 3.62Å; L321-W361 HydrophobicContact CD1-CZ2 4.2Å; L321-W361 HydrophobicContact CD2-CH2 3.67Å; L321-W361 HydrophobicContact CD2-CZ2 3.95Å; L321-W361 HydrophobicContact CD2-CZ3 4.25Å; L321-W361 HydrophobicContact CG-CH2 4.18Å; W345-W361 HydrophobicContact CZ3-CE3 4.06Å; M346-W361 HydrophobicContact CB-CB 3.83Å; M346-W361 HydrophobicContact CB-CG 4.32Å; M346-W361 HydrophobicContact CE-CB 4.35Å; M346-W361 HydrophobicContact CE-CD2 3.52Å; M346-W361 HydrophobicContact CE-CE3 4.19Å; M346-W361 HydrophobicContact CE-CG 3.56Å; M346-W361 HydrophobicContact CE-CZ2 4.17Å; M346-W361 HydrophobicContact CG-CB 4.11Å; M346-W361 HydrophobicContact CG-CD2 4.37Å; M346-W361 HydrophobicContact CG-CE3 4.47Å; M346-W361 HydrophobicContact CG-CG 4.23Å; M346-W361 WeakPolarHBondContact O-CB 3.31Å; M346-W361 PolarHBondContact O-N 2.88Å; N359-W361 PolarHBondContact O-N 3.31Å; N359-W361 PolarHBondContact OD1-N 3.33Å; N359-W361 VanDerWaalsContact OD1-N 3.17Å; W361-Y363 VanDerWaalsContact C-N 3.28Å; W361-Y363 PolarHBondContact O-N 2.87Å; W361-F364 HydrophobicContact CE3-CB 4.28Å; W361-F364 AromaticContact CE3-CD1 3.88Å; W361-F364 HydrophobicContact CE3-CD1 3.88Å; W361-F364 HydrophobicContact CE3-CG 4.39Å; W361-F364 HydrophobicContact CH2-CD1 4.09Å; W361-F364 HydrophobicContact CH2-CE1 4.36Å; W361-F364 AromaticContact CZ3-CD1 3.39Å; W361-F364 HydrophobicContact CZ3-CD1 3.39Å; W361-F364 AromaticContact CZ3-CE1 3.85Å; W361-F364 HydrophobicContact CZ3-CE1 3.85Å; W361-F364 HydrophobicContact CZ3-CG 4.28Å; W361-F364 WeakPolarHBondContact O-CB 3.32Å; W361-F364 PolarHBondContact O-N 3.31Å; W361-F364 VanDerWaalsContact O-N 3.12Å; W361-M365 HydrophobicContact CD2-CG 4.02Å; W361-M365 HydrophobicContact CD2-SD 4.33Å; W361-M365 HydrophobicContact CE3-SD 4.48Å; W361-M365 HydrophobicContact CG-CG 4.44Å; W361-M365 HydrophobicContact CH2-CG 4.32Å; W361-M365 HydrophobicContact CH2-SD 3.38Å; W361-M365 WeakPolarHBondContact CH2-SD 3.22Å; W361-M365 HydrophobicContact CZ2-CE 4.01Å; W361-M365 HydrophobicContact CZ2-CG 3.8Å; W361-M365 HydrophobicContact CZ2-SD 3.21Å; W361-M365 WeakPolarHBondContact CZ2-SD 3.39Å; W361-M365 HydrophobicContact CZ3-SD 4.06Å; W361-M365 WeakPolarHBondContact O-CG 3.24Å; W361-M365 PolarHBondContact O-N 3.34Å; W361-I458 HydrophobicContact CH2-CG2 4.1Å; W361-F462 AromaticContact CD1-CE2 3.96Å; W361-F462 AromaticContact CD1-CZ 3.61Å; W361-F462 AromaticContact CE2-CE2 3.97Å; W361-F462 HydrophobicContact CZ2-CB 4.44Å; W361-F462 HydrophobicContact CZ2-CD1 4.36Å; W361-F462 AromaticContact CZ2-CD2 3.94Å; W361-F462 HydrophobicContact CZ2-CD2 3.94Å; W361-F462 HydrophobicContact CZ2-CE2 4.34Å; W361-F462 HydrophobicContact CZ2-CG 4.01Å; W361-F462 AromaticContact NE1-CD1 3.81Å; W361-F462 AromaticContact NE1-CD2 3.61Å; W361-F462 AromaticContact NE1-CE1 3.3Å; W361-F462 VanDerWaalsContact NE1-CE1 3.3Å; W361-F462 AromaticContact NE1-CE2 3.13Å; W361-F462 AromaticContact NE1-CG 3.97Å; W361-F462 AromaticContact NE1-CZ 2.97Å |
| 362 | T | 90 | Very high | 83.7 | Confident | 28 Ų | 28 | 44.3 Ų | 44.3 | 17% | 0.172 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.4 | -43 | 175.5 | -60.7 | 0 | 0 | 0 | 0 | 110.5 | N359 M365 M366 V472 | N359-T362 PolarHBondContact ND2-OG1 3.47Å; N359-T362 PolarHBondContact O-N 3.44Å; N359-T362 WeakPolarHBondContact OD1-CB 3.33Å; N359-T362 PolarHBondContact OD1-N 3.1Å; N359-T362 PolarHBondContact OD1-OG1 3.24Å; T362-M365 PolarHBondContact O-N 2.73Å; T362-M366 WeakPolarHBondContact O-CB 3.36Å; T362-M366 WeakPolarHBondContact O-CG 3.45Å; T362-M366 PolarHBondContact O-N 3.07Å; T362-V472 HydrophobicContact CG2-CG1 4.46Å |
| 363 | Y | 89.2 | Confident | 84.6 | Confident | 32 Ų | 32 | 43.1 Ų | 43.1 | 13% | 0.125 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 175.2 | -179.2 | -125.7 | 0 | 0 | 0 | 112.9 | L291 S295 Y350 L352 N359 K360 W361 M366 S367 | L291-Y363 HydrophobicContact CD1-CD1 3.89Å; L291-Y363 HydrophobicContact CD1-CE1 4.33Å; S295-Y363 WeakPolarHBondContact OG-CE1 3.25Å; Y350-Y363 AromaticContact CD1-CD1 3.46Å; Y350-Y363 HydrophobicContact CD1-CD1 3.46Å; Y350-Y363 VanDerWaalsContact CD1-CD1 3.46Å; Y350-Y363 AromaticContact CD1-CE1 3.94Å; Y350-Y363 HydrophobicContact CD1-CE1 3.94Å; Y350-Y363 HydrophobicContact CD1-CG 4.05Å; Y350-Y363 AromaticContact CE1-CD1 3.36Å; Y350-Y363 HydrophobicContact CE1-CD1 3.36Å; Y350-Y363 AromaticContact CE1-CE1 3.34Å; Y350-Y363 HydrophobicContact CE1-CE1 3.34Å; Y350-Y363 HydrophobicContact CE1-CG 4.3Å; Y350-Y363 HydrophobicContact CG-CD1 4.41Å; L352-Y363 HydrophobicContact CD2-CD1 4.41Å; L352-Y363 HydrophobicContact CD2-CD2 3Å; L352-Y363 HydrophobicContact CD2-CE2 3.5Å; L352-Y363 HydrophobicContact CD2-CG 3.53Å; N359-Y363 PolarHBondContact O-N 2.85Å; N359-Y363 VanDerWaalsContact O-N 3.13Å; K360-Y363 PolarHBondContact O-N 3.27Å; W361-Y363 VanDerWaalsContact C-N 3.28Å; W361-Y363 PolarHBondContact O-N 2.87Å; Y363-M366 PolarHBondContact O-N 2.94Å; Y363-S367 WeakPolarHBondContact O-CB 3.49Å; Y363-S367 PolarHBondContact O-N 3.02Å; Y363-S367 PolarHBondContact O-OG 3.04Å |
| 364 | F | 92.4 | Very high | 85.5 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.5 | -48 | 174.5 | -173.7 | -100.2 | 0 | 0 | 0 | 111.5 | I290 L291 V294 L314 T317 K360 W361 S367 L368 | I290-F364 HydrophobicContact CG2-CE2 4.12Å; I290-F364 HydrophobicContact CG2-CZ 4.43Å; L291-F364 HydrophobicContact CB-CD2 4.33Å; L291-F364 HydrophobicContact CD1-CB 3.88Å; L291-F364 HydrophobicContact CD1-CD2 3.73Å; L291-F364 HydrophobicContact CD1-CG 4.3Å; V294-F364 HydrophobicContact CB-CE2 3.96Å; V294-F364 HydrophobicContact CG1-CD2 4.45Å; V294-F364 HydrophobicContact CG1-CE2 3.94Å; V294-F364 HydrophobicContact CG1-CZ 4.44Å; V294-F364 HydrophobicContact CG2-CE2 4.07Å; L314-F364 HydrophobicContact CD2-CZ 4.26Å; T317-F364 HydrophobicContact CG2-CE1 3.71Å; T317-F364 HydrophobicContact CG2-CZ 3.86Å; K360-F364 WeakPolarHBondContact O-CB 3.28Å; K360-F364 PolarHBondContact O-N 3.14Å; W361-F364 HydrophobicContact CE3-CB 4.28Å; W361-F364 AromaticContact CE3-CD1 3.88Å; W361-F364 HydrophobicContact CE3-CD1 3.88Å; W361-F364 HydrophobicContact CE3-CG 4.39Å; W361-F364 HydrophobicContact CH2-CD1 4.09Å; W361-F364 HydrophobicContact CH2-CE1 4.36Å; W361-F364 AromaticContact CZ3-CD1 3.39Å; W361-F364 HydrophobicContact CZ3-CD1 3.39Å; W361-F364 AromaticContact CZ3-CE1 3.85Å; W361-F364 HydrophobicContact CZ3-CE1 3.85Å; W361-F364 HydrophobicContact CZ3-CG 4.28Å; W361-F364 WeakPolarHBondContact O-CB 3.32Å; W361-F364 PolarHBondContact O-N 3.31Å; W361-F364 VanDerWaalsContact O-N 3.12Å; F364-S367 WeakPolarHBondContact O-CB 2.97Å; F364-S367 PolarHBondContact O-N 2.89Å; F364-L368 HydrophobicContact CD1-CD1 3.86Å; F364-L368 HydrophobicContact CD1-CG 4.21Å; F364-L368 HydrophobicContact CE1-CD1 3.4Å; F364-L368 VanDerWaalsContact CE1-CD1 3.4Å; F364-L368 HydrophobicContact CE1-CD2 4.38Å; F364-L368 HydrophobicContact CE1-CG 3.89Å; F364-L368 HydrophobicContact CZ-CD1 4.11Å; F364-L368 HydrophobicContact CZ-CD2 4.28Å; F364-L368 HydrophobicContact CZ-CG 4.24Å; F364-L368 WeakPolarHBondContact O-CG 3.2Å; F364-L368 PolarHBondContact O-N 3.24Å |
| 365 | M | 92.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.6 | -40.6 | 179.3 | -64 | -53.3 | -80 | 0 | 0 | 112.4 | W361 T362 S367 L368 F369 I458 F459 F462 L473 I476 | W361-M365 HydrophobicContact CD2-CG 4.02Å; W361-M365 HydrophobicContact CD2-SD 4.33Å; W361-M365 HydrophobicContact CE3-SD 4.48Å; W361-M365 HydrophobicContact CG-CG 4.44Å; W361-M365 HydrophobicContact CH2-CG 4.32Å; W361-M365 HydrophobicContact CH2-SD 3.38Å; W361-M365 WeakPolarHBondContact CH2-SD 3.22Å; W361-M365 HydrophobicContact CZ2-CE 4.01Å; W361-M365 HydrophobicContact CZ2-CG 3.8Å; W361-M365 HydrophobicContact CZ2-SD 3.21Å; W361-M365 WeakPolarHBondContact CZ2-SD 3.39Å; W361-M365 HydrophobicContact CZ3-SD 4.06Å; W361-M365 WeakPolarHBondContact O-CG 3.24Å; W361-M365 PolarHBondContact O-N 3.34Å; T362-M365 PolarHBondContact O-N 2.73Å; M365-S367 VanDerWaalsContact C-N 3.33Å; M365-S367 PolarHBondContact O-N 3.25Å; M365-L368 WeakPolarHBondContact O-CB 3.19Å; M365-L368 PolarHBondContact O-N 2.79Å; M365-L368 HydrophobicContact SD-CD1 4.04Å; M365-F369 PolarHBondContact O-N 3Å; M365-I458 HydrophobicContact CE-CG2 3.91Å; M365-I458 HydrophobicContact SD-CG2 3.93Å; M365-F459 HydrophobicContact CB-CE1 4.28Å; M365-F459 HydrophobicContact CE-CD1 3.1Å; M365-F459 HydrophobicContact CE-CE1 3.19Å; M365-F459 HydrophobicContact CE-CG 3.89Å; M365-F459 HydrophobicContact CE-CZ 4.01Å; M365-F459 HydrophobicContact SD-CE1 4.44Å; M365-F462 HydrophobicContact CE-CB 4.43Å; M365-F462 HydrophobicContact CE-CD1 4.05Å; M365-L473 HydrophobicContact CE-CD2 4.35Å; M365-I476 HydrophobicContact CB-CD1 3.64Å |
| 366 | M | 89.7 | Confident | 86.6 | Confident | 31 Ų | 31 | 37 Ų | 37 | 15% | 0.153 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 171 | -78.5 | -62.6 | -67.1 | 0 | 0 | 111.4 | T362 Y363 L368 F369 E370 I476 | T362-M366 WeakPolarHBondContact O-CB 3.36Å; T362-M366 WeakPolarHBondContact O-CG 3.45Å; T362-M366 PolarHBondContact O-N 3.07Å; Y363-M366 PolarHBondContact O-N 2.94Å; M366-L368 VanDerWaalsContact C-N 3.31Å; M366-L368 PolarHBondContact O-N 2.94Å; M366-F369 PolarHBondContact O-N 3.04Å; M366-E370 WeakPolarHBondContact O-CB 3.47Å; M366-E370 WeakPolarHBondContact O-CG 3.34Å; M366-E370 PolarHBondContact O-N 3.41Å; M366-I476 HydrophobicContact CG-CD1 4.36Å; M366-I476 HydrophobicContact CG-CG1 3.96Å; M366-I476 HydrophobicContact SD-CB 3.86Å; M366-I476 HydrophobicContact SD-CD1 4.33Å; M366-I476 HydrophobicContact SD-CG1 3.57Å; M366-I476 VanDerWaalsContact SD-CG1 3.57Å; M366-I476 HydrophobicContact SD-CG2 3.52Å; M366-I476 VanDerWaalsContact SD-CG2 3.52Å |
| 367 | S | 89 | Confident | 86.7 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 178.7 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | S295 Y363 F364 M365 H371 | S295-S367 WeakPolarHBondContact CB-OG 3.49Å; S295-S367 WeakPolarHBondContact OG-CB 3.5Å; S295-S367 PolarHBondContact OG-OG 3.42Å; Y363-S367 WeakPolarHBondContact O-CB 3.49Å; Y363-S367 PolarHBondContact O-N 3.02Å; Y363-S367 PolarHBondContact O-OG 3.04Å; F364-S367 WeakPolarHBondContact O-CB 2.97Å; F364-S367 PolarHBondContact O-N 2.89Å; M365-S367 VanDerWaalsContact C-N 3.33Å; M365-S367 PolarHBondContact O-N 3.25Å; S367-H371 VanDerWaalsContact O-CB 3.3Å; S367-H371 WeakPolarHBondContact O-CB 3.29Å; S367-H371 PolarHBondContact O-N 3.41Å; S367-H371 PolarHBondContact O-ND1 3.44Å |
| 368 | L | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 173.6 | -76.2 | -175.2 | 0 | 0 | 0 | 112.1 | V294 L314 F364 M365 M366 W372 F373 T455 I458 F459 | V294-L368 HydrophobicContact CG1-CD2 3.72Å; V294-L368 HydrophobicContact CG1-CG 4.38Å; L314-L368 HydrophobicContact CD2-CD2 3.69Å; F364-L368 HydrophobicContact CD1-CD1 3.86Å; F364-L368 HydrophobicContact CD1-CG 4.21Å; F364-L368 HydrophobicContact CE1-CD1 3.4Å; F364-L368 VanDerWaalsContact CE1-CD1 3.4Å; F364-L368 HydrophobicContact CE1-CD2 4.38Å; F364-L368 HydrophobicContact CE1-CG 3.89Å; F364-L368 HydrophobicContact CZ-CD1 4.11Å; F364-L368 HydrophobicContact CZ-CD2 4.28Å; F364-L368 HydrophobicContact CZ-CG 4.24Å; F364-L368 WeakPolarHBondContact O-CG 3.2Å; F364-L368 PolarHBondContact O-N 3.24Å; M365-L368 WeakPolarHBondContact O-CB 3.19Å; M365-L368 PolarHBondContact O-N 2.79Å; M365-L368 HydrophobicContact SD-CD1 4.04Å; M366-L368 VanDerWaalsContact C-N 3.31Å; M366-L368 PolarHBondContact O-N 2.94Å; L368-W372 CarbonylContact O-C 3.51Å; L368-W372 WeakPolarHBondContact O-CA 3.45Å; L368-W372 WeakPolarHBondContact O-CB 3.32Å; L368-W372 PolarHBondContact O-N 3.39Å; L368-F373 PolarHBondContact O-N 3.47Å; L368-F373 VanDerWaalsContact O-N 3.1Å; L368-T455 HydrophobicContact CB-CG2 3.76Å; L368-T455 HydrophobicContact CD1-CG2 4.35Å; L368-T455 HydrophobicContact CD2-CG2 4.43Å; L368-T455 HydrophobicContact CG-CG2 4.41Å; L368-I458 HydrophobicContact CD1-CB 4.41Å; L368-I458 HydrophobicContact CD1-CD1 4.16Å; L368-I458 HydrophobicContact CD1-CG2 3.82Å; L368-F459 HydrophobicContact CB-CE2 4.5Å; L368-F459 HydrophobicContact CB-CZ 4.44Å |
| 369 | F | 90.3 | Very high | 86.9 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -59.5 | -52.1 | 177.8 | -176.2 | -93.1 | 0 | 0 | 0 | 111.5 | M365 M366 H371 F373 F459 I480 A492 V493 F496 | M365-F369 PolarHBondContact O-N 3Å; M366-F369 PolarHBondContact O-N 3.04Å; F369-H371 PolarHBondContact O-N 2.87Å; F369-F373 HydrophobicContact CD2-CB 4.3Å; F369-F373 AromaticContact CD2-CD1 3.84Å; F369-F373 HydrophobicContact CD2-CD1 3.84Å; F369-F373 HydrophobicContact CD2-CE1 4.44Å; F369-F373 HydrophobicContact CD2-CG 4.14Å; F369-F373 AromaticContact CE2-CD1 3.73Å; F369-F373 HydrophobicContact CE2-CD1 3.73Å; F369-F373 HydrophobicContact CE2-CE1 4.1Å; F369-F373 HydrophobicContact CE2-CG 4.48Å; F369-F373 VanDerWaalsContact O-CB 3.28Å; F369-F373 WeakPolarHBondContact O-CB 3.35Å; F369-F373 PolarHBondContact O-N 3.46Å; F369-F459 HydrophobicContact CB-CZ 4.08Å; F369-I480 HydrophobicContact CD1-CD1 3.64Å; F369-I480 HydrophobicContact CD1-CG1 4.41Å; F369-I480 HydrophobicContact CE1-CD1 3.24Å; F369-I480 HydrophobicContact CE1-CG1 4.06Å; F369-I480 HydrophobicContact CE2-CD1 4.28Å; F369-I480 HydrophobicContact CG-CD1 4.33Å; F369-I480 HydrophobicContact CZ-CD1 3.6Å; F369-A492 HydrophobicContact CE2-CB 4.21Å; F369-A492 HydrophobicContact CZ-CB 3.82Å; F369-V493 HydrophobicContact CZ-CG2 3.85Å; F369-F496 HydrophobicContact CE2-CB 4.08Å; F369-F496 HydrophobicContact CE2-CG 4.33Å |
| 370 | E | 85.7 | Confident | 86.6 | Confident | 99 Ų | 99 | 28.8 Ų | 28.8 | 46% | 0.463 | 15% | 0.149 | S | C | . | . | I | π-helix | trans | -69.3 | -36 | -173.8 | -69.7 | 178.9 | 163.2 | 0 | 0 | 113.4 | M366 I374 | M366-E370 WeakPolarHBondContact O-CB 3.47Å; M366-E370 WeakPolarHBondContact O-CG 3.34Å; M366-E370 PolarHBondContact O-N 3.41Å; E370-I374 WeakPolarHBondContact O-CD1 3.5Å |
| 371 | H | 83.3 | Confident | 86.1 | Confident | 54 Ų | 54 | 33.6 Ų | 33.6 | 25% | 0.25 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -105.6 | -25.3 | -170.1 | -58.3 | 95.1 | 0 | 0 | 0 | 114.5 | S367 F369 | S367-H371 VanDerWaalsContact O-CB 3.3Å; S367-H371 WeakPolarHBondContact O-CB 3.29Å; S367-H371 PolarHBondContact O-N 3.41Å; S367-H371 PolarHBondContact O-ND1 3.44Å; F369-H371 PolarHBondContact O-N 2.87Å |
| 372 | W | 87 | Confident | 85.7 | Confident | 38 Ų | 38 | 35 Ų | 35 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -128.2 | -8.3 | -168.4 | -56.3 | 102.3 | 0 | 0 | 0 | 114.1 | K305 V310 L368 C451 R452 | K305-W372 HydrophobicContact CB-CH2 4.34Å; V310-W372 HydrophobicContact CB-CH2 4.24Å; V310-W372 HydrophobicContact CB-CZ2 4.35Å; V310-W372 HydrophobicContact CG1-CH2 4.16Å; V310-W372 HydrophobicContact CG1-CZ2 3.92Å; V310-W372 HydrophobicContact CG2-CH2 4.08Å; V310-W372 HydrophobicContact CG2-CZ2 4.03Å; L368-W372 CarbonylContact O-C 3.51Å; L368-W372 WeakPolarHBondContact O-CA 3.45Å; L368-W372 WeakPolarHBondContact O-CB 3.32Å; L368-W372 PolarHBondContact O-N 3.39Å; W372-C451 HydrophobicContact CD2-CB 4.28Å; W372-C451 HydrophobicContact CE3-CB 3.51Å; W372-C451 HydrophobicContact CZ3-CB 4.01Å; W372-R452 VanDerWaalsContact O-CA 3.25Å; W372-R452 WeakPolarHBondContact O-CA 3.29Å; W372-R452 WeakPolarHBondContact O-CB 3.23Å |
| 373 | F | 89.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -97.5 | -30.3 | -179.3 | -165.2 | -97.1 | 0 | 0 | 0 | 114.4 | L368 F369 T455 E456 F459 A492 R495 F496 L499 | L368-F373 PolarHBondContact O-N 3.47Å; L368-F373 VanDerWaalsContact O-N 3.1Å; F369-F373 HydrophobicContact CD2-CB 4.3Å; F369-F373 AromaticContact CD2-CD1 3.84Å; F369-F373 HydrophobicContact CD2-CD1 3.84Å; F369-F373 HydrophobicContact CD2-CE1 4.44Å; F369-F373 HydrophobicContact CD2-CG 4.14Å; F369-F373 AromaticContact CE2-CD1 3.73Å; F369-F373 HydrophobicContact CE2-CD1 3.73Å; F369-F373 HydrophobicContact CE2-CE1 4.1Å; F369-F373 HydrophobicContact CE2-CG 4.48Å; F369-F373 VanDerWaalsContact O-CB 3.28Å; F369-F373 WeakPolarHBondContact O-CB 3.35Å; F369-F373 PolarHBondContact O-N 3.46Å; F373-T455 HydrophobicContact CB-CG2 4.28Å; F373-T455 HydrophobicContact CD2-CG2 4Å; F373-E456 HydrophobicContact CD2-CG 3.98Å; F373-E456 HydrophobicContact CE2-CB 4.47Å; F373-E456 HydrophobicContact CE2-CG 3.52Å; F373-E456 HydrophobicContact CZ-CG 4.37Å; F373-F459 AromaticContact CD2-CD2 3.91Å; F373-F459 HydrophobicContact CD2-CD2 3.91Å; F373-F459 AromaticContact CD2-CE2 3.81Å; F373-F459 HydrophobicContact CD2-CE2 3.81Å; F373-F459 AromaticContact CE2-CD2 3.95Å; F373-F459 HydrophobicContact CE2-CD2 3.95Å; F373-F459 HydrophobicContact CE2-CE2 4.24Å; F373-F459 HydrophobicContact CG-CE2 4.42Å; F373-A492 HydrophobicContact CD1-CB 4.17Å; F373-A492 HydrophobicContact CE1-CB 4.45Å; F373-A492 WeakPolarHBondContact CE1-O 3.47Å; F373-R495 HydrophobicContact CE1-CB 4.37Å; F373-R495 HydrophobicContact CE1-CG 4.4Å; F373-R495 HydrophobicContact CZ-CG 4.24Å; F373-R495 PolarHBondContact O-NH1 2.81Å; F373-R495 PolarHBondContact O-NH2 3.33Å; F373-F496 HydrophobicContact CE1-CB 3.9Å; F373-F496 HydrophobicContact CZ-CB 3.98Å; F373-F496 HydrophobicContact CZ-CD2 4.19Å; F373-L499 HydrophobicContact CE2-CD1 3.73Å; F373-L499 HydrophobicContact CZ-CD1 3.76Å |
| 374 | I | 86.3 | Confident | 85.4 | Confident | 58 Ų | 58 | 32.3 Ų | 32.3 | 30% | 0.297 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -65.8 | 143.8 | -176.3 | -51.5 | 178.2 | 0 | 0 | 0 | 111.1 | E370 | E370-I374 WeakPolarHBondContact O-CD1 3.5Š|
| 375 | L | 84.1 | Confident | 85 | Confident | 11 Ų | 11 | 34.1 Ų | 34.1 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 140.7 | 170.7 | -65 | 178.8 | 0 | 0 | 0 | 111.5 | L380 F383 F417 | L375-L380 HydrophobicContact CB-CD1 4.44Å; L375-L380 HydrophobicContact CB-CD2 4.15Å; L375-L380 HydrophobicContact CB-CG 4.09Å; L375-L380 HydrophobicContact CD1-CD2 3.59Å; L375-L380 HydrophobicContact CD1-CG 4.36Å; L375-F383 HydrophobicContact CD1-CE2 4.11Å; L375-F417 HydrophobicContact CD1-CD2 3.86Å; L375-F417 HydrophobicContact CD1-CE2 3.61Å |
| 376 | T | 78.5 | Confident | 84.8 | Confident | 46 Ų | 46 | 37 Ų | 37 | 28% | 0.282 | 19% | 0.193 | S | C | . | . | P | Polyproline II helix | trans | -70.9 | 150 | 172.7 | 65.6 | 0 | 0 | 0 | 0 | 110.3 | N378 E379 L380 | T376-N378 PolarHBondContact O-N 2.95Å; T376-N378 VanDerWaalsContact O-N 3.13Å; T376-E379 WeakPolarHBondContact CB-OE2 3.49Å; T376-E379 PolarHBondContact N-OE2 3.07Å; T376-E379 PolarHBondContact O-N 3.19Å; T376-E379 VanDerWaalsContact OG1-CD 3.3Å; T376-E379 VanDerWaalsContact OG1-CG 3.24Å; T376-E379 WeakPolarHBondContact OG1-CG 3.5Å; T376-E379 PolarHBondContact OG1-N 3.04Å; T376-E379 PolarHBondContact OG1-OE2 2.71Å; T376-L380 PolarHBondContact O-N 3.42Å |
| 377 | P | 75.6 | Confident | 84.8 | Confident | 100 Ų | 100 | 35.7 Ų | 35.7 | 65% | 0.649 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -53.2 | -34.7 | 175.8 | -28.6 | 35.8 | 0 | 0 | 0 | 113.7 | L380 Q381 | P377-L380 PolarHBondContact O-N 3.17Å; P377-Q381 PolarHBondContact O-N 3.04Å |
| 378 | N | 76.6 | Confident | 84.9 | Confident | 65 Ų | 65 | 36.5 Ų | 36.5 | 35% | 0.348 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.2 | -38.4 | 179.3 | -66.4 | -15 | 0 | 0 | 0 | 112.2 | T376 L380 Q381 F382 V410 | T376-N378 PolarHBondContact O-N 2.95Å; T376-N378 VanDerWaalsContact O-N 3.13Å; N378-L380 VanDerWaalsContact C-N 3.34Å; N378-L380 PolarHBondContact O-N 3Å; N378-Q381 PolarHBondContact O-N 3.37Å; N378-F382 HydrophobicContact CB-CE2 4.33Å; N378-F382 WeakPolarHBondContact O-CD2 3.25Å; N378-F382 PolarHBondContact O-N 3.25Å; N378-V410 HydrophobicContact CB-CB 4.46Å; N378-V410 HydrophobicContact CB-CG1 3.76Å; N378-V410 HydrophobicContact CB-CG2 4.28Å |
| 379 | E | 81.7 | Confident | 84.7 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 177.4 | -73.5 | 167 | 129.3 | 0 | 0 | 112 | T376 Q381 F382 F383 V410 R452 | T376-E379 WeakPolarHBondContact CB-OE2 3.49Å; T376-E379 PolarHBondContact N-OE2 3.07Å; T376-E379 PolarHBondContact O-N 3.19Å; T376-E379 VanDerWaalsContact OG1-CD 3.3Å; T376-E379 VanDerWaalsContact OG1-CG 3.24Å; T376-E379 WeakPolarHBondContact OG1-CG 3.5Å; T376-E379 PolarHBondContact OG1-N 3.04Å; T376-E379 PolarHBondContact OG1-OE2 2.71Å; E379-Q381 VanDerWaalsContact C-N 3.31Å; E379-Q381 PolarHBondContact O-N 2.62Å; E379-F382 PolarHBondContact O-N 3.5Å; E379-F383 HydrophobicContact CB-CE2 4.37Å; E379-F383 VanDerWaalsContact O-CD2 3.29Å; E379-F383 WeakPolarHBondContact O-CD2 3.4Å; E379-F383 VanDerWaalsContact O-CG 3.31Å; E379-F383 WeakPolarHBondContact O-CG 3.38Å; E379-F383 PolarHBondContact O-N 3.45Å; E379-V410 HydrophobicContact CG-CG1 4.07Å; E379-R452 VanDerWaalsContact CD-NH1 3.25Å; E379-R452 IonicContact OE1-CZ 3.35Å; E379-R452 IonicContact OE1-NH1 2.73Å; E379-R452 PolarHBondContact OE1-NH1 2.92Å; E379-R452 IonicContact OE1-NH2 2.71Å; E379-R452 IonicContact OE2-NH1 3.17Å; E379-R452 PolarHBondContact OE2-NH1 3.13Å |
| 380 | L | 81.7 | Confident | 84.5 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.2 | -39.2 | 177.7 | -64.1 | 165 | 0 | 0 | 0 | 112 | L375 T376 P377 N378 T384 Y488 I545 | L375-L380 HydrophobicContact CB-CD1 4.44Å; L375-L380 HydrophobicContact CB-CD2 4.15Å; L375-L380 HydrophobicContact CB-CG 4.09Å; L375-L380 HydrophobicContact CD1-CD2 3.59Å; L375-L380 HydrophobicContact CD1-CG 4.36Å; T376-L380 PolarHBondContact O-N 3.42Å; P377-L380 PolarHBondContact O-N 3.17Å; N378-L380 VanDerWaalsContact C-N 3.34Å; N378-L380 PolarHBondContact O-N 3Å; L380-T384 PolarHBondContact O-N 2.73Å; L380-T384 PolarHBondContact O-OG1 3.22Å; L380-Y488 HydrophobicContact CD1-CD1 3.24Å; L380-Y488 HydrophobicContact CD1-CE1 3.34Å; L380-Y488 HydrophobicContact CD1-CG 4.24Å; L380-I545 HydrophobicContact CD2-CB 4.38Å; L380-I545 HydrophobicContact CD2-CD1 4.17Å; L380-I545 HydrophobicContact CD2-CG1 3.91Å; L380-I545 HydrophobicContact CD2-CG2 3.81Å |
| 381 | Q | 81.9 | Confident | 84.6 | Confident | 119 Ų | 119 | 32.3 Ų | 32.3 | 56% | 0.556 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -63.3 | -45.7 | 174.9 | -171.3 | 175.9 | 4.4 | 0 | 0 | 110.5 | P377 N378 E379 F383 T384 S385 | P377-Q381 PolarHBondContact O-N 3.04Å; N378-Q381 PolarHBondContact O-N 3.37Å; E379-Q381 VanDerWaalsContact C-N 3.31Å; E379-Q381 PolarHBondContact O-N 2.62Å; Q381-F383 PolarHBondContact O-N 3Å; Q381-T384 PolarHBondContact O-N 3.11Å; Q381-T384 PolarHBondContact O-OG1 3.06Å; Q381-S385 VanDerWaalsContact O-CB 3.32Å; Q381-S385 WeakPolarHBondContact O-CB 3.01Å; Q381-S385 PolarHBondContact O-N 2.66Å; Q381-S385 PolarHBondContact O-OG 2.83Å |
| 382 | F | 83.9 | Confident | 84.4 | Confident | 39 Ų | 39 | 30.9 Ų | 30.9 | 17% | 0.171 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.8 | -48 | 178.2 | -73.5 | -55.2 | 0 | 0 | 0 | 112.7 | N378 E379 T384 S385 D386 C390 I396 S398 V410 A412 | N378-F382 HydrophobicContact CB-CE2 4.33Å; N378-F382 WeakPolarHBondContact O-CD2 3.25Å; N378-F382 PolarHBondContact O-N 3.25Å; E379-F382 PolarHBondContact O-N 3.5Å; F382-T384 PolarHBondContact O-N 3.3Å; F382-T384 VanDerWaalsContact O-N 3.11Å; F382-S385 PolarHBondContact O-N 3.27Å; F382-S385 PolarHBondContact O-OG 2.9Å; F382-D386 PolarHBondContact O-N 3.43Å; F382-C390 VanDerWaalsContact C-SG 3.57Å; F382-C390 PolarHBondContact O-SG 3.34Å; F382-C390 VanDerWaalsContact O-SG 3.39Å; F382-I396 HydrophobicContact CD1-CG2 4.27Å; F382-I396 HydrophobicContact CE1-CG2 4.37Å; F382-S398 WeakPolarHBondContact CZ-OG 3.44Å; F382-V410 HydrophobicContact CD2-CG1 4.19Å; F382-V410 HydrophobicContact CE2-CB 4.11Å; F382-V410 HydrophobicContact CE2-CG1 3.77Å; F382-A412 HydrophobicContact CB-CB 3.55Å; F382-A412 HydrophobicContact CD2-CB 4.04Å; F382-A412 HydrophobicContact CG-CB 4.1Å |
| 383 | F | 86.3 | Confident | 83.4 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.9 | -26.3 | -179.3 | -67.3 | -31.6 | 0 | 0 | 0 | 114.4 | L375 E379 Q381 C390 A412 L414 F417 I545 C605 | L375-F383 HydrophobicContact CD1-CE2 4.11Å; E379-F383 HydrophobicContact CB-CE2 4.37Å; E379-F383 VanDerWaalsContact O-CD2 3.29Å; E379-F383 WeakPolarHBondContact O-CD2 3.4Å; E379-F383 VanDerWaalsContact O-CG 3.31Å; E379-F383 WeakPolarHBondContact O-CG 3.38Å; E379-F383 PolarHBondContact O-N 3.45Å; Q381-F383 PolarHBondContact O-N 3Å; F383-C390 HydrophobicContact CD1-CB 4.05Å; F383-A412 HydrophobicContact CD1-CB 4.09Å; F383-A412 HydrophobicContact CE1-CB 3.7Å; F383-A412 HydrophobicContact CZ-CB 4.27Å; F383-L414 HydrophobicContact CB-CD2 3.99Å; F383-L414 HydrophobicContact CD1-CD2 3.32Å; F383-L414 HydrophobicContact CD1-CG 3.62Å; F383-L414 HydrophobicContact CD2-CD2 4.43Å; F383-L414 HydrophobicContact CE1-CD2 3.81Å; F383-L414 HydrophobicContact CE1-CG 4Å; F383-L414 HydrophobicContact CG-CD2 3.68Å; F383-L414 HydrophobicContact CG-CG 4.42Å; F383-F417 HydrophobicContact CD2-CD2 4.35Å; F383-F417 HydrophobicContact CD2-CG 4.46Å; F383-F417 HydrophobicContact CE1-CB 4.3Å; F383-F417 HydrophobicContact CE2-CB 4.07Å; F383-F417 AromaticContact CE2-CD2 3.69Å; F383-F417 HydrophobicContact CE2-CD2 3.69Å; F383-F417 HydrophobicContact CE2-CE2 4.31Å; F383-F417 AromaticContact CE2-CG 3.88Å; F383-F417 HydrophobicContact CE2-CG 3.88Å; F383-F417 HydrophobicContact CZ-CB 3.7Å; F383-F417 HydrophobicContact CZ-CD2 4.21Å; F383-F417 HydrophobicContact CZ-CG 4.04Å; F383-I545 HydrophobicContact CB-CD1 3.81Å; F383-I545 HydrophobicContact CD2-CD1 4.14Å; F383-I545 HydrophobicContact CG-CD1 4.47Å; F383-C605 PolarHBondContact O-SG 2.69Å |
| 384 | T | 85.3 | Confident | 82.4 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -103 | -28.3 | -178.1 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | L380 Q381 F382 I541 V544 I545 Q601 L602 | L380-T384 PolarHBondContact O-N 2.73Å; L380-T384 PolarHBondContact O-OG1 3.22Å; Q381-T384 PolarHBondContact O-N 3.11Å; Q381-T384 PolarHBondContact O-OG1 3.06Å; F382-T384 PolarHBondContact O-N 3.3Å; F382-T384 VanDerWaalsContact O-N 3.11Å; T384-I541 HydrophobicContact CG2-CB 4.45Å; T384-I541 HydrophobicContact CG2-CG2 3.89Å; T384-V544 HydrophobicContact CG2-CG1 4.24Å; T384-I545 HydrophobicContact CG2-CD1 4.02Å; T384-I545 HydrophobicContact CG2-CG1 4.15Å; T384-Q601 WeakPolarHBondContact O-CB 3.45Å; T384-L602 HydrophobicContact CG2-CD2 3.85Å |
| 385 | S | 85.1 | Confident | 82 | Confident | 41 Ų | 41 | 34.6 Ų | 34.6 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -80.9 | -31.5 | 177.4 | 65.1 | 0 | 0 | 0 | 0 | 113.3 | Q381 F382 Q601 | Q381-S385 VanDerWaalsContact O-CB 3.32Å; Q381-S385 WeakPolarHBondContact O-CB 3.01Å; Q381-S385 PolarHBondContact O-N 2.66Å; Q381-S385 PolarHBondContact O-OG 2.83Å; F382-S385 PolarHBondContact O-N 3.27Å; F382-S385 PolarHBondContact O-OG 2.9Å; S385-Q601 PolarHBondContact O-NE2 2.85Å; S385-Q601 PolarHBondContact O-OE1 3.41Å |
| 386 | D | 87.6 | Confident | 81.7 | Confident | 59 Ų | 59 | 35.7 Ų | 35.7 | 32% | 0.316 | 22% | 0.221 | S | C | . | . | trans | -145 | 72.8 | 180 | -173.2 | 7.2 | 0 | 0 | 0 | 110.8 | F382 E388 G389 C390 I396 | F382-D386 PolarHBondContact O-N 3.43Å; D386-E388 VanDerWaalsContact C-N 3.28Å; D386-E388 PolarHBondContact O-N 3.34Å; D386-G389 PolarHBondContact O-N 3.12Å; D386-G389 PolarHBondContact OD1-N 3.33Å; D386-C390 PolarHBondContact O-N 3.09Å; D386-C390 PolarHBondContact O-SG 3.19Å; D386-I396 HydrophobicContact CB-CD1 3.63Å; D386-I396 WeakPolarHBondContact OD2-CD1 3.21Å | ||
| 387 | P | 89.9 | Confident | 81.5 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69 | -27 | -177 | 30.8 | -37.6 | 0 | 0 | 0 | 112.5 | L391 L414 M604 C605 L608 | P387-L391 WeakPolarHBondContact O-CB 3.16Å; P387-L391 PolarHBondContact O-N 2.98Å; P387-L391 VanDerWaalsContact O-N 3.16Å; P387-L414 HydrophobicContact CB-CD1 4.3Å; P387-L414 WeakPolarHBondContact O-CD1 3.28Å; P387-M604 HydrophobicContact CG-CB 3.95Å; P387-M604 HydrophobicContact CG-CG 4.03Å; P387-C605 HydrophobicContact CB-CB 3.77Å; P387-C605 HydrophobicContact CG-CB 4.25Å; P387-L608 HydrophobicContact CB-CD1 4.13Å |
| 388 | E | 90.8 | Very high | 81 | Confident | 19 Ų | 19 | 34 Ų | 34 | 9% | 0.089 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71 | -50.3 | 175.7 | -64.5 | -170.1 | -119.7 | 0 | 0 | 110.2 | D386 C390 L391 S392 M604 L608 V646 N647 E648 T651 | D386-E388 VanDerWaalsContact C-N 3.28Å; D386-E388 PolarHBondContact O-N 3.34Å; E388-C390 VanDerWaalsContact C-N 3.26Å; E388-C390 PolarHBondContact O-N 3.01Å; E388-L391 PolarHBondContact O-N 2.68Å; E388-L391 VanDerWaalsContact O-N 3.1Å; E388-S392 PolarHBondContact O-N 3.38Å; E388-M604 HydrophobicContact CG-CG 4.15Å; E388-L608 HydrophobicContact CG-CD1 4.21Å; E388-V646 WeakPolarHBondContact OE2-CB 3.43Å; E388-N647 PolarHBondContact OE1-N 3.46Å; E388-N647 PolarHBondContact OE1-ND2 3.3Å; E388-N647 PolarHBondContact OE2-N 3.38Å; E388-E648 HydrophobicContact CB-CB 4.04Å; E388-E648 HydrophobicContact CB-CG 3.58Å; E388-E648 HydrophobicContact CG-CG 4.5Å; E388-E648 PolarHBondContact OE2-N 2.81Å; E388-T651 HydrophobicContact CG-CG2 4.31Å |
| 389 | G | 87.2 | Confident | 80 | Confident | 9 Ų | 9 | 37 Ų | 37 | 9% | 0.093 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.5 | -34.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D386 S392 I396 | D386-G389 PolarHBondContact O-N 3.12Å; D386-G389 PolarHBondContact OD1-N 3.33Å; G389-S392 WeakPolarHBondContact O-CB 3.43Å; G389-S392 PolarHBondContact O-OG 3.3Å; G389-I396 VanDerWaalsContact C-CG1 3.46Å |
| 390 | C | 87.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -74.8 | -26 | 176.1 | -63.5 | 0 | 0 | 0 | 0 | 114.1 | F382 F383 D386 E388 I396 L414 | F382-C390 VanDerWaalsContact C-SG 3.57Å; F382-C390 PolarHBondContact O-SG 3.34Å; F382-C390 VanDerWaalsContact O-SG 3.39Å; F383-C390 HydrophobicContact CD1-CB 4.05Å; D386-C390 PolarHBondContact O-N 3.09Å; D386-C390 PolarHBondContact O-SG 3.19Å; E388-C390 VanDerWaalsContact C-N 3.26Å; E388-C390 PolarHBondContact O-N 3.01Å; C390-I396 VanDerWaalsContact SG-CD1 3.57Å; C390-L414 HydrophobicContact CB-CB 4.26Å; C390-L414 HydrophobicContact CB-CD1 3.57Å; C390-L414 HydrophobicContact CB-CG 3.53Å; C390-L414 PolarHBondContact O-N 2.97Å |
| 391 | L | 86.5 | Confident | 76.6 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -80.6 | -23.7 | 175 | 178.7 | 56.8 | 0 | 0 | 0 | 112.3 | P387 E388 L414 N415 W418 L608 Y612 T651 M655 | P387-L391 WeakPolarHBondContact O-CB 3.16Å; P387-L391 PolarHBondContact O-N 2.98Å; P387-L391 VanDerWaalsContact O-N 3.16Å; E388-L391 PolarHBondContact O-N 2.68Å; E388-L391 VanDerWaalsContact O-N 3.1Å; L391-L414 HydrophobicContact CB-CD1 4.35Å; L391-N415 VanDerWaalsContact CD1-OD1 3.31Å; L391-N415 WeakPolarHBondContact CD1-OD1 3.3Å; L391-N415 PolarHBondContact O-ND2 3.2Å; L391-N415 VanDerWaalsContact O-ND2 3.16Å; L391-W418 HydrophobicContact CD1-CE3 4.18Å; L391-W418 HydrophobicContact CD1-CH2 4.4Å; L391-W418 HydrophobicContact CD1-CZ3 3.51Å; L391-W418 HydrophobicContact CD2-CZ3 4.23Å; L391-W418 HydrophobicContact CG-CZ3 4.31Å; L391-L608 HydrophobicContact CD2-CB 4.26Å; L391-L608 HydrophobicContact CD2-CD1 4.09Å; L391-L608 HydrophobicContact CD2-CD2 3.95Å; L391-L608 HydrophobicContact CD2-CG 4.34Å; L391-Y612 HydrophobicContact CD1-CD2 4.38Å; L391-T651 HydrophobicContact CD2-CG2 4.38Å; L391-M655 HydrophobicContact CD2-CE 4.28Å |
| 392 | S | 79.4 | Confident | 74.5 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -50.2 | 153.9 | 176.7 | 79.9 | 0 | 0 | 0 | 0 | 111.7 | E388 G389 G394 G395 | E388-S392 PolarHBondContact O-N 3.38Å; G389-S392 WeakPolarHBondContact O-CB 3.43Å; G389-S392 PolarHBondContact O-OG 3.3Å; S392-G394 PolarHBondContact O-N 3.27Å; S392-G395 PolarHBondContact O-N 3.17Å; S392-G395 VanDerWaalsContact O-N 3.07Å |
| 393 | S | 65.7 | Low | 72.4 | Confident | 118 Ų | 118 | 53.3 Ų | 53.3 | 83% | 0.825 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -8.5 | -168.7 | 61.2 | 0 | 0 | 0 | 0 | 117.1 | ||
| 394 | G | 68.5 | Low | 70.1 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.9 | 20.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | S392 Y411 | S392-G394 PolarHBondContact O-N 3.27Å; G394-Y411 WeakPolarHBondContact O-CE2 3.34Å; G394-Y411 VanDerWaalsContact O-CZ 3.23Å; G394-Y411 PolarHBondContact O-OH 3.48Å |
| 395 | G | 78.4 | Confident | 68 | Low | 17 Ų | 17 | 64.7 Ų | 64.7 | 18% | 0.175 | 40% | 0.402 | C | S | . | . | trans | 58.4 | -169.6 | 176 | 0 | 0 | 0 | 0 | 0 | 116 | S392 A412 | S392-G395 PolarHBondContact O-N 3.17Å; S392-G395 VanDerWaalsContact O-N 3.07Å; G395-A412 CarbonylContact C-O 3.6Å; G395-A412 WeakPolarHBondContact CA-O 3.2Å | ||
| 396 | I | 76.9 | Confident | 66 | Low | 34 Ų | 34 | 72.6 Ų | 72.6 | 17% | 0.174 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 137.5 | -179.9 | -56.7 | 178 | 0 | 0 | 0 | 109.8 | F382 D386 G389 C390 Y411 A412 | F382-I396 HydrophobicContact CD1-CG2 4.27Å; F382-I396 HydrophobicContact CE1-CG2 4.37Å; D386-I396 HydrophobicContact CB-CD1 3.63Å; D386-I396 WeakPolarHBondContact OD2-CD1 3.21Å; G389-I396 VanDerWaalsContact C-CG1 3.46Å; C390-I396 VanDerWaalsContact SG-CD1 3.57Å; I396-Y411 CarbonylContact O-C 3.5Å; I396-Y411 VanDerWaalsContact O-CA 3.27Å; I396-Y411 WeakPolarHBondContact O-CA 3.31Å; I396-A412 PolarHBondContact N-O 3.07Å; I396-A412 PolarHBondContact O-N 3.41Å |
| 397 | S | 74.6 | Confident | 64 | Low | 78 Ų | 78 | 72.5 Ų | 72.5 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.2 | 170.9 | 75.8 | 0 | 0 | 0 | 0 | 112.2 | V410 | S397-V410 CarbonylContact C-O 3.53Å; S397-V410 WeakPolarHBondContact CA-O 3.36Å |
| 398 | S | 65 | Low | 62 | Low | 32 Ų | 32 | 78.5 Ų | 78.5 | 22% | 0.224 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.2 | 165.7 | 75.8 | 0 | 0 | 0 | 0 | 111 | F382 S409 V410 | F382-S398 WeakPolarHBondContact CZ-OG 3.44Å; S398-S409 WeakPolarHBondContact O-CA 3.37Å; S398-V410 PolarHBondContact N-O 2.9Å; S398-V410 PolarHBondContact O-N 2.87Å; S398-V410 VanDerWaalsContact O-N 3.09Å |
| 399 | I | 56.2 | Low | 60.4 | Low | 130 Ų | 130 | 80.2 Ų | 80.2 | 67% | 0.667 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 106.3 | 169.3 | -56.1 | 173.5 | 0 | 0 | 0 | 106.3 | V401 | I399-V401 PolarHBondContact O-N 2.55Å |
| 400 | N | 50.2 | Low | 59.4 | Low | 112 Ų | 112 | 80.3 Ų | 80.3 | 60% | 0.599 | 48% | 0.483 | S | S | * | . | trans | -63.2 | 112.5 | 165.8 | -89.9 | -10.2 | 0 | 0 | 0 | 108.1 | G402 | N400-G402 PolarHBondContact O-N 2.75Š| ||
| 401 | V | 41.7 | Very low | 58.7 | Low | 147 Ų | 147 | 82.1 Ų | 82.1 | 89% | 0.891 | 49% | 0.49 | S | S | * | . | trans | -75.6 | 65 | 176.1 | -168.7 | 0 | 0 | 0 | 0 | 109 | I399 | I399-V401 PolarHBondContact O-N 2.55Š| ||
| 402 | G | 38 | Very low | 58.3 | Low | 42 Ų | 42 | 81.9 Ų | 81.9 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | trans | -91.5 | 151.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | N400 D404 A405 | N400-G402 PolarHBondContact O-N 2.75Å; G402-D404 CarbonylContact O-C 3.57Å; G402-D404 PolarHBondContact O-N 3.48Å; G402-A405 PolarHBondContact O-N 3.49Å | ||
| 403 | H | 38.5 | Very low | 58.5 | Low | 207 Ų | 207 | 81.6 Ų | 81.6 | 96% | 0.958 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -57.7 | -14.6 | -179.1 | -84 | -66.9 | 0 | 0 | 0 | 114.7 | A405 | H403-A405 VanDerWaalsContact C-N 3.27Å; H403-A405 PolarHBondContact O-N 3.48Å; H403-A405 VanDerWaalsContact O-N 3.12Å |
| 404 | D | 38.8 | Very low | 59.4 | Low | 156 Ų | 156 | 76 Ų | 76 | 83% | 0.834 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -83.7 | 70.8 | 164.5 | -72.8 | -33.8 | 0 | 0 | 0 | 110.9 | G402 K406 | G402-D404 CarbonylContact O-C 3.57Å; G402-D404 PolarHBondContact O-N 3.48Å; D404-K406 PolarHBondContact O-N 3.31Å |
| 405 | A | 41.8 | Very low | 60 | Low | 86 Ų | 86 | 76.1 Ų | 76.1 | 71% | 0.711 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 16.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | G402 H403 | G402-A405 PolarHBondContact O-N 3.49Å; H403-A405 VanDerWaalsContact C-N 3.27Å; H403-A405 PolarHBondContact O-N 3.48Å; H403-A405 VanDerWaalsContact O-N 3.12Å |
| 406 | K | 43.5 | Very low | 60 | Low | 207 Ų | 207 | 75.7 Ų | 75.7 | 90% | 0.9 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.3 | 25.9 | -174.8 | -79.5 | -159.5 | 175.7 | -178.8 | 0 | 119.6 | D404 | D404-K406 PolarHBondContact O-N 3.31Š|
| 407 | A | 43.7 | Very low | 60.5 | Low | 57 Ų | 57 | 74.3 Ų | 74.3 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -138.1 | -10 | -179.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||
| 408 | N | 49 | Very low | 61.2 | Low | 130 Ų | 130 | 70.6 Ų | 70.6 | 70% | 0.695 | 40% | 0.399 | S | S | * | . | trans | -128.5 | 58.6 | 177.5 | -70.6 | -7.4 | 0 | 0 | 0 | 112.2 | V410 | N408-V410 PolarHBondContact O-N 3.25Š| ||
| 409 | S | 58.1 | Low | 62.4 | Low | 55 Ų | 55 | 70.4 Ų | 70.4 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 115 | 160.6 | 54.8 | 0 | 0 | 0 | 0 | 107.7 | S398 | S398-S409 WeakPolarHBondContact O-CA 3.37Å |
| 410 | V | 65 | Low | 64 | Low | 11 Ų | 11 | 64.3 Ų | 64.3 | 7% | 0.067 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 130.9 | 173.2 | -176 | 0 | 0 | 0 | 0 | 107.4 | N378 E379 F382 S397 S398 N408 | N378-V410 HydrophobicContact CB-CB 4.46Å; N378-V410 HydrophobicContact CB-CG1 3.76Å; N378-V410 HydrophobicContact CB-CG2 4.28Å; E379-V410 HydrophobicContact CG-CG1 4.07Å; F382-V410 HydrophobicContact CD2-CG1 4.19Å; F382-V410 HydrophobicContact CE2-CB 4.11Å; F382-V410 HydrophobicContact CE2-CG1 3.77Å; S397-V410 CarbonylContact C-O 3.53Å; S397-V410 WeakPolarHBondContact CA-O 3.36Å; S398-V410 PolarHBondContact N-O 2.9Å; S398-V410 PolarHBondContact O-N 2.87Å; S398-V410 VanDerWaalsContact O-N 3.09Å; N408-V410 PolarHBondContact O-N 3.25Å |
| 411 | Y | 73.8 | Confident | 65.9 | Low | 37 Ų | 37 | 59.2 Ų | 59.2 | 15% | 0.145 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 133.4 | -177.6 | 174.9 | -89 | 0 | 0 | 0 | 109.9 | G394 I396 D413 T447 P448 | G394-Y411 WeakPolarHBondContact O-CE2 3.34Å; G394-Y411 VanDerWaalsContact O-CZ 3.23Å; G394-Y411 PolarHBondContact O-OH 3.48Å; I396-Y411 CarbonylContact O-C 3.5Å; I396-Y411 VanDerWaalsContact O-CA 3.27Å; I396-Y411 WeakPolarHBondContact O-CA 3.31Å; Y411-D413 HydrophobicContact CD1-CB 4.39Å; Y411-D413 HydrophobicContact CE1-CB 3.48Å; Y411-D413 VanDerWaalsContact CE1-CB 3.48Å; Y411-T447 HydrophobicContact CD1-CG2 4.48Å; Y411-T447 HydrophobicContact CE1-CG2 4Å; Y411-P448 VanDerWaalsContact CB-CG 3.45Å; Y411-P448 HydrophobicContact CD1-CG 4.33Å; Y411-P448 HydrophobicContact CD2-CG 4.06Å; Y411-P448 HydrophobicContact CG-CB 4.49Å; Y411-P448 HydrophobicContact CG-CG 3.72Å |
| 412 | A | 78.5 | Confident | 68.1 | Low | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 125.3 | -180 | 0 | 0 | 0 | 0 | 0 | 109.8 | F382 F383 G395 I396 | F382-A412 HydrophobicContact CB-CB 3.55Å; F382-A412 HydrophobicContact CD2-CB 4.04Å; F382-A412 HydrophobicContact CG-CB 4.1Å; F383-A412 HydrophobicContact CD1-CB 4.09Å; F383-A412 HydrophobicContact CE1-CB 3.7Å; F383-A412 HydrophobicContact CZ-CB 4.27Å; G395-A412 CarbonylContact C-O 3.6Å; G395-A412 WeakPolarHBondContact CA-O 3.2Å; I396-A412 PolarHBondContact N-O 3.07Å; I396-A412 PolarHBondContact O-N 3.41Å |
| 413 | D | 82.5 | Confident | 70.4 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 10% | 0.102 | 30% | 0.297 | C | S | . | . | trans | -133.4 | 114.7 | 178 | 165.5 | 20.2 | 0 | 0 | 0 | 109.2 | Y411 N415 S416 F417 | Y411-D413 HydrophobicContact CD1-CB 4.39Å; Y411-D413 HydrophobicContact CE1-CB 3.48Å; Y411-D413 VanDerWaalsContact CE1-CB 3.48Å; D413-N415 VanDerWaalsContact C-N 3.28Å; D413-N415 PolarHBondContact O-N 2.65Å; D413-N415 VanDerWaalsContact OD1-CB 3.31Å; D413-N415 WeakPolarHBondContact OD1-CB 3.35Å; D413-N415 PolarHBondContact OD1-N 3.29Å; D413-S416 PolarHBondContact O-N 3.49Å; D413-S416 PolarHBondContact O-OG 3.05Å; D413-S416 PolarHBondContact OD1-N 3.23Å; D413-S416 WeakPolarHBondContact OD2-CB 3.34Å; D413-S416 PolarHBondContact OD2-N 2.92Å; D413-F417 PolarHBondContact O-N 3.45Å | ||
| 414 | L | 84.1 | Confident | 72.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.5 | -27.8 | -178.9 | -80.3 | 170.4 | 0 | 0 | 0 | 112.4 | F383 P387 C390 L391 F417 W418 | F383-L414 HydrophobicContact CB-CD2 3.99Å; F383-L414 HydrophobicContact CD1-CD2 3.32Å; F383-L414 HydrophobicContact CD1-CG 3.62Å; F383-L414 HydrophobicContact CD2-CD2 4.43Å; F383-L414 HydrophobicContact CE1-CD2 3.81Å; F383-L414 HydrophobicContact CE1-CG 4Å; F383-L414 HydrophobicContact CG-CD2 3.68Å; F383-L414 HydrophobicContact CG-CG 4.42Å; P387-L414 HydrophobicContact CB-CD1 4.3Å; P387-L414 WeakPolarHBondContact O-CD1 3.28Å; C390-L414 HydrophobicContact CB-CB 4.26Å; C390-L414 HydrophobicContact CB-CD1 3.57Å; C390-L414 HydrophobicContact CB-CG 3.53Å; C390-L414 PolarHBondContact O-N 2.97Å; L391-L414 HydrophobicContact CB-CD1 4.35Å; L414-F417 HydrophobicContact CD2-CD1 3.93Å; L414-F417 PolarHBondContact O-N 2.92Å; L414-W418 HydrophobicContact CB-CD2 4.17Å; L414-W418 HydrophobicContact CB-CE3 4.05Å; L414-W418 HydrophobicContact CB-CH2 3.97Å; L414-W418 HydrophobicContact CB-CZ2 4.07Å; L414-W418 HydrophobicContact CB-CZ3 3.99Å; L414-W418 HydrophobicContact CD1-CH2 3.67Å; L414-W418 HydrophobicContact CD1-CZ2 3.72Å; L414-W418 HydrophobicContact CD1-CZ3 4.46Å; L414-W418 HydrophobicContact CD2-CD2 4.5Å; L414-W418 HydrophobicContact CD2-CH2 4.37Å; L414-W418 HydrophobicContact CD2-CZ2 3.68Å; L414-W418 HydrophobicContact CG-CH2 4.2Å; L414-W418 HydrophobicContact CG-CZ2 4.02Å; L414-W418 WeakPolarHBondContact O-CB 3.14Å; L414-W418 PolarHBondContact O-N 2.88Å |
| 415 | N | 81.4 | Confident | 75 | Confident | 41 Ų | 41 | 39.4 Ų | 39.4 | 22% | 0.219 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.7 | -47.1 | 175.2 | -67.3 | -49.1 | 0 | 0 | 0 | 110.3 | L391 D413 F417 W418 N419 Y612 | L391-N415 VanDerWaalsContact CD1-OD1 3.31Å; L391-N415 WeakPolarHBondContact CD1-OD1 3.3Å; L391-N415 PolarHBondContact O-ND2 3.2Å; L391-N415 VanDerWaalsContact O-ND2 3.16Å; D413-N415 VanDerWaalsContact C-N 3.28Å; D413-N415 PolarHBondContact O-N 2.65Å; D413-N415 VanDerWaalsContact OD1-CB 3.31Å; D413-N415 WeakPolarHBondContact OD1-CB 3.35Å; D413-N415 PolarHBondContact OD1-N 3.29Å; N415-F417 PolarHBondContact O-N 3.41Å; N415-W418 PolarHBondContact O-N 3.33Å; N415-N419 WeakPolarHBondContact O-CA 3.48Å; N415-N419 WeakPolarHBondContact O-CB 3.32Å; N415-N419 PolarHBondContact O-N 3.4Å; N415-Y612 VanDerWaalsContact OD1-CE2 3.28Å; N415-Y612 WeakPolarHBondContact OD1-CE2 3.32Å |
| 416 | S | 80 | Confident | 77 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -34.7 | 173.2 | 75.4 | 0 | 0 | 0 | 0 | 112.7 | D413 V420 | D413-S416 PolarHBondContact O-N 3.49Å; D413-S416 PolarHBondContact O-OG 3.05Å; D413-S416 PolarHBondContact OD1-N 3.23Å; D413-S416 WeakPolarHBondContact OD2-CB 3.34Å; D413-S416 PolarHBondContact OD2-N 2.92Å; S416-V420 PolarHBondContact O-N 3.37Å |
| 417 | F | 86.7 | Confident | 78.9 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.022 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.8 | -52.2 | 177.5 | 172.1 | -99.8 | 0 | 0 | 0 | 111.5 | L375 F383 D413 L414 N415 E491 I545 R549 | L375-F417 HydrophobicContact CD1-CD2 3.86Å; L375-F417 HydrophobicContact CD1-CE2 3.61Å; F383-F417 HydrophobicContact CD2-CD2 4.35Å; F383-F417 HydrophobicContact CD2-CG 4.46Å; F383-F417 HydrophobicContact CE1-CB 4.3Å; F383-F417 HydrophobicContact CE2-CB 4.07Å; F383-F417 AromaticContact CE2-CD2 3.69Å; F383-F417 HydrophobicContact CE2-CD2 3.69Å; F383-F417 HydrophobicContact CE2-CE2 4.31Å; F383-F417 AromaticContact CE2-CG 3.88Å; F383-F417 HydrophobicContact CE2-CG 3.88Å; F383-F417 HydrophobicContact CZ-CB 3.7Å; F383-F417 HydrophobicContact CZ-CD2 4.21Å; F383-F417 HydrophobicContact CZ-CG 4.04Å; D413-F417 PolarHBondContact O-N 3.45Å; L414-F417 HydrophobicContact CD2-CD1 3.93Å; L414-F417 PolarHBondContact O-N 2.92Å; N415-F417 PolarHBondContact O-N 3.41Å; F417-E491 HydrophobicContact CE2-CG 4.2Å; F417-E491 VanDerWaalsContact CE2-OE1 3.22Å; F417-E491 WeakPolarHBondContact CE2-OE1 3.5Å; F417-E491 HydrophobicContact CZ-CG 4.44Å; F417-I545 HydrophobicContact CZ-CG2 4.13Å; F417-R549 HydrophobicContact CZ-CB 4.35Å; F417-R549 PolarHBondContact O-NH1 3.06Å; F417-R549 PolarHBondContact O-NH2 3.41Å |
| 418 | W | 89.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -74.7 | -26.1 | -177.2 | -62.9 | -36.2 | 0 | 0 | 0 | 113.4 | L391 L414 N415 Q498 R556 L608 A609 Y612 | L391-W418 HydrophobicContact CD1-CE3 4.18Å; L391-W418 HydrophobicContact CD1-CH2 4.4Å; L391-W418 HydrophobicContact CD1-CZ3 3.51Å; L391-W418 HydrophobicContact CD2-CZ3 4.23Å; L391-W418 HydrophobicContact CG-CZ3 4.31Å; L414-W418 HydrophobicContact CB-CD2 4.17Å; L414-W418 HydrophobicContact CB-CE3 4.05Å; L414-W418 HydrophobicContact CB-CH2 3.97Å; L414-W418 HydrophobicContact CB-CZ2 4.07Å; L414-W418 HydrophobicContact CB-CZ3 3.99Å; L414-W418 HydrophobicContact CD1-CH2 3.67Å; L414-W418 HydrophobicContact CD1-CZ2 3.72Å; L414-W418 HydrophobicContact CD1-CZ3 4.46Å; L414-W418 HydrophobicContact CD2-CD2 4.5Å; L414-W418 HydrophobicContact CD2-CH2 4.37Å; L414-W418 HydrophobicContact CD2-CZ2 3.68Å; L414-W418 HydrophobicContact CG-CH2 4.2Å; L414-W418 HydrophobicContact CG-CZ2 4.02Å; L414-W418 WeakPolarHBondContact O-CB 3.14Å; L414-W418 PolarHBondContact O-N 2.88Å; N415-W418 PolarHBondContact O-N 3.33Å; W418-Q498 PolarHBondContact O-NE2 3.18Å; W418-R556 PolarHBondContact O-NH1 3.45Å; W418-R556 PolarHBondContact O-NH2 2.87Å; W418-L608 HydrophobicContact CH2-CB 3.73Å; W418-L608 HydrophobicContact CZ3-CB 4.48Å; W418-A609 HydrophobicContact CZ2-CB 3.81Å; W418-Y612 HydrophobicContact CB-CD1 3.66Å; W418-Y612 HydrophobicContact CB-CE1 3.68Å; W418-Y612 HydrophobicContact CB-CG 4.36Å; W418-Y612 HydrophobicContact CD2-CD1 4.31Å; W418-Y612 HydrophobicContact CD2-CG 4.19Å; W418-Y612 AromaticContact CE3-CD1 3.9Å; W418-Y612 HydrophobicContact CE3-CD1 3.9Å; W418-Y612 AromaticContact CE3-CD2 3.6Å; W418-Y612 HydrophobicContact CE3-CD2 3.6Å; W418-Y612 HydrophobicContact CE3-CE2 4.31Å; W418-Y612 AromaticContact CE3-CG 3.38Å; W418-Y612 HydrophobicContact CE3-CG 3.38Å; W418-Y612 HydrophobicContact CG-CD1 4.26Å; W418-Y612 HydrophobicContact CZ3-CD2 4.05Å; W418-Y612 AromaticContact CZ3-CG 3.98Å; W418-Y612 HydrophobicContact CZ3-CG 3.98Å |
| 419 | N | 89.3 | Confident | 82.3 | Confident | 29 Ų | 29 | 28.5 Ų | 28.5 | 16% | 0.155 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 32.5 | -171.1 | -153.1 | 26.7 | 0 | 0 | 0 | 115 | N415 D421 N422 Q423 R556 Y612 | N415-N419 WeakPolarHBondContact O-CA 3.48Å; N415-N419 WeakPolarHBondContact O-CB 3.32Å; N415-N419 PolarHBondContact O-N 3.4Å; N419-D421 PolarHBondContact O-N 3.43Å; N419-D421 VanDerWaalsContact O-N 3.11Å; N419-N422 WeakPolarHBondContact ND2-CB 3.47Å; N419-N422 PolarHBondContact O-N 2.99Å; N419-N422 WeakPolarHBondContact OD1-CB 3.03Å; N419-N422 PolarHBondContact OD1-ND2 3.22Å; N419-Q423 PolarHBondContact O-N 2.92Å; N419-R556 PolarHBondContact OD1-NH2 2.88Å; N419-Y612 HydrophobicContact CB-CE1 4.22Å; N419-Y612 WeakPolarHBondContact CB-OH 3.26Å; N419-Y612 VanDerWaalsContact CG-OH 3.24Å; N419-Y612 PolarHBondContact ND2-OH 2.93Å |
| 420 | V | 89.6 | Confident | 83.3 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53.4 | -34.5 | -174.4 | 72.6 | 0 | 0 | 0 | 0 | 113.5 | S416 A424 E456 R495 Q498 L499 | S416-V420 PolarHBondContact O-N 3.37Å; V420-A424 VanDerWaalsContact O-CB 3.3Å; V420-A424 WeakPolarHBondContact O-CB 3.3Å; V420-A424 PolarHBondContact O-N 2.98Å; V420-E456 HydrophobicContact CG2-CG 4.17Å; V420-R495 HydrophobicContact CB-CG 4.36Å; V420-R495 HydrophobicContact CG1-CG 3.89Å; V420-R495 HydrophobicContact CG2-CG 4.31Å; V420-Q498 HydrophobicContact CG1-CB 4.43Å; V420-Q498 HydrophobicContact CG1-CG 4.22Å; V420-L499 HydrophobicContact CB-CD2 4.3Å; V420-L499 HydrophobicContact CG1-CD2 3.85Å; V420-L499 HydrophobicContact CG1-CG 3.85Å; V420-L499 HydrophobicContact CG2-CD1 4.28Å; V420-L499 HydrophobicContact CG2-CD2 3.87Å; V420-L499 HydrophobicContact CG2-CG 4.17Å |
| 421 | D | 90.2 | Very high | 83.9 | Confident | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.032 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.5 | -46.6 | -178.7 | 51.6 | -49.7 | 0 | 0 | 0 | 112.7 | N419 S425 Q498 P502 R556 | N419-D421 PolarHBondContact O-N 3.43Å; N419-D421 VanDerWaalsContact O-N 3.11Å; D421-S425 VanDerWaalsContact O-CB 3.31Å; D421-S425 WeakPolarHBondContact O-CB 3.49Å; D421-S425 PolarHBondContact O-N 3.48Å; D421-Q498 PolarHBondContact OD1-NE2 3.43Å; D421-P502 HydrophobicContact CB-CG 4.37Å; D421-R556 VanDerWaalsContact CG-NE 3.3Å; D421-R556 IonicContact OD1-CZ 2.64Å; D421-R556 IonicContact OD1-NE 3.88Å; D421-R556 PolarHBondContact OD1-NE 2.92Å; D421-R556 IonicContact OD1-NH2 3.51Å; D421-R556 PolarHBondContact OD1-NH2 3.39Å; D421-R556 IonicContact OD2-NE 2.7Å; D421-R556 PolarHBondContact OD2-NE 3.08Å |
| 422 | N | 88 | Confident | 84.4 | Confident | 56 Ų | 56 | 27.3 Ų | 27.3 | 30% | 0.299 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69.7 | -42.6 | 175.6 | -75.4 | -28 | 0 | 0 | 0 | 111.2 | N419 A424 S425 E426 W616 | N419-N422 WeakPolarHBondContact ND2-CB 3.47Å; N419-N422 PolarHBondContact O-N 2.99Å; N419-N422 WeakPolarHBondContact OD1-CB 3.03Å; N419-N422 PolarHBondContact OD1-ND2 3.22Å; N422-A424 PolarHBondContact O-N 3.49Å; N422-S425 WeakPolarHBondContact O-CB 3.29Å; N422-S425 PolarHBondContact O-N 3Å; N422-S425 VanDerWaalsContact O-N 3.13Å; N422-E426 WeakPolarHBondContact O-CG 3.42Å; N422-E426 PolarHBondContact O-N 3.07Å; N422-W616 PolarHBondContact ND2-NE1 2.85Å |
| 423 | Q | 87.1 | Confident | 84.5 | Confident | 36 Ų | 36 | 29.3 Ų | 29.3 | 17% | 0.168 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.7 | -48.6 | 176.5 | -179.9 | 176.9 | 59 | 0 | 0 | 111.5 | N419 S425 E426 L427 | N419-Q423 PolarHBondContact O-N 2.92Å; Q423-S425 VanDerWaalsContact C-N 3.3Å; Q423-S425 PolarHBondContact O-N 3.3Å; Q423-E426 PolarHBondContact O-N 3.39Å; Q423-L427 HydrophobicContact CG-CD1 3.88Å; Q423-L427 HydrophobicContact CG-CG 4.39Å; Q423-L427 WeakPolarHBondContact O-CB 3.27Å; Q423-L427 VanDerWaalsContact O-CG 3.24Å; Q423-L427 WeakPolarHBondContact O-CG 3.25Å; Q423-L427 PolarHBondContact O-N 2.89Å |
| 424 | A | 87.7 | Confident | 84.2 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.033 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V420 N422 C428 L457 T460 L499 | V420-A424 VanDerWaalsContact O-CB 3.3Å; V420-A424 WeakPolarHBondContact O-CB 3.3Å; V420-A424 PolarHBondContact O-N 2.98Å; N422-A424 PolarHBondContact O-N 3.49Å; A424-C428 PolarHBondContact O-N 2.83Å; A424-C428 VanDerWaalsContact O-N 3.11Å; A424-C428 PolarHBondContact O-SG 2.77Å; A424-L457 HydrophobicContact CB-CD2 4.29Å; A424-L457 WeakPolarHBondContact O-CD2 3.18Å; A424-T460 HydrophobicContact CB-CG2 4.16Å; A424-T460 WeakPolarHBondContact CB-OG1 3.38Å; A424-L499 HydrophobicContact CB-CD2 4.02Å |
| 425 | S | 85.5 | Confident | 84 | Confident | 40 Ų | 40 | 30.4 Ų | 30.4 | 28% | 0.28 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 176.8 | -176.1 | 0 | 0 | 0 | 0 | 112.8 | D421 N422 Q423 R464 | D421-S425 VanDerWaalsContact O-CB 3.31Å; D421-S425 WeakPolarHBondContact O-CB 3.49Å; D421-S425 PolarHBondContact O-N 3.48Å; N422-S425 WeakPolarHBondContact O-CB 3.29Å; N422-S425 PolarHBondContact O-N 3Å; N422-S425 VanDerWaalsContact O-N 3.13Å; Q423-S425 VanDerWaalsContact C-N 3.3Å; Q423-S425 PolarHBondContact O-N 3.3Å; S425-R464 PolarHBondContact OG-NH2 3.41Å |
| 426 | E | 84 | Confident | 84 | Confident | 135 Ų | 135 | 29 Ų | 29 | 63% | 0.631 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -66 | -47.9 | 179.1 | -72.3 | 171.6 | -173 | 0 | 0 | 111.7 | N422 Q423 C428 V429 | N422-E426 WeakPolarHBondContact O-CG 3.42Å; N422-E426 PolarHBondContact O-N 3.07Å; Q423-E426 PolarHBondContact O-N 3.39Å; E426-C428 VanDerWaalsContact C-N 3.26Å; E426-C428 PolarHBondContact O-N 2.93Å; E426-V429 PolarHBondContact O-N 3.28Å; E426-V429 VanDerWaalsContact O-N 3.16Å |
| 427 | L | 83.9 | Confident | 83.7 | Confident | 15 Ų | 15 | 29.6 Ų | 29.6 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.6 | -28.6 | -179.5 | -72.9 | 178.5 | 0 | 0 | 0 | 113.4 | Q423 V429 C430 V445 L457 | Q423-L427 HydrophobicContact CG-CD1 3.88Å; Q423-L427 HydrophobicContact CG-CG 4.39Å; Q423-L427 WeakPolarHBondContact O-CB 3.27Å; Q423-L427 VanDerWaalsContact O-CG 3.24Å; Q423-L427 WeakPolarHBondContact O-CG 3.25Å; Q423-L427 PolarHBondContact O-N 2.89Å; L427-V429 PolarHBondContact O-N 3.14Å; L427-V429 VanDerWaalsContact O-N 3.14Å; L427-C430 WeakPolarHBondContact O-CB 3.44Å; L427-C430 PolarHBondContact O-N 3.1Å; L427-C430 VanDerWaalsContact O-N 3.11Å; L427-V445 HydrophobicContact CD2-CB 4.49Å; L427-V445 HydrophobicContact CD2-CG1 3.25Å; L427-L457 HydrophobicContact CB-CD1 4.21Å; L427-L457 HydrophobicContact CB-CD2 3.61Å; L427-L457 HydrophobicContact CB-CG 4.45Å; L427-L457 HydrophobicContact CD1-CD1 4.31Å; L427-L457 HydrophobicContact CD1-CD2 4.43Å |
| 428 | C | 83.7 | Confident | 83 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.7 | 176.8 | -75.5 | 0 | 0 | 0 | 0 | 113.3 | Y328 G329 A424 E426 I461 | Y328-C428 HydrophobicContact CD1-CB 3.99Å; Y328-C428 HydrophobicContact CE1-CB 4.33Å; G329-C428 PolarHBondContact N-O 3.27Å; A424-C428 PolarHBondContact O-N 2.83Å; A424-C428 VanDerWaalsContact O-N 3.11Å; A424-C428 PolarHBondContact O-SG 2.77Å; E426-C428 VanDerWaalsContact C-N 3.26Å; E426-C428 PolarHBondContact O-N 2.93Å; C428-I461 HydrophobicContact CB-CD1 4.16Å |
| 429 | V | 80.6 | Confident | 81.6 | Confident | 101 Ų | 101 | 33.1 Ų | 33.1 | 61% | 0.612 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -23.3 | -179.8 | -173.4 | 0 | 0 | 0 | 0 | 111.7 | E426 L427 | E426-V429 PolarHBondContact O-N 3.28Å; E426-V429 VanDerWaalsContact O-N 3.16Å; L427-V429 PolarHBondContact O-N 3.14Å; L427-V429 VanDerWaalsContact O-N 3.14Å |
| 430 | C | 78.2 | Confident | 79.5 | Confident | 40 Ų | 40 | 40.1 Ų | 40.1 | 27% | 0.27 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -72.5 | 147.8 | -178.7 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | G329 L427 I435 | G329-C430 VanDerWaalsContact CA-O 3.32Å; G329-C430 WeakPolarHBondContact CA-O 3.43Å; L427-C430 WeakPolarHBondContact O-CB 3.44Å; L427-C430 PolarHBondContact O-N 3.1Å; L427-C430 VanDerWaalsContact O-N 3.11Å; C430-I435 HydrophobicContact CB-CD1 4.09Å; C430-I435 HydrophobicContact CB-CG1 3.77Å |
| 431 | N | 78.9 | Confident | 77.5 | Confident | 37 Ų | 37 | 42.7 Ų | 42.7 | 20% | 0.198 | 25% | 0.246 | C | C | . | . | trans | -66.1 | 140.4 | 171.9 | -179.9 | -3.7 | 0 | 0 | 0 | 110.7 | G329 E433 T434 I435 | G329-N431 WeakPolarHBondContact O-CA 3.39Å; G329-N431 PolarHBondContact O-OD1 3.07Å; N431-E433 PolarHBondContact ND2-OE2 3.23Å; N431-E433 PolarHBondContact O-N 3.06Å; N431-E433 PolarHBondContact OD1-N 3.2Å; N431-T434 WeakPolarHBondContact O-CA 3.09Å; N431-T434 VanDerWaalsContact O-CB 3.3Å; N431-T434 WeakPolarHBondContact O-CB 3.48Å; N431-T434 PolarHBondContact O-N 3.33Å; N431-I435 WeakPolarHBondContact O-CG1 3.26Å; N431-I435 PolarHBondContact O-N 2.68Å | ||
| 432 | I | 83.4 | Confident | 75.1 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.5 | -33.4 | 174.4 | -168.6 | 58 | 0 | 0 | 0 | 112.6 | F268 L272 Y318 S319 G329 T434 I435 M436 L454 | F268-I432 HydrophobicContact CE2-CG1 4.04Å; F268-I432 HydrophobicContact CZ-CG1 3.99Å; F268-I432 HydrophobicContact CZ-CG2 4.33Å; L272-I432 HydrophobicContact CD2-CG2 4.26Å; Y318-I432 HydrophobicContact CD1-CD1 3.68Å; Y318-I432 HydrophobicContact CD1-CG1 4.34Å; Y318-I432 HydrophobicContact CE1-CD1 4.19Å; S319-I432 WeakPolarHBondContact OG-CG1 3.27Å; G329-I432 PolarHBondContact O-N 3.27Å; I432-T434 VanDerWaalsContact C-N 3.28Å; I432-T434 PolarHBondContact O-N 3Å; I432-I435 HydrophobicContact CD1-CB 4.23Å; I432-I435 HydrophobicContact CD1-CD1 4.46Å; I432-I435 HydrophobicContact CD1-CG2 4.27Å; I432-I435 PolarHBondContact O-N 3.14Å; I432-M436 HydrophobicContact CD1-CG 3.68Å; I432-M436 HydrophobicContact CD1-SD 4.26Å; I432-M436 HydrophobicContact CG1-CG 3.89Å; I432-M436 WeakPolarHBondContact O-CB 3.43Å; I432-M436 WeakPolarHBondContact O-CG 3.36Å; I432-M436 PolarHBondContact O-N 2.72Å; I432-L454 HydrophobicContact CD1-CD2 4.48Å |
| 433 | E | 80.1 | Confident | 73.3 | Confident | 43 Ų | 43 | 52.7 Ų | 52.7 | 20% | 0.201 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -36.3 | 174.4 | -70.2 | 169.5 | 155.7 | 0 | 0 | 111.8 | K216 L272 N431 G437 V438 S439 | K216-E433 IonicContact NZ-OE1 3.04Å; K216-E433 PolarHBondContact NZ-OE1 3.22Å; K216-E433 VanDerWaalsContact NZ-OE1 3.08Å; K216-E433 IonicContact NZ-OE2 3.29Å; L272-E433 HydrophobicContact CD1-CG 3.83Å; N431-E433 PolarHBondContact ND2-OE2 3.23Å; N431-E433 PolarHBondContact O-N 3.06Å; N431-E433 PolarHBondContact OD1-N 3.2Å; E433-G437 PolarHBondContact O-N 2.77Å; E433-G437 VanDerWaalsContact O-N 3.12Å; E433-V438 PolarHBondContact O-N 3.32Å; E433-S439 PolarHBondContact O-N 3.35Å |
| 434 | T | 77.6 | Confident | 71.4 | Confident | 41 Ų | 41 | 57.5 Ų | 57.5 | 25% | 0.252 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -73.1 | -47.9 | 175.5 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | N431 I432 M436 G437 V445 | N431-T434 WeakPolarHBondContact O-CA 3.09Å; N431-T434 VanDerWaalsContact O-CB 3.3Å; N431-T434 WeakPolarHBondContact O-CB 3.48Å; N431-T434 PolarHBondContact O-N 3.33Å; I432-T434 VanDerWaalsContact C-N 3.28Å; I432-T434 PolarHBondContact O-N 3Å; T434-M436 PolarHBondContact O-N 2.88Å; T434-G437 PolarHBondContact O-N 3.48Å; T434-G437 VanDerWaalsContact O-N 3.07Å; T434-V445 HydrophobicContact CG2-CG2 3.88Å |
| 435 | I | 78.3 | Confident | 69.8 | Low | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -54.8 | -45.4 | 176 | -64.6 | 170.2 | 0 | 0 | 0 | 109.6 | Y318 C430 N431 I432 G437 L446 L454 | Y318-I435 HydrophobicContact CE1-CD1 4.21Å; C430-I435 HydrophobicContact CB-CD1 4.09Å; C430-I435 HydrophobicContact CB-CG1 3.77Å; N431-I435 WeakPolarHBondContact O-CG1 3.26Å; N431-I435 PolarHBondContact O-N 2.68Å; I432-I435 HydrophobicContact CD1-CB 4.23Å; I432-I435 HydrophobicContact CD1-CD1 4.46Å; I432-I435 HydrophobicContact CD1-CG2 4.27Å; I432-I435 PolarHBondContact O-N 3.14Å; I435-G437 VanDerWaalsContact C-N 3.34Å; I435-G437 PolarHBondContact O-N 3.36Å; I435-L446 HydrophobicContact CG2-CD1 3.84Å; I435-L446 HydrophobicContact CG2-CD2 3.82Å; I435-L446 HydrophobicContact CG2-CG 3.77Å; I435-L446 WeakPolarHBondContact O-CD1 3.3Å; I435-L446 VanDerWaalsContact O-CG 3.23Å; I435-L446 WeakPolarHBondContact O-CG 3.44Å; I435-L454 HydrophobicContact CG2-CD2 4.25Å |
| 436 | M | 81.8 | Confident | 68.3 | Low | 10 Ų | 10 | 59.3 Ų | 59.3 | 5% | 0.049 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -6.1 | -178.1 | -62.7 | -60.9 | -69.1 | 0 | 0 | 114.6 | F268 K311 W312 I432 T434 V438 L446 L454 | F268-M436 HydrophobicContact CZ-CG 4.09Å; K311-M436 HydrophobicContact CB-CE 4.39Å; K311-M436 HydrophobicContact CG-CE 4.17Å; K311-M436 VanDerWaalsContact O-CE 3.26Å; K311-M436 WeakPolarHBondContact O-CE 3.45Å; W312-M436 HydrophobicContact CD2-CE 3.83Å; W312-M436 HydrophobicContact CE3-CE 3.39Å; W312-M436 HydrophobicContact CG-CE 4.38Å; W312-M436 HydrophobicContact CH2-CB 4.43Å; W312-M436 HydrophobicContact CH2-CE 4.37Å; W312-M436 HydrophobicContact CZ3-CB 3.9Å; W312-M436 HydrophobicContact CZ3-CE 3.69Å; I432-M436 HydrophobicContact CD1-CG 3.68Å; I432-M436 HydrophobicContact CD1-SD 4.26Å; I432-M436 HydrophobicContact CG1-CG 3.89Å; I432-M436 WeakPolarHBondContact O-CB 3.43Å; I432-M436 WeakPolarHBondContact O-CG 3.36Å; I432-M436 PolarHBondContact O-N 2.72Å; T434-M436 PolarHBondContact O-N 2.88Å; M436-V438 HydrophobicContact CB-CG2 4.08Å; M436-L446 HydrophobicContact SD-CD1 4.34Å; M436-L454 HydrophobicContact SD-CD1 4.06Å; M436-L454 HydrophobicContact SD-CD2 4.44Å |
| 437 | G | 73.6 | Confident | 67.2 | Low | 21 Ų | 21 | 53.9 Ų | 53.9 | 22% | 0.216 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 41.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | E433 T434 I435 | E433-G437 PolarHBondContact O-N 2.77Å; E433-G437 VanDerWaalsContact O-N 3.12Å; T434-G437 PolarHBondContact O-N 3.48Å; T434-G437 VanDerWaalsContact O-N 3.07Å; I435-G437 VanDerWaalsContact C-N 3.34Å; I435-G437 PolarHBondContact O-N 3.36Å |
| 438 | V | 72 | Confident | 66.2 | Low | 41 Ų | 41 | 55.8 Ų | 55.8 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | trans | -96 | -27.9 | 174.9 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | F268 W312 E433 M436 | F268-V438 HydrophobicContact CE1-CG2 4.13Å; W312-V438 HydrophobicContact CH2-CG2 3.61Å; W312-V438 HydrophobicContact CZ3-CG2 3.46Å; W312-V438 VanDerWaalsContact CZ3-CG2 3.46Å; E433-V438 PolarHBondContact O-N 3.32Å; M436-V438 HydrophobicContact CB-CG2 4.08Å | ||
| 439 | S | 59.4 | Low | 65.7 | Low | 37 Ų | 37 | 58 Ų | 58 | 26% | 0.259 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -65.6 | 147.5 | 169.7 | 49.4 | 0 | 0 | 0 | 0 | 110.5 | E433 S441 | E433-S439 PolarHBondContact O-N 3.35Å; S439-S441 PolarHBondContact O-N 3.22Å; S439-S441 PolarHBondContact OG-OG 3.46Å |
| 440 | D | 46.8 | Very low | 65.7 | Low | 177 Ų | 177 | 54.4 Ų | 54.4 | 95% | 0.947 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -62.6 | 0.4 | 177.2 | -71.9 | -33.5 | 0 | 0 | 0 | 113.5 | S442 | D440-S442 PolarHBondContact O-N 3.19Š|
| 441 | S | 46.5 | Very low | 66.1 | Low | 55 Ų | 55 | 52.9 Ų | 52.9 | 39% | 0.385 | 30% | 0.303 | S | S | . | . | trans | -70.3 | 108.9 | 170 | 58.3 | 0 | 0 | 0 | 0 | 110 | S439 Q443 | S439-S441 PolarHBondContact O-N 3.22Å; S439-S441 PolarHBondContact OG-OG 3.46Å; S441-Q443 PolarHBondContact O-N 3.47Å | ||
| 442 | S | 40.8 | Very low | 66.5 | Low | 122 Ų | 122 | 52 Ų | 52 | 85% | 0.853 | 30% | 0.296 | S | S | * | . | trans | -61.7 | 6 | 178.5 | 52 | 0 | 0 | 0 | 0 | 115.9 | D440 H444 | D440-S442 PolarHBondContact O-N 3.19Å; S442-H444 PolarHBondContact O-N 3.5Å | ||
| 443 | Q | 48.7 | Very low | 66.7 | Low | 149 Ų | 149 | 52 Ų | 52 | 70% | 0.696 | 30% | 0.296 | S | S | * | . | trans | -93.2 | 93.7 | 175.8 | -67.3 | -178.6 | -12.2 | 0 | 0 | 109 | S441 V445 | S441-Q443 PolarHBondContact O-N 3.47Å; Q443-V445 PolarHBondContact O-N 2.92Å; Q443-V445 VanDerWaalsContact O-N 3.17Å | ||
| 444 | H | 48.3 | Very low | 67.2 | Low | 138 Ų | 138 | 50 Ų | 50 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | trans | -64.2 | 112.4 | 162.1 | -78 | -64.8 | 0 | 0 | 0 | 107.8 | S442 | S442-H444 PolarHBondContact O-N 3.5Š| ||
| 445 | V | 54.1 | Low | 67.9 | Low | 55 Ų | 55 | 48 Ų | 48 | 33% | 0.333 | 28% | 0.275 | S | S | . | . | trans | -77.3 | -28.5 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | L427 T434 Q443 | L427-V445 HydrophobicContact CD2-CB 4.49Å; L427-V445 HydrophobicContact CD2-CG1 3.25Å; T434-V445 HydrophobicContact CG2-CG2 3.88Å; Q443-V445 PolarHBondContact O-N 2.92Å; Q443-V445 VanDerWaalsContact O-N 3.17Å | ||
| 446 | L | 54.6 | Low | 68.6 | Low | 27 Ų | 27 | 48.3 Ų | 48.3 | 14% | 0.141 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -70.7 | 135.6 | 176.9 | -70.8 | 172.9 | 0 | 0 | 0 | 111.4 | I435 M436 P450 Q453 | I435-L446 HydrophobicContact CG2-CD1 3.84Å; I435-L446 HydrophobicContact CG2-CD2 3.82Å; I435-L446 HydrophobicContact CG2-CG 3.77Å; I435-L446 WeakPolarHBondContact O-CD1 3.3Å; I435-L446 VanDerWaalsContact O-CG 3.23Å; I435-L446 WeakPolarHBondContact O-CG 3.44Å; M436-L446 HydrophobicContact SD-CD1 4.34Å; L446-P450 HydrophobicContact CB-CB 4.47Å; L446-P450 HydrophobicContact CD1-CB 3.78Å; L446-Q453 HydrophobicContact CD2-CB 3.9Å |
| 447 | T | 60.8 | Low | 69.1 | Low | 21 Ų | 21 | 47.9 Ų | 47.9 | 13% | 0.129 | 27% | 0.274 | C | S | . | . | trans | -64.2 | 170.3 | 165.8 | 63.3 | 0 | 0 | 0 | 0 | 109.9 | Y411 Q449 Q453 | Y411-T447 HydrophobicContact CD1-CG2 4.48Å; Y411-T447 HydrophobicContact CE1-CG2 4Å; T447-Q449 PolarHBondContact O-N 3.42Å; T447-Q453 PolarHBondContact OG1-NE2 3.14Å; T447-Q453 VanDerWaalsContact OG1-NE2 3.1Å; T447-Q453 PolarHBondContact OG1-OE1 3.21Å | ||
| 448 | P | 62 | Low | 70 | Confident | 55 Ų | 55 | 46.9 Ų | 46.9 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -60.9 | -2.2 | 176.6 | -25.7 | 38.2 | 0 | 0 | 0 | 115.4 | Y411 P450 | Y411-P448 VanDerWaalsContact CB-CG 3.45Å; Y411-P448 HydrophobicContact CD1-CG 4.33Å; Y411-P448 HydrophobicContact CD2-CG 4.06Å; Y411-P448 HydrophobicContact CG-CB 4.49Å; Y411-P448 HydrophobicContact CG-CG 3.72Å; P448-P450 WeakPolarHBondContact O-CD 3.47Å |
| 449 | Q | 74.5 | Confident | 71.1 | Confident | 45 Ų | 45 | 45 Ų | 45 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | trans | -110.5 | 65.2 | 173.1 | -62.9 | -62.9 | -9.9 | 0 | 0 | 112.8 | T447 C451 R452 Q453 | T447-Q449 PolarHBondContact O-N 3.42Å; Q449-C451 VanDerWaalsContact C-N 3.29Å; Q449-C451 PolarHBondContact O-N 3.27Å; Q449-R452 HydrophobicContact CB-CB 4.37Å; Q449-R452 PolarHBondContact O-N 3.24Å; Q449-Q453 PolarHBondContact O-N 3.41Å | ||
| 450 | P | 79.1 | Confident | 72.8 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 17% | 0.169 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.9 | -32.9 | -172.7 | 26.3 | -36 | 0 | 0 | 0 | 113.1 | K311 L446 P448 L454 | K311-P450 HydrophobicContact CB-CB 4.29Å; K311-P450 HydrophobicContact CB-CG 4.35Å; K311-P450 HydrophobicContact CD-CB 4.4Å; K311-P450 HydrophobicContact CD-CG 4.13Å; L446-P450 HydrophobicContact CB-CB 4.47Å; L446-P450 HydrophobicContact CD1-CB 3.78Å; P448-P450 WeakPolarHBondContact O-CD 3.47Å; P450-L454 VanDerWaalsContact O-CB 3.23Å; P450-L454 WeakPolarHBondContact O-CB 3.39Å; P450-L454 WeakPolarHBondContact O-CD1 3.48Å; P450-L454 WeakPolarHBondContact O-CG 3.45Å; P450-L454 PolarHBondContact O-N 3.31Å |
| 451 | C | 86.5 | Confident | 74.9 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.061 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.5 | -40.2 | -179.5 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | G307 L314 W372 Q449 T455 | G307-C451 PolarHBondContact O-SG 2.9Å; L314-C451 HydrophobicContact CD1-CB 4.15Å; W372-C451 HydrophobicContact CD2-CB 4.28Å; W372-C451 HydrophobicContact CE3-CB 3.51Å; W372-C451 HydrophobicContact CZ3-CB 4.01Å; Q449-C451 VanDerWaalsContact C-N 3.29Å; Q449-C451 PolarHBondContact O-N 3.27Å; C451-T455 VanDerWaalsContact O-CB 3.31Å; C451-T455 WeakPolarHBondContact O-CB 3.48Å; C451-T455 PolarHBondContact O-N 3.32Å; C451-T455 PolarHBondContact O-OG1 3.31Å |
| 452 | R | 87.5 | Confident | 77.1 | Confident | 18 Ų | 18 | 32.3 Ų | 32.3 | 7% | 0.068 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.7 | -48.7 | 178 | -173 | -173.5 | 72.6 | -144.9 | -4.7 | 110.9 | W372 E379 Q449 L454 T455 E456 | W372-R452 VanDerWaalsContact O-CA 3.25Å; W372-R452 WeakPolarHBondContact O-CA 3.29Å; W372-R452 WeakPolarHBondContact O-CB 3.23Å; E379-R452 VanDerWaalsContact CD-NH1 3.25Å; E379-R452 IonicContact OE1-CZ 3.35Å; E379-R452 IonicContact OE1-NH1 2.73Å; E379-R452 PolarHBondContact OE1-NH1 2.92Å; E379-R452 IonicContact OE1-NH2 2.71Å; E379-R452 IonicContact OE2-NH1 3.17Å; E379-R452 PolarHBondContact OE2-NH1 3.13Å; Q449-R452 HydrophobicContact CB-CB 4.37Å; Q449-R452 PolarHBondContact O-N 3.24Å; R452-L454 PolarHBondContact O-N 3.28Å; R452-T455 CarbonylContact O-C 3.18Å; R452-T455 WeakPolarHBondContact O-CA 3.41Å; R452-T455 VanDerWaalsContact O-CB 3.3Å; R452-T455 WeakPolarHBondContact O-CB 3.49Å; R452-T455 PolarHBondContact O-N 2.94Å; R452-E456 HydrophobicContact CG-CG 4.49Å; R452-E456 IonicContact NE-OE1 3.19Å; R452-E456 WeakPolarHBondContact O-CG 3.35Å; R452-E456 PolarHBondContact O-N 3.21Å |
| 453 | Q | 86.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 177.7 | -71.2 | -171.5 | -44 | 0 | 0 | 112.4 | L446 T447 Q449 T455 E456 L457 | L446-Q453 HydrophobicContact CD2-CB 3.9Å; T447-Q453 PolarHBondContact OG1-NE2 3.14Å; T447-Q453 VanDerWaalsContact OG1-NE2 3.1Å; T447-Q453 PolarHBondContact OG1-OE1 3.21Å; Q449-Q453 PolarHBondContact O-N 3.41Å; Q453-T455 PolarHBondContact O-N 3.47Å; Q453-E456 PolarHBondContact O-N 3.38Å; Q453-L457 WeakPolarHBondContact O-CB 3.38Å; Q453-L457 VanDerWaalsContact O-CG 3.23Å; Q453-L457 WeakPolarHBondContact O-CG 3.3Å; Q453-L457 PolarHBondContact O-N 3.48Å |
| 454 | L | 90.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.5 | -33.7 | 173.7 | -75.1 | 168.5 | 0 | 0 | 0 | 111.7 | K311 L314 I432 I435 M436 P450 R452 L457 I458 | K311-L454 HydrophobicContact CB-CD1 4.19Å; K311-L454 WeakPolarHBondContact O-CD1 3.34Å; L314-L454 HydrophobicContact CB-CB 4.14Å; L314-L454 HydrophobicContact CB-CD1 3.98Å; L314-L454 HydrophobicContact CD1-CB 4.3Å; I432-L454 HydrophobicContact CD1-CD2 4.48Å; I435-L454 HydrophobicContact CG2-CD2 4.25Å; M436-L454 HydrophobicContact SD-CD1 4.06Å; M436-L454 HydrophobicContact SD-CD2 4.44Å; P450-L454 VanDerWaalsContact O-CB 3.23Å; P450-L454 WeakPolarHBondContact O-CB 3.39Å; P450-L454 WeakPolarHBondContact O-CD1 3.48Å; P450-L454 WeakPolarHBondContact O-CG 3.45Å; P450-L454 PolarHBondContact O-N 3.31Å; R452-L454 PolarHBondContact O-N 3.28Å; L454-L457 HydrophobicContact CD2-CD1 4.5Å; L454-I458 WeakPolarHBondContact O-CB 3.21Å; L454-I458 WeakPolarHBondContact O-CD1 3.25Å; L454-I458 WeakPolarHBondContact O-CG1 3.5Å; L454-I458 PolarHBondContact O-N 2.79Å |
| 455 | T | 93.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.9 | -47.8 | 175.4 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | L368 F373 C451 R452 Q453 L457 I458 F459 | L368-T455 HydrophobicContact CB-CG2 3.76Å; L368-T455 HydrophobicContact CD1-CG2 4.35Å; L368-T455 HydrophobicContact CD2-CG2 4.43Å; L368-T455 HydrophobicContact CG-CG2 4.41Å; F373-T455 HydrophobicContact CB-CG2 4.28Å; F373-T455 HydrophobicContact CD2-CG2 4Å; C451-T455 VanDerWaalsContact O-CB 3.31Å; C451-T455 WeakPolarHBondContact O-CB 3.48Å; C451-T455 PolarHBondContact O-N 3.32Å; C451-T455 PolarHBondContact O-OG1 3.31Å; R452-T455 CarbonylContact O-C 3.18Å; R452-T455 WeakPolarHBondContact O-CA 3.41Å; R452-T455 VanDerWaalsContact O-CB 3.3Å; R452-T455 WeakPolarHBondContact O-CB 3.49Å; R452-T455 PolarHBondContact O-N 2.94Å; Q453-T455 PolarHBondContact O-N 3.47Å; T455-L457 PolarHBondContact O-N 3.36Å; T455-I458 PolarHBondContact O-N 2.88Å; T455-I458 VanDerWaalsContact O-N 3.14Å; T455-F459 HydrophobicContact CG2-CD2 3.77Å; T455-F459 HydrophobicContact CG2-CE2 3.44Å; T455-F459 VanDerWaalsContact CG2-CE2 3.44Å; T455-F459 WeakPolarHBondContact O-CD2 3.41Å; T455-F459 PolarHBondContact O-N 3.01Å |
| 456 | E | 93.3 | Very high | 85.3 | Confident | 7 Ų | 7 | 15.8 Ų | 15.8 | 3% | 0.033 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -56.7 | -39.2 | 173.6 | -69.4 | 163.3 | 166.9 | 0 | 0 | 111.2 | F373 V420 R452 Q453 T460 R495 L499 | F373-E456 HydrophobicContact CD2-CG 3.98Å; F373-E456 HydrophobicContact CE2-CB 4.47Å; F373-E456 HydrophobicContact CE2-CG 3.52Å; F373-E456 HydrophobicContact CZ-CG 4.37Å; V420-E456 HydrophobicContact CG2-CG 4.17Å; R452-E456 HydrophobicContact CG-CG 4.49Å; R452-E456 IonicContact NE-OE1 3.19Å; R452-E456 WeakPolarHBondContact O-CG 3.35Å; R452-E456 PolarHBondContact O-N 3.21Å; Q453-E456 PolarHBondContact O-N 3.38Å; E456-T460 WeakPolarHBondContact O-CB 3.3Å; E456-T460 PolarHBondContact O-N 2.89Å; E456-T460 PolarHBondContact O-OG1 3.01Å; E456-R495 IonicContact OE1-CZ 3.7Å; E456-R495 IonicContact OE1-NH1 3.11Å; E456-R495 PolarHBondContact OE1-NH1 2.83Å; E456-L499 HydrophobicContact CB-CD1 4.13Å; E456-L499 HydrophobicContact CG-CD1 4.07Å |
| 457 | L | 91.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.8 | -42.5 | 173.9 | -72.7 | 172.5 | 0 | 0 | 0 | 113.3 | Y318 A424 L427 Q453 L454 T455 F459 T460 I461 | Y318-L457 HydrophobicContact CD2-CB 3.99Å; Y318-L457 HydrophobicContact CE2-CB 3.83Å; A424-L457 HydrophobicContact CB-CD2 4.29Å; A424-L457 WeakPolarHBondContact O-CD2 3.18Å; L427-L457 HydrophobicContact CB-CD1 4.21Å; L427-L457 HydrophobicContact CB-CD2 3.61Å; L427-L457 HydrophobicContact CB-CG 4.45Å; L427-L457 HydrophobicContact CD1-CD1 4.31Å; L427-L457 HydrophobicContact CD1-CD2 4.43Å; Q453-L457 WeakPolarHBondContact O-CB 3.38Å; Q453-L457 VanDerWaalsContact O-CG 3.23Å; Q453-L457 WeakPolarHBondContact O-CG 3.3Å; Q453-L457 PolarHBondContact O-N 3.48Å; L454-L457 HydrophobicContact CD2-CD1 4.5Å; T455-L457 PolarHBondContact O-N 3.36Å; L457-F459 VanDerWaalsContact C-N 3.33Å; L457-F459 PolarHBondContact O-N 3.1Å; L457-T460 PolarHBondContact O-N 3.44Å; L457-I461 WeakPolarHBondContact O-CB 3.43Å; L457-I461 WeakPolarHBondContact O-CG1 3.38Å; L457-I461 PolarHBondContact O-N 3.08Å |
| 458 | I | 93.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 175.7 | -75.8 | 161.8 | 0 | 0 | 0 | 110.2 | L314 T317 Y318 L321 W361 M365 L368 L454 T455 F462 | L314-I458 HydrophobicContact CB-CD1 4.38Å; L314-I458 HydrophobicContact CD2-CD1 4.17Å; T317-I458 HydrophobicContact CG2-CD1 4.33Å; Y318-I458 HydrophobicContact CD2-CG1 4.49Å; L321-I458 HydrophobicContact CD1-CB 4.31Å; L321-I458 HydrophobicContact CD1-CG1 4.21Å; L321-I458 HydrophobicContact CD1-CG2 3.66Å; W361-I458 HydrophobicContact CH2-CG2 4.1Å; M365-I458 HydrophobicContact CE-CG2 3.91Å; M365-I458 HydrophobicContact SD-CG2 3.93Å; L368-I458 HydrophobicContact CD1-CB 4.41Å; L368-I458 HydrophobicContact CD1-CD1 4.16Å; L368-I458 HydrophobicContact CD1-CG2 3.82Å; L454-I458 WeakPolarHBondContact O-CB 3.21Å; L454-I458 WeakPolarHBondContact O-CD1 3.25Å; L454-I458 WeakPolarHBondContact O-CG1 3.5Å; L454-I458 PolarHBondContact O-N 2.79Å; T455-I458 PolarHBondContact O-N 2.88Å; T455-I458 VanDerWaalsContact O-N 3.14Å; I458-F462 VanDerWaalsContact O-CB 3.31Å; I458-F462 WeakPolarHBondContact O-CB 2.88Å; I458-F462 PolarHBondContact O-N 3.45Å |
| 459 | F | 94.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 173.9 | -77.3 | -64.1 | 0 | 0 | 0 | 111.8 | M365 L368 F369 F373 T455 L457 F462 C463 L473 F496 | M365-F459 HydrophobicContact CB-CE1 4.28Å; M365-F459 HydrophobicContact CE-CD1 3.1Å; M365-F459 HydrophobicContact CE-CE1 3.19Å; M365-F459 HydrophobicContact CE-CG 3.89Å; M365-F459 HydrophobicContact CE-CZ 4.01Å; M365-F459 HydrophobicContact SD-CE1 4.44Å; L368-F459 HydrophobicContact CB-CE2 4.5Å; L368-F459 HydrophobicContact CB-CZ 4.44Å; F369-F459 HydrophobicContact CB-CZ 4.08Å; F373-F459 AromaticContact CD2-CD2 3.91Å; F373-F459 HydrophobicContact CD2-CD2 3.91Å; F373-F459 AromaticContact CD2-CE2 3.81Å; F373-F459 HydrophobicContact CD2-CE2 3.81Å; F373-F459 AromaticContact CE2-CD2 3.95Å; F373-F459 HydrophobicContact CE2-CD2 3.95Å; F373-F459 HydrophobicContact CE2-CE2 4.24Å; F373-F459 HydrophobicContact CG-CE2 4.42Å; T455-F459 HydrophobicContact CG2-CD2 3.77Å; T455-F459 HydrophobicContact CG2-CE2 3.44Å; T455-F459 VanDerWaalsContact CG2-CE2 3.44Å; T455-F459 WeakPolarHBondContact O-CD2 3.41Å; T455-F459 PolarHBondContact O-N 3.01Å; L457-F459 VanDerWaalsContact C-N 3.33Å; L457-F459 PolarHBondContact O-N 3.1Å; F459-F462 WeakPolarHBondContact O-CB 2.82Å; F459-F462 PolarHBondContact O-N 3.5Å; F459-C463 PolarHBondContact O-N 3.19Å; F459-C463 PolarHBondContact O-SG 3.48Å; F459-L473 HydrophobicContact CD1-CD2 3.82Å; F459-L473 HydrophobicContact CE1-CD2 3.86Å; F459-F496 HydrophobicContact CB-CE2 4.13Å; F459-F496 HydrophobicContact CD1-CD2 4.28Å; F459-F496 AromaticContact CD1-CE2 3.34Å; F459-F496 HydrophobicContact CD1-CE2 3.34Å; F459-F496 HydrophobicContact CD1-CZ 4Å; F459-F496 HydrophobicContact CD2-CD2 4.43Å; F459-F496 HydrophobicContact CD2-CE2 4.22Å; F459-F496 HydrophobicContact CE1-CD2 4.5Å; F459-F496 AromaticContact CE1-CE2 3.69Å; F459-F496 HydrophobicContact CE1-CE2 3.69Å; F459-F496 HydrophobicContact CE1-CZ 4.16Å; F459-F496 HydrophobicContact CG-CD2 4.27Å; F459-F496 AromaticContact CG-CE2 3.66Å; F459-F496 HydrophobicContact CG-CE2 3.66Å; F459-F496 HydrophobicContact CZ-CE2 4.29Å |
| 460 | T | 93.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | -179.3 | -59 | 0 | 0 | 0 | 0 | 112.4 | A424 E456 L457 F462 C463 R464 Y503 | A424-T460 HydrophobicContact CB-CG2 4.16Å; A424-T460 WeakPolarHBondContact CB-OG1 3.38Å; E456-T460 WeakPolarHBondContact O-CB 3.3Å; E456-T460 PolarHBondContact O-N 2.89Å; E456-T460 PolarHBondContact O-OG1 3.01Å; L457-T460 PolarHBondContact O-N 3.44Å; T460-F462 VanDerWaalsContact C-N 3.31Å; T460-F462 PolarHBondContact O-N 3.38Å; T460-C463 PolarHBondContact O-N 2.95Å; T460-R464 WeakPolarHBondContact O-CB 3.36Å; T460-R464 WeakPolarHBondContact O-CG 3.39Å; T460-R464 PolarHBondContact O-N 3.39Å; T460-Y503 HydrophobicContact CG2-CE2 4.39Å |
| 461 | I | 91.8 | Very high | 91 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.3 | -38 | 175.7 | -71.7 | -61.9 | 0 | 0 | 0 | 111 | Y318 L321 Y328 C428 L457 R464 L465 | Y318-I461 HydrophobicContact CD2-CG1 4.1Å; Y318-I461 HydrophobicContact CE2-CD1 4.24Å; Y318-I461 HydrophobicContact CE2-CG1 3.44Å; Y318-I461 VanDerWaalsContact CE2-CG1 3.44Å; L321-I461 HydrophobicContact CB-CG2 3.74Å; Y328-I461 HydrophobicContact CD1-CD1 4.25Å; Y328-I461 HydrophobicContact CG-CD1 4.18Å; C428-I461 HydrophobicContact CB-CD1 4.16Å; L457-I461 WeakPolarHBondContact O-CB 3.43Å; L457-I461 WeakPolarHBondContact O-CG1 3.38Å; L457-I461 PolarHBondContact O-N 3.08Å; I461-R464 PolarHBondContact O-N 2.98Å; I461-L465 HydrophobicContact CG2-CD1 3.83Å; I461-L465 HydrophobicContact CG2-CG 4.33Å; I461-L465 WeakPolarHBondContact O-CB 3.31Å; I461-L465 PolarHBondContact O-N 2.79Å |
| 462 | F | 93.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.5 | -49.4 | 176.4 | -171.6 | -134.4 | 0 | 0 | 0 | 110.9 | M346 W361 M365 I458 F459 T460 R464 L465 Y466 A469 V472 L473 | M346-F462 HydrophobicContact CE-CE2 4.12Å; W361-F462 AromaticContact CD1-CE2 3.96Å; W361-F462 AromaticContact CD1-CZ 3.61Å; W361-F462 AromaticContact CE2-CE2 3.97Å; W361-F462 HydrophobicContact CZ2-CB 4.44Å; W361-F462 HydrophobicContact CZ2-CD1 4.36Å; W361-F462 AromaticContact CZ2-CD2 3.94Å; W361-F462 HydrophobicContact CZ2-CD2 3.94Å; W361-F462 HydrophobicContact CZ2-CE2 4.34Å; W361-F462 HydrophobicContact CZ2-CG 4.01Å; W361-F462 AromaticContact NE1-CD1 3.81Å; W361-F462 AromaticContact NE1-CD2 3.61Å; W361-F462 AromaticContact NE1-CE1 3.3Å; W361-F462 VanDerWaalsContact NE1-CE1 3.3Å; W361-F462 AromaticContact NE1-CE2 3.13Å; W361-F462 AromaticContact NE1-CG 3.97Å; W361-F462 AromaticContact NE1-CZ 2.97Å; M365-F462 HydrophobicContact CE-CB 4.43Å; M365-F462 HydrophobicContact CE-CD1 4.05Å; I458-F462 VanDerWaalsContact O-CB 3.31Å; I458-F462 WeakPolarHBondContact O-CB 2.88Å; I458-F462 PolarHBondContact O-N 3.45Å; F459-F462 WeakPolarHBondContact O-CB 2.82Å; F459-F462 PolarHBondContact O-N 3.5Å; T460-F462 VanDerWaalsContact C-N 3.31Å; T460-F462 PolarHBondContact O-N 3.38Å; F462-R464 VanDerWaalsContact C-N 3.26Å; F462-R464 PolarHBondContact O-N 2.84Å; F462-L465 PolarHBondContact O-N 3.29Å; F462-Y466 VanDerWaalsContact CD2-CB 3.42Å; F462-Y466 HydrophobicContact CD2-CD1 4.24Å; F462-Y466 AromaticContact CD2-CD2 3.71Å; F462-Y466 HydrophobicContact CD2-CD2 3.71Å; F462-Y466 AromaticContact CD2-CG 3.54Å; F462-Y466 HydrophobicContact CD2-CG 3.54Å; F462-Y466 HydrophobicContact CE2-CD1 4.11Å; F462-Y466 HydrophobicContact CE2-CD2 4.36Å; F462-Y466 AromaticContact CE2-CG 3.72Å; F462-Y466 HydrophobicContact CE2-CG 3.72Å; F462-Y466 WeakPolarHBondContact O-CB 3.37Å; F462-Y466 PolarHBondContact O-N 2.95Å; F462-Y466 VanDerWaalsContact O-N 3.08Å; F462-A469 HydrophobicContact CD1-CB 3.61Å; F462-A469 HydrophobicContact CD2-CB 4.05Å; F462-A469 HydrophobicContact CE1-CB 3.61Å; F462-A469 HydrophobicContact CE2-CB 4Å; F462-A469 HydrophobicContact CG-CB 3.82Å; F462-A469 HydrophobicContact CZ-CB 3.76Å; F462-A469 WeakPolarHBondContact O-CB 3.21Å; F462-V472 HydrophobicContact CE1-CB 4.22Å; F462-V472 HydrophobicContact CE1-CG1 4.11Å; F462-V472 HydrophobicContact CZ-CB 4.4Å; F462-V472 HydrophobicContact CZ-CG1 4.49Å; F462-L473 HydrophobicContact CD1-CD1 3.98Å; F462-L473 HydrophobicContact CD1-CD2 3.89Å; F462-L473 HydrophobicContact CD1-CG 3.96Å; F462-L473 HydrophobicContact CE1-CD1 4.47Å; F462-L473 HydrophobicContact CE1-CD2 4.02Å; F462-L473 HydrophobicContact CE1-CG 4.02Å |
| 463 | C | 93.6 | Very high | 91.4 | Very high | 11 Ų | 11 | 25 Ų | 25 | 7% | 0.074 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56 | -38.8 | 174.1 | -63.4 | 0 | 0 | 0 | 0 | 113.1 | F459 T460 L473 Y503 F504 | F459-C463 PolarHBondContact O-N 3.19Å; F459-C463 PolarHBondContact O-SG 3.48Å; T460-C463 PolarHBondContact O-N 2.95Å; C463-L473 WeakPolarHBondContact SG-CD1 3.5Å; C463-Y503 HydrophobicContact CB-CD2 3.47Å; C463-Y503 VanDerWaalsContact CB-CD2 3.47Å; C463-Y503 HydrophobicContact CB-CE2 3.99Å; C463-Y503 HydrophobicContact CB-CG 3.85Å; C463-F504 HydrophobicContact CB-CE2 4.23Å; C463-F504 HydrophobicContact CB-CZ 4.12Å |
| 464 | R | 90.1 | Very high | 91.7 | Very high | 63 Ų | 63 | 27.5 Ų | 27.5 | 24% | 0.238 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -75.1 | -39.6 | -177.3 | -80.1 | -178.6 | 171.1 | 179 | 1.7 | 114.4 | S425 T460 I461 F462 Y503 | S425-R464 PolarHBondContact OG-NH2 3.41Å; T460-R464 WeakPolarHBondContact O-CB 3.36Å; T460-R464 WeakPolarHBondContact O-CG 3.39Å; T460-R464 PolarHBondContact O-N 3.39Å; I461-R464 PolarHBondContact O-N 2.98Å; F462-R464 VanDerWaalsContact C-N 3.26Å; F462-R464 PolarHBondContact O-N 2.84Å; R464-Y503 HydrophobicContact CB-CE1 4.46Å; R464-Y503 HydrophobicContact CG-CD1 3.97Å; R464-Y503 HydrophobicContact CG-CE1 3.21Å; R464-Y503 HydrophobicContact CG-CE2 4.46Å; R464-Y503 PolarHBondContact NE-OH 3.44Å; R464-Y503 PolarHBondContact NH2-OH 2.91Å |
| 465 | L | 89.1 | Confident | 91.5 | Very high | 32 Ų | 32 | 32.4 Ų | 32.4 | 17% | 0.168 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -111.5 | -10.4 | -164.6 | -64.4 | -173.2 | 0 | 0 | 0 | 114.7 | K324 Y328 I461 F462 | K324-L465 HydrophobicContact CB-CB 4.38Å; K324-L465 HydrophobicContact CB-CD1 4.25Å; K324-L465 HydrophobicContact CD-CB 4.43Å; K324-L465 WeakPolarHBondContact CD-O 3.31Å; K324-L465 PolarHBondContact NZ-O 3.34Å; Y328-L465 HydrophobicContact CD2-CD1 4.12Å; Y328-L465 HydrophobicContact CD2-CD2 4.13Å; Y328-L465 HydrophobicContact CD2-CG 4.5Å; Y328-L465 HydrophobicContact CE2-CD1 4.42Å; Y328-L465 HydrophobicContact CE2-CD2 3.66Å; Y328-L465 HydrophobicContact CE2-CG 4.31Å; I461-L465 HydrophobicContact CG2-CD1 3.83Å; I461-L465 HydrophobicContact CG2-CG 4.33Å; I461-L465 WeakPolarHBondContact O-CB 3.31Å; I461-L465 PolarHBondContact O-N 2.79Å; F462-L465 PolarHBondContact O-N 3.29Å |
| 466 | Y | 90.7 | Very high | 91.2 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | trans | -127.2 | 119.5 | -171.9 | -65.9 | -102.8 | 0 | 0 | 0 | 110.7 | L321 K324 M346 F462 E468 A469 | L321-Y466 WeakPolarHBondContact CA-OH 3.28Å; L321-Y466 HydrophobicContact CB-CE2 4.31Å; L321-Y466 HydrophobicContact CD2-CE2 4.05Å; L321-Y466 PolarHBondContact O-OH 3.34Å; K324-Y466 HydrophobicContact CD-CD1 4.24Å; K324-Y466 HydrophobicContact CD-CD2 4.45Å; K324-Y466 HydrophobicContact CD-CE1 3.91Å; K324-Y466 HydrophobicContact CD-CE2 4.13Å; K324-Y466 HydrophobicContact CD-CG 4.48Å; K324-Y466 VanDerWaalsContact CE-CE1 3.49Å; M346-Y466 HydrophobicContact CE-CD1 4.07Å; M346-Y466 HydrophobicContact CE-CE1 3.91Å; M346-Y466 HydrophobicContact SD-CE1 3.98Å; F462-Y466 VanDerWaalsContact CD2-CB 3.42Å; F462-Y466 HydrophobicContact CD2-CD1 4.24Å; F462-Y466 AromaticContact CD2-CD2 3.71Å; F462-Y466 HydrophobicContact CD2-CD2 3.71Å; F462-Y466 AromaticContact CD2-CG 3.54Å; F462-Y466 HydrophobicContact CD2-CG 3.54Å; F462-Y466 HydrophobicContact CE2-CD1 4.11Å; F462-Y466 HydrophobicContact CE2-CD2 4.36Å; F462-Y466 AromaticContact CE2-CG 3.72Å; F462-Y466 HydrophobicContact CE2-CG 3.72Å; F462-Y466 WeakPolarHBondContact O-CB 3.37Å; F462-Y466 PolarHBondContact O-N 2.95Å; F462-Y466 VanDerWaalsContact O-N 3.08Å; Y466-E468 PolarHBondContact O-N 3.17Å; Y466-A469 WeakPolarHBondContact O-CB 3.24Å; Y466-A469 PolarHBondContact O-N 3.33Å; Y466-A469 VanDerWaalsContact O-N 3.11Å | ||
| 467 | E | 86.7 | Confident | 91 | Very high | 185 Ų | 185 | 32.3 Ų | 32.3 | 86% | 0.864 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -30.3 | 178.8 | -64.3 | -179.2 | 178.1 | 0 | 0 | 111.4 | A469 | E467-A469 PolarHBondContact O-N 3.13Š|
| 468 | E | 88.4 | Confident | 90.7 | Very high | 106 Ų | 106 | 37.4 Ų | 37.4 | 50% | 0.495 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -8.9 | 177.2 | -49.2 | 90.6 | 164.3 | 0 | 0 | 113 | Y466 D470 P471 V472 | Y466-E468 PolarHBondContact O-N 3.17Å; E468-D470 VanDerWaalsContact C-N 3.32Å; E468-D470 PolarHBondContact O-N 3.32Å; E468-P471 WeakPolarHBondContact O-CD 3.49Å; E468-P471 WeakPolarHBondContact O-CG 3.5Å; E468-V472 WeakPolarHBondContact O-CB 3.49Å; E468-V472 VanDerWaalsContact O-CG2 3.25Å; E468-V472 WeakPolarHBondContact O-CG2 3.5Å; E468-V472 PolarHBondContact O-N 2.81Å |
| 469 | A | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F462 Y466 E467 V472 L473 F504 | F462-A469 HydrophobicContact CD1-CB 3.61Å; F462-A469 HydrophobicContact CD2-CB 4.05Å; F462-A469 HydrophobicContact CE1-CB 3.61Å; F462-A469 HydrophobicContact CE2-CB 4Å; F462-A469 HydrophobicContact CG-CB 3.82Å; F462-A469 HydrophobicContact CZ-CB 3.76Å; F462-A469 WeakPolarHBondContact O-CB 3.21Å; Y466-A469 WeakPolarHBondContact O-CB 3.24Å; Y466-A469 PolarHBondContact O-N 3.33Å; Y466-A469 VanDerWaalsContact O-N 3.11Å; E467-A469 PolarHBondContact O-N 3.13Å; A469-V472 PolarHBondContact O-N 3.04Å; A469-L473 HydrophobicContact CB-CD1 4.25Å; A469-L473 WeakPolarHBondContact O-CB 3.19Å; A469-L473 WeakPolarHBondContact O-CG 3.21Å; A469-L473 PolarHBondContact O-N 3.15Å; A469-F504 HydrophobicContact CB-CZ 4.11Å |
| 470 | D | 92.9 | Very high | 89.6 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.8 | -59.8 | -177.2 | 167.3 | 51.5 | 0 | 0 | 0 | 114.5 | E468 V472 L473 Y474 F504 K507 Y509 W510 | E468-D470 VanDerWaalsContact C-N 3.32Å; E468-D470 PolarHBondContact O-N 3.32Å; D470-V472 VanDerWaalsContact C-N 3.34Å; D470-V472 PolarHBondContact O-N 3.37Å; D470-L473 PolarHBondContact O-N 3.02Å; D470-Y474 VanDerWaalsContact O-CB 3.31Å; D470-Y474 WeakPolarHBondContact O-CB 3.37Å; D470-Y474 PolarHBondContact O-N 2.79Å; D470-F504 HydrophobicContact CB-CD1 4.2Å; D470-F504 HydrophobicContact CB-CE1 3.77Å; D470-F504 HydrophobicContact CB-CE2 4.29Å; D470-F504 HydrophobicContact CB-CZ 3.82Å; D470-K507 VanDerWaalsContact CB-NZ 3.32Å; D470-K507 IonicContact OD1-NZ 3.38Å; D470-K507 IonicContact OD2-NZ 3.41Å; D470-K507 PolarHBondContact OD2-NZ 2.84Å; D470-Y509 WeakPolarHBondContact OD1-CE2 3.09Å; D470-Y509 PolarHBondContact OD1-OH 3.42Å; D470-Y509 PolarHBondContact OD2-OH 3.3Å; D470-W510 PolarHBondContact OD1-NE1 3.33Å |
| 471 | P | 91 | Very high | 88.5 | Confident | 66 Ų | 66 | 47.3 Ų | 47.3 | 43% | 0.429 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 179.1 | 24.1 | -33.8 | 0 | 0 | 0 | 111.9 | E468 L473 Y474 D475 | E468-P471 WeakPolarHBondContact O-CD 3.49Å; E468-P471 WeakPolarHBondContact O-CG 3.5Å; P471-L473 PolarHBondContact O-N 2.81Å; P471-Y474 PolarHBondContact O-N 3.49Å; P471-D475 VanDerWaalsContact O-CB 3.32Å; P471-D475 WeakPolarHBondContact O-CB 3.03Å; P471-D475 PolarHBondContact O-N 3.14Å |
| 472 | V | 89.9 | Confident | 87.3 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -47.2 | -179.1 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | T362 F462 E468 A469 D470 D475 I476 | T362-V472 HydrophobicContact CG2-CG1 4.46Å; F462-V472 HydrophobicContact CE1-CB 4.22Å; F462-V472 HydrophobicContact CE1-CG1 4.11Å; F462-V472 HydrophobicContact CZ-CB 4.4Å; F462-V472 HydrophobicContact CZ-CG1 4.49Å; E468-V472 WeakPolarHBondContact O-CB 3.49Å; E468-V472 VanDerWaalsContact O-CG2 3.25Å; E468-V472 WeakPolarHBondContact O-CG2 3.5Å; E468-V472 PolarHBondContact O-N 2.81Å; A469-V472 PolarHBondContact O-N 3.04Å; D470-V472 VanDerWaalsContact C-N 3.34Å; D470-V472 PolarHBondContact O-N 3.37Å; V472-D475 PolarHBondContact O-N 2.91Å; V472-I476 HydrophobicContact CG1-CD1 4.16Å; V472-I476 VanDerWaalsContact O-CG1 3.22Å; V472-I476 WeakPolarHBondContact O-CG1 3.43Å; V472-I476 PolarHBondContact O-N 2.59Å |
| 473 | L | 93.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.2 | -34.7 | -177.5 | -66.5 | -176.3 | 0 | 0 | 0 | 112 | M365 F459 F462 C463 A469 D470 P471 I476 V477 F496 F504 W510 | M365-L473 HydrophobicContact CE-CD2 4.35Å; F459-L473 HydrophobicContact CD1-CD2 3.82Å; F459-L473 HydrophobicContact CE1-CD2 3.86Å; F462-L473 HydrophobicContact CD1-CD1 3.98Å; F462-L473 HydrophobicContact CD1-CD2 3.89Å; F462-L473 HydrophobicContact CD1-CG 3.96Å; F462-L473 HydrophobicContact CE1-CD1 4.47Å; F462-L473 HydrophobicContact CE1-CD2 4.02Å; F462-L473 HydrophobicContact CE1-CG 4.02Å; C463-L473 WeakPolarHBondContact SG-CD1 3.5Å; A469-L473 HydrophobicContact CB-CD1 4.25Å; A469-L473 WeakPolarHBondContact O-CB 3.19Å; A469-L473 WeakPolarHBondContact O-CG 3.21Å; A469-L473 PolarHBondContact O-N 3.15Å; D470-L473 PolarHBondContact O-N 3.02Å; P471-L473 PolarHBondContact O-N 2.81Å; L473-I476 HydrophobicContact CD2-CD1 3.99Å; L473-I476 WeakPolarHBondContact O-CB 3.39Å; L473-I476 PolarHBondContact O-N 2.86Å; L473-V477 WeakPolarHBondContact O-CG2 3.29Å; L473-V477 PolarHBondContact O-N 3.43Å; L473-V477 VanDerWaalsContact O-N 3.13Å; L473-F496 HydrophobicContact CB-CE1 4.21Å; L473-F496 HydrophobicContact CB-CZ 3.85Å; L473-F496 HydrophobicContact CD1-CZ 3.95Å; L473-F496 HydrophobicContact CD2-CE2 4.46Å; L473-F496 HydrophobicContact CD2-CZ 3.77Å; L473-F496 HydrophobicContact CG-CZ 4.02Å; L473-F504 HydrophobicContact CD1-CE2 4.34Å; L473-W510 HydrophobicContact CB-CZ2 4.4Å |
| 474 | Y | 91.6 | Very high | 83.8 | Confident | 54 Ų | 54 | 57.6 Ų | 57.6 | 21% | 0.212 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 173.5 | -168.4 | -102.1 | 0 | 0 | 0 | 111.5 | D470 P471 I476 V477 Q478 Y509 W510 L513 | D470-Y474 VanDerWaalsContact O-CB 3.31Å; D470-Y474 WeakPolarHBondContact O-CB 3.37Å; D470-Y474 PolarHBondContact O-N 2.79Å; P471-Y474 PolarHBondContact O-N 3.49Å; Y474-I476 VanDerWaalsContact C-N 3.31Å; Y474-I476 PolarHBondContact O-N 2.8Å; Y474-V477 PolarHBondContact O-N 3.17Å; Y474-V477 VanDerWaalsContact O-N 3.14Å; Y474-Q478 HydrophobicContact CD1-CG 3.96Å; Y474-Q478 HydrophobicContact CE1-CG 3.7Å; Y474-Q478 WeakPolarHBondContact O-CG 3.19Å; Y474-Q478 PolarHBondContact O-N 3.32Å; Y474-Q478 PolarHBondContact OH-NE2 3.5Å; Y474-Y509 HydrophobicContact CD1-CD2 4.24Å; Y474-Y509 AromaticContact CD2-CD2 3.55Å; Y474-Y509 HydrophobicContact CD2-CD2 3.55Å; Y474-Y509 AromaticContact CD2-CE2 3.96Å; Y474-Y509 HydrophobicContact CD2-CE2 3.96Å; Y474-Y509 HydrophobicContact CE1-CD2 4.18Å; Y474-Y509 AromaticContact CE2-CD2 3.49Å; Y474-Y509 HydrophobicContact CE2-CD2 3.49Å; Y474-Y509 VanDerWaalsContact CE2-CD2 3.49Å; Y474-Y509 HydrophobicContact CE2-CE2 4.36Å; Y474-Y509 HydrophobicContact CE2-CG 4.33Å; Y474-Y509 AromaticContact CG-CD2 3.92Å; Y474-Y509 HydrophobicContact CG-CD2 3.92Å; Y474-Y509 HydrophobicContact CG-CE2 4.07Å; Y474-Y509 AromaticContact CZ-CD2 3.8Å; Y474-W510 HydrophobicContact CD2-CD2 4.24Å; Y474-W510 AromaticContact CD2-CE2 3.95Å; Y474-W510 HydrophobicContact CD2-CZ2 4.15Å; Y474-L513 HydrophobicContact CD2-CD2 4.28Å; Y474-L513 HydrophobicContact CE2-CB 4.39Å; Y474-L513 HydrophobicContact CE2-CD2 3.9Å |
| 475 | D | 87.7 | Confident | 82.4 | Confident | 102 Ų | 102 | 61.8 Ų | 61.8 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 175.4 | -74.3 | -15.1 | 0 | 0 | 0 | 112 | P471 V472 V477 Q478 S479 | P471-D475 VanDerWaalsContact O-CB 3.32Å; P471-D475 WeakPolarHBondContact O-CB 3.03Å; P471-D475 PolarHBondContact O-N 3.14Å; V472-D475 PolarHBondContact O-N 2.91Å; D475-V477 PolarHBondContact O-N 3.33Å; D475-Q478 PolarHBondContact O-N 3.05Å; D475-S479 WeakPolarHBondContact O-CB 3.15Å; D475-S479 PolarHBondContact O-N 3.41Å; D475-S479 PolarHBondContact O-OG 2.9Å |
| 476 | I | 86.3 | Confident | 81.8 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.9 | -51.2 | 172.7 | -74.2 | 172.9 | 0 | 0 | 0 | 110 | M365 M366 V472 L473 Y474 Q478 S479 I480 | M365-I476 HydrophobicContact CB-CD1 3.64Å; M366-I476 HydrophobicContact CG-CD1 4.36Å; M366-I476 HydrophobicContact CG-CG1 3.96Å; M366-I476 HydrophobicContact SD-CB 3.86Å; M366-I476 HydrophobicContact SD-CD1 4.33Å; M366-I476 HydrophobicContact SD-CG1 3.57Å; M366-I476 VanDerWaalsContact SD-CG1 3.57Å; M366-I476 HydrophobicContact SD-CG2 3.52Å; M366-I476 VanDerWaalsContact SD-CG2 3.52Å; V472-I476 HydrophobicContact CG1-CD1 4.16Å; V472-I476 VanDerWaalsContact O-CG1 3.22Å; V472-I476 WeakPolarHBondContact O-CG1 3.43Å; V472-I476 PolarHBondContact O-N 2.59Å; L473-I476 HydrophobicContact CD2-CD1 3.99Å; L473-I476 WeakPolarHBondContact O-CB 3.39Å; L473-I476 PolarHBondContact O-N 2.86Å; Y474-I476 VanDerWaalsContact C-N 3.31Å; Y474-I476 PolarHBondContact O-N 2.8Å; I476-Q478 VanDerWaalsContact C-N 3.35Å; I476-Q478 PolarHBondContact O-N 2.87Å; I476-S479 PolarHBondContact O-N 2.86Å; I476-S479 PolarHBondContact O-OG 3.28Å; I476-I480 HydrophobicContact CG2-CD1 3.99Å; I476-I480 WeakPolarHBondContact O-CD1 3.42Å; I476-I480 VanDerWaalsContact O-CG1 3.29Å; I476-I480 WeakPolarHBondContact O-CG1 3.44Å; I476-I480 PolarHBondContact O-N 2.88Å |
| 477 | V | 88 | Confident | 81.1 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.024 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 179.2 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | L473 Y474 D475 S479 I480 V493 F496 L513 | L473-V477 WeakPolarHBondContact O-CG2 3.29Å; L473-V477 PolarHBondContact O-N 3.43Å; L473-V477 VanDerWaalsContact O-N 3.13Å; Y474-V477 PolarHBondContact O-N 3.17Å; Y474-V477 VanDerWaalsContact O-N 3.14Å; D475-V477 PolarHBondContact O-N 3.33Å; V477-S479 VanDerWaalsContact C-N 3.3Å; V477-S479 PolarHBondContact O-N 3.19Å; V477-I480 PolarHBondContact O-N 3.05Å; V477-V493 HydrophobicContact CG1-CG1 3.78Å; V477-F496 HydrophobicContact CG2-CD1 3.46Å; V477-F496 VanDerWaalsContact CG2-CD1 3.46Å; V477-F496 HydrophobicContact CG2-CE1 3.52Å; V477-L513 HydrophobicContact CG1-CD1 4.29Å; V477-L513 HydrophobicContact CG1-CD2 3.86Å |
| 478 | Q | 85.5 | Confident | 80.8 | Confident | 108 Ų | 108 | 62.9 Ų | 62.9 | 51% | 0.505 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.7 | -30.6 | 178.5 | -66.8 | -60.4 | -40.9 | 0 | 0 | 113.1 | Y474 D475 I476 I480 | Y474-Q478 HydrophobicContact CD1-CG 3.96Å; Y474-Q478 HydrophobicContact CE1-CG 3.7Å; Y474-Q478 WeakPolarHBondContact O-CG 3.19Å; Y474-Q478 PolarHBondContact O-N 3.32Å; Y474-Q478 PolarHBondContact OH-NE2 3.5Å; D475-Q478 PolarHBondContact O-N 3.05Å; I476-Q478 VanDerWaalsContact C-N 3.35Å; I476-Q478 PolarHBondContact O-N 2.87Å; Q478-I480 VanDerWaalsContact C-N 3.29Å; Q478-I480 PolarHBondContact O-N 3.21Å |
| 479 | S | 82.9 | Confident | 80.7 | Confident | 74 Ų | 74 | 59.5 Ų | 59.5 | 52% | 0.517 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74.6 | -19.7 | 178.5 | 76.7 | 0 | 0 | 0 | 0 | 113.5 | D475 I476 V477 N481 | D475-S479 WeakPolarHBondContact O-CB 3.15Å; D475-S479 PolarHBondContact O-N 3.41Å; D475-S479 PolarHBondContact O-OG 2.9Å; I476-S479 PolarHBondContact O-N 2.86Å; I476-S479 PolarHBondContact O-OG 3.28Å; V477-S479 VanDerWaalsContact C-N 3.3Å; V477-S479 PolarHBondContact O-N 3.19Å; S479-N481 PolarHBondContact O-N 2.84Å |
| 480 | I | 82.8 | Confident | 80.6 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -78.8 | 121 | -177.5 | -69.2 | 158.6 | 0 | 0 | 0 | 109.6 | F369 I476 V477 Q478 L482 I489 V493 | F369-I480 HydrophobicContact CD1-CD1 3.64Å; F369-I480 HydrophobicContact CD1-CG1 4.41Å; F369-I480 HydrophobicContact CE1-CD1 3.24Å; F369-I480 HydrophobicContact CE1-CG1 4.06Å; F369-I480 HydrophobicContact CE2-CD1 4.28Å; F369-I480 HydrophobicContact CG-CD1 4.33Å; F369-I480 HydrophobicContact CZ-CD1 3.6Å; I476-I480 HydrophobicContact CG2-CD1 3.99Å; I476-I480 WeakPolarHBondContact O-CD1 3.42Å; I476-I480 VanDerWaalsContact O-CG1 3.29Å; I476-I480 WeakPolarHBondContact O-CG1 3.44Å; I476-I480 PolarHBondContact O-N 2.88Å; V477-I480 PolarHBondContact O-N 3.05Å; Q478-I480 VanDerWaalsContact C-N 3.29Å; Q478-I480 PolarHBondContact O-N 3.21Å; I480-L482 HydrophobicContact CG2-CD2 4.25Å; I480-L482 PolarHBondContact O-N 3.1Å; I480-I489 HydrophobicContact CG2-CG2 3.2Å; I480-V493 HydrophobicContact CB-CG2 4.48Å; I480-V493 HydrophobicContact CD1-CG2 4.06Å; I480-V493 HydrophobicContact CG2-CG2 3.99Å |
| 481 | N | 71 | Confident | 80.5 | Confident | 116 Ų | 116 | 59.7 Ų | 59.7 | 62% | 0.62 | 32% | 0.322 | S | S | * | . | trans | -72.5 | 102.3 | 173.9 | -174.5 | -4.5 | 0 | 0 | 0 | 110.7 | S479 G483 | S479-N481 PolarHBondContact O-N 2.84Å; N481-G483 PolarHBondContact O-N 3.36Å; N481-G483 WeakPolarHBondContact OD1-CA 3.41Å; N481-G483 PolarHBondContact OD1-N 3.35Å | ||
| 482 | L | 67.6 | Low | 80.5 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 31% | 0.314 | 30% | 0.301 | S | S | . | . | trans | -74.1 | 10.7 | 175.8 | -61.9 | 178.2 | 0 | 0 | 0 | 114.3 | I480 F490 V493 L517 | I480-L482 HydrophobicContact CG2-CD2 4.25Å; I480-L482 PolarHBondContact O-N 3.1Å; L482-F490 HydrophobicContact CB-CD2 4.45Å; L482-F490 HydrophobicContact CD2-CD2 4.13Å; L482-V493 HydrophobicContact CD2-CB 3.91Å; L482-V493 HydrophobicContact CD2-CG1 4.11Å; L482-V493 HydrophobicContact CD2-CG2 3.68Å; L482-L517 HydrophobicContact CD1-CD2 4.35Å | ||
| 483 | G | 60.7 | Low | 80.6 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 32% | 0.32 | 30% | 0.296 | S | S | . | . | trans | -46.7 | 143.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N481 N485 K486 | N481-G483 PolarHBondContact O-N 3.36Å; N481-G483 WeakPolarHBondContact OD1-CA 3.41Å; N481-G483 PolarHBondContact OD1-N 3.35Å; G483-N485 PolarHBondContact O-N 3.27Å; G483-K486 PolarHBondContact O-N 2.98Å | ||
| 484 | T | 53.2 | Low | 80.7 | Confident | 138 Ų | 138 | 55.6 Ų | 55.6 | 85% | 0.847 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -20.4 | -172.6 | 51.1 | 0 | 0 | 0 | 0 | 115.2 | K486 | T484-K486 VanDerWaalsContact C-N 3.35Š|
| 485 | N | 59.3 | Low | 80.8 | Confident | 150 Ų | 150 | 53.1 Ų | 53.1 | 80% | 0.802 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -5.9 | 178.5 | -64.4 | -14.9 | 0 | 0 | 0 | 114.5 | G483 P487 | G483-N485 PolarHBondContact O-N 3.27Å; N485-P487 VanDerWaalsContact C-CD 3.42Å; N485-P487 WeakPolarHBondContact O-CD 3.32Å |
| 486 | K | 76.1 | Confident | 81.1 | Confident | 112 Ų | 112 | 48.3 Ų | 48.3 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | trans | -126.5 | 63.9 | -175.5 | -61.2 | -167.4 | -174.4 | -178.8 | 0 | 113.1 | G483 T484 Y488 I489 F490 | G483-K486 PolarHBondContact O-N 2.98Å; T484-K486 VanDerWaalsContact C-N 3.35Å; K486-Y488 VanDerWaalsContact C-N 3.32Å; K486-Y488 PolarHBondContact O-N 3.39Å; K486-I489 HydrophobicContact CB-CB 4.19Å; K486-I489 HydrophobicContact CB-CD1 3.96Å; K486-I489 HydrophobicContact CB-CG1 4.06Å; K486-I489 HydrophobicContact CD-CD1 3.46Å; K486-I489 VanDerWaalsContact CD-CD1 3.46Å; K486-I489 HydrophobicContact CD-CG1 4.42Å; K486-I489 HydrophobicContact CG-CD1 4.34Å; K486-I489 WeakPolarHBondContact O-CB 3.41Å; K486-I489 PolarHBondContact O-N 3.31Å; K486-F490 PolarHBondContact O-N 2.71Å | ||
| 487 | P | 76.8 | Confident | 81.5 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 20% | 0.195 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.7 | -22.4 | -170.6 | 32.1 | -41 | 0 | 0 | 0 | 114.9 | N485 I489 F490 E491 T542 I546 | N485-P487 VanDerWaalsContact C-CD 3.42Å; N485-P487 WeakPolarHBondContact O-CD 3.32Å; P487-I489 VanDerWaalsContact C-N 3.26Å; P487-I489 PolarHBondContact O-N 2.9Å; P487-F490 WeakPolarHBondContact O-CB 3.48Å; P487-F490 PolarHBondContact O-N 2.99Å; P487-E491 PolarHBondContact O-N 3.32Å; P487-T542 HydrophobicContact CB-CG2 3.02Å; P487-T542 HydrophobicContact CG-CG2 3.04Å; P487-I546 HydrophobicContact CB-CD1 3.88Å |
| 488 | Y | 80.8 | Confident | 81.9 | Confident | 109 Ų | 109 | 48 Ų | 48 | 43% | 0.427 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.3 | -29.9 | 171.5 | -44.5 | -62.9 | 0 | 0 | 0 | 112.3 | L380 K486 A492 T542 | L380-Y488 HydrophobicContact CD1-CD1 3.24Å; L380-Y488 HydrophobicContact CD1-CE1 3.34Å; L380-Y488 HydrophobicContact CD1-CG 4.24Å; K486-Y488 VanDerWaalsContact C-N 3.32Å; K486-Y488 PolarHBondContact O-N 3.39Å; Y488-A492 WeakPolarHBondContact O-CB 3.45Å; Y488-A492 PolarHBondContact O-N 2.86Å; Y488-T542 HydrophobicContact CE1-CG2 4.47Å |
| 489 | I | 86.8 | Confident | 82.3 | Confident | 36 Ų | 36 | 43 Ų | 43 | 19% | 0.185 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.6 | -39.4 | 172.4 | -60 | -170.2 | 0 | 0 | 0 | 109.5 | I480 K486 P487 A492 V493 | I480-I489 HydrophobicContact CG2-CG2 3.2Å; K486-I489 HydrophobicContact CB-CB 4.19Å; K486-I489 HydrophobicContact CB-CD1 3.96Å; K486-I489 HydrophobicContact CB-CG1 4.06Å; K486-I489 HydrophobicContact CD-CD1 3.46Å; K486-I489 VanDerWaalsContact CD-CD1 3.46Å; K486-I489 HydrophobicContact CD-CG1 4.42Å; K486-I489 HydrophobicContact CG-CD1 4.34Å; K486-I489 WeakPolarHBondContact O-CB 3.41Å; K486-I489 PolarHBondContact O-N 3.31Å; P487-I489 VanDerWaalsContact C-N 3.26Å; P487-I489 PolarHBondContact O-N 2.9Å; I489-A492 PolarHBondContact O-N 3.11Å; I489-V493 HydrophobicContact CG2-CG2 4.44Å; I489-V493 WeakPolarHBondContact O-CG2 3.4Å; I489-V493 PolarHBondContact O-N 2.83Å |
| 490 | F | 88.7 | Confident | 82.9 | Confident | 18 Ų | 18 | 39.5 Ų | 39.5 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.9 | -169.6 | -105.7 | 0 | 0 | 0 | 112 | L482 K486 P487 A492 V493 M494 L517 D520 I546 | L482-F490 HydrophobicContact CB-CD2 4.45Å; L482-F490 HydrophobicContact CD2-CD2 4.13Å; K486-F490 PolarHBondContact O-N 2.71Å; P487-F490 WeakPolarHBondContact O-CB 3.48Å; P487-F490 PolarHBondContact O-N 2.99Å; F490-A492 PolarHBondContact O-N 3.31Å; F490-V493 PolarHBondContact O-N 3.45Å; F490-M494 HydrophobicContact CD1-CE 3.67Å; F490-M494 HydrophobicContact CD1-SD 4.31Å; F490-M494 HydrophobicContact CE1-CE 3.7Å; F490-M494 HydrophobicContact CE1-CG 4.38Å; F490-M494 HydrophobicContact CE1-SD 3.79Å; F490-M494 HydrophobicContact CZ-SD 4.35Å; F490-M494 PolarHBondContact O-N 3.5Å; F490-L517 HydrophobicContact CD2-CD2 4.28Å; F490-L517 HydrophobicContact CE2-CD2 3.47Å; F490-L517 VanDerWaalsContact CE2-CD2 3.47Å; F490-L517 HydrophobicContact CZ-CD2 3.88Å; F490-D520 HydrophobicContact CZ-CB 3.93Å; F490-I546 HydrophobicContact CD1-CD1 3.85Å; F490-I546 HydrophobicContact CD1-CG1 3.97Å; F490-I546 HydrophobicContact CD1-CG2 3.96Å; F490-I546 HydrophobicContact CE1-CG2 3.79Å |
| 491 | E | 90 | Very high | 83.4 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.019 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.5 | -48.8 | 170.7 | -174 | -73.5 | 144.6 | 0 | 0 | 111.8 | F417 P487 V493 M494 R495 I545 R549 | F417-E491 HydrophobicContact CE2-CG 4.2Å; F417-E491 VanDerWaalsContact CE2-OE1 3.22Å; F417-E491 WeakPolarHBondContact CE2-OE1 3.5Å; F417-E491 HydrophobicContact CZ-CG 4.44Å; P487-E491 PolarHBondContact O-N 3.32Å; E491-V493 VanDerWaalsContact C-N 3.27Å; E491-V493 PolarHBondContact O-N 2.88Å; E491-M494 PolarHBondContact O-N 3.1Å; E491-M494 VanDerWaalsContact O-N 3.15Å; E491-R495 PolarHBondContact O-N 3.39Å; E491-R495 WeakPolarHBondContact OE1-CB 3.05Å; E491-R495 IonicContact OE1-NE 2.77Å; E491-R495 PolarHBondContact OE1-NE 2.96Å; E491-R495 IonicContact OE2-CZ 2.72Å; E491-R495 IonicContact OE2-NE 3.33Å; E491-R495 PolarHBondContact OE2-NE 2.83Å; E491-R495 IonicContact OE2-NH2 3.49Å; E491-R495 PolarHBondContact OE2-NH2 2.83Å; E491-R495 VanDerWaalsContact OE2-NH2 3.11Å; E491-I545 HydrophobicContact CB-CG2 4.32Å; E491-I545 HydrophobicContact CG-CG2 3.72Å; E491-R549 IonicContact OE1-CZ 3.46Å; E491-R549 IonicContact OE1-NE 3.07Å; E491-R549 PolarHBondContact OE1-NE 2.98Å; E491-R549 VanDerWaalsContact OE1-NE 3.07Å; E491-R549 IonicContact OE1-NH2 2.96Å; E491-R549 PolarHBondContact OE1-NH2 3.41Å |
| 492 | A | 91.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.4 | -39 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F369 F373 Y488 I489 F490 R495 F496 | F369-A492 HydrophobicContact CE2-CB 4.21Å; F369-A492 HydrophobicContact CZ-CB 3.82Å; F373-A492 HydrophobicContact CD1-CB 4.17Å; F373-A492 HydrophobicContact CE1-CB 4.45Å; F373-A492 WeakPolarHBondContact CE1-O 3.47Å; Y488-A492 WeakPolarHBondContact O-CB 3.45Å; Y488-A492 PolarHBondContact O-N 2.86Å; I489-A492 PolarHBondContact O-N 3.11Å; F490-A492 PolarHBondContact O-N 3.31Å; A492-R495 PolarHBondContact O-N 3Å; A492-F496 WeakPolarHBondContact O-CB 3.39Å; A492-F496 PolarHBondContact O-N 3.14Å |
| 493 | V | 93.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.9 | -43.4 | 175.4 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | F369 V477 I480 L482 I489 F490 E491 R495 F496 V497 L517 | F369-V493 HydrophobicContact CZ-CG2 3.85Å; V477-V493 HydrophobicContact CG1-CG1 3.78Å; I480-V493 HydrophobicContact CB-CG2 4.48Å; I480-V493 HydrophobicContact CD1-CG2 4.06Å; I480-V493 HydrophobicContact CG2-CG2 3.99Å; L482-V493 HydrophobicContact CD2-CB 3.91Å; L482-V493 HydrophobicContact CD2-CG1 4.11Å; L482-V493 HydrophobicContact CD2-CG2 3.68Å; I489-V493 HydrophobicContact CG2-CG2 4.44Å; I489-V493 WeakPolarHBondContact O-CG2 3.4Å; I489-V493 PolarHBondContact O-N 2.83Å; F490-V493 PolarHBondContact O-N 3.45Å; E491-V493 VanDerWaalsContact C-N 3.27Å; E491-V493 PolarHBondContact O-N 2.88Å; V493-R495 PolarHBondContact O-N 3.17Å; V493-F496 PolarHBondContact O-N 2.84Å; V493-V497 HydrophobicContact CG1-CG2 4.42Å; V493-V497 VanDerWaalsContact O-CG2 3.3Å; V493-V497 WeakPolarHBondContact O-CG2 3.4Å; V493-V497 PolarHBondContact O-N 3.26Å; V493-L517 HydrophobicContact CG1-CD1 4.16Å; V493-L517 HydrophobicContact CG1-CD2 4.42Å |
| 494 | M | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -42.1 | 174.4 | -71.1 | -171.8 | -69.6 | 0 | 0 | 112.6 | F490 E491 F496 V497 Q498 L517 I546 R549 L553 | F490-M494 HydrophobicContact CD1-CE 3.67Å; F490-M494 HydrophobicContact CD1-SD 4.31Å; F490-M494 HydrophobicContact CE1-CE 3.7Å; F490-M494 HydrophobicContact CE1-CG 4.38Å; F490-M494 HydrophobicContact CE1-SD 3.79Å; F490-M494 HydrophobicContact CZ-SD 4.35Å; F490-M494 PolarHBondContact O-N 3.5Å; E491-M494 PolarHBondContact O-N 3.1Å; E491-M494 VanDerWaalsContact O-N 3.15Å; M494-F496 VanDerWaalsContact C-N 3.32Å; M494-V497 PolarHBondContact O-N 3.36Å; M494-Q498 WeakPolarHBondContact O-CB 3.42Å; M494-Q498 PolarHBondContact O-N 3.17Å; M494-L517 HydrophobicContact CG-CB 4.24Å; M494-L517 HydrophobicContact CG-CD1 4.39Å; M494-L517 HydrophobicContact CG-CD2 4.41Å; M494-I546 HydrophobicContact CE-CB 4.21Å; M494-I546 HydrophobicContact CE-CG1 4.24Å; M494-I546 HydrophobicContact CE-CG2 3.88Å; M494-R549 HydrophobicContact CB-CG 3.44Å; M494-R549 VanDerWaalsContact CB-CG 3.44Å; M494-R549 HydrophobicContact CE-CB 3.9Å; M494-R549 HydrophobicContact CE-CG 3.64Å; M494-R549 HydrophobicContact CG-CG 4.32Å; M494-R549 HydrophobicContact SD-CG 3.96Å; M494-L553 HydrophobicContact CB-CD2 4.48Å |
| 495 | R | 93.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.9 | -38.3 | 175.6 | -176.5 | 168.2 | 30.2 | 116.8 | 7.8 | 111.7 | F373 V420 E456 E491 A492 V493 Q498 L499 | F373-R495 HydrophobicContact CE1-CB 4.37Å; F373-R495 HydrophobicContact CE1-CG 4.4Å; F373-R495 HydrophobicContact CZ-CG 4.24Å; F373-R495 PolarHBondContact O-NH1 2.81Å; F373-R495 PolarHBondContact O-NH2 3.33Å; V420-R495 HydrophobicContact CB-CG 4.36Å; V420-R495 HydrophobicContact CG1-CG 3.89Å; V420-R495 HydrophobicContact CG2-CG 4.31Å; E456-R495 IonicContact OE1-CZ 3.7Å; E456-R495 IonicContact OE1-NH1 3.11Å; E456-R495 PolarHBondContact OE1-NH1 2.83Å; E491-R495 PolarHBondContact O-N 3.39Å; E491-R495 WeakPolarHBondContact OE1-CB 3.05Å; E491-R495 IonicContact OE1-NE 2.77Å; E491-R495 PolarHBondContact OE1-NE 2.96Å; E491-R495 IonicContact OE2-CZ 2.72Å; E491-R495 IonicContact OE2-NE 3.33Å; E491-R495 PolarHBondContact OE2-NE 2.83Å; E491-R495 IonicContact OE2-NH2 3.49Å; E491-R495 PolarHBondContact OE2-NH2 2.83Å; E491-R495 VanDerWaalsContact OE2-NH2 3.11Å; A492-R495 PolarHBondContact O-N 3Å; V493-R495 PolarHBondContact O-N 3.17Å; R495-Q498 WeakPolarHBondContact O-CB 3.17Å; R495-Q498 PolarHBondContact O-N 3.31Å; R495-L499 PolarHBondContact O-N 3.41Å; R495-L499 VanDerWaalsContact O-N 3.11Å |
| 496 | F | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.1 | -42.6 | 175.3 | -178.7 | -110.4 | 0 | 0 | 0 | 112.1 | F369 F373 F459 L473 V477 A492 V493 M494 Q498 L499 C500 W510 | F369-F496 HydrophobicContact CE2-CB 4.08Å; F369-F496 HydrophobicContact CE2-CG 4.33Å; F373-F496 HydrophobicContact CE1-CB 3.9Å; F373-F496 HydrophobicContact CZ-CB 3.98Å; F373-F496 HydrophobicContact CZ-CD2 4.19Å; F459-F496 HydrophobicContact CB-CE2 4.13Å; F459-F496 HydrophobicContact CD1-CD2 4.28Å; F459-F496 AromaticContact CD1-CE2 3.34Å; F459-F496 HydrophobicContact CD1-CE2 3.34Å; F459-F496 HydrophobicContact CD1-CZ 4Å; F459-F496 HydrophobicContact CD2-CD2 4.43Å; F459-F496 HydrophobicContact CD2-CE2 4.22Å; F459-F496 HydrophobicContact CE1-CD2 4.5Å; F459-F496 AromaticContact CE1-CE2 3.69Å; F459-F496 HydrophobicContact CE1-CE2 3.69Å; F459-F496 HydrophobicContact CE1-CZ 4.16Å; F459-F496 HydrophobicContact CG-CD2 4.27Å; F459-F496 AromaticContact CG-CE2 3.66Å; F459-F496 HydrophobicContact CG-CE2 3.66Å; F459-F496 HydrophobicContact CZ-CE2 4.29Å; L473-F496 HydrophobicContact CB-CE1 4.21Å; L473-F496 HydrophobicContact CB-CZ 3.85Å; L473-F496 HydrophobicContact CD1-CZ 3.95Å; L473-F496 HydrophobicContact CD2-CE2 4.46Å; L473-F496 HydrophobicContact CD2-CZ 3.77Å; L473-F496 HydrophobicContact CG-CZ 4.02Å; V477-F496 HydrophobicContact CG2-CD1 3.46Å; V477-F496 VanDerWaalsContact CG2-CD1 3.46Å; V477-F496 HydrophobicContact CG2-CE1 3.52Å; A492-F496 WeakPolarHBondContact O-CB 3.39Å; A492-F496 PolarHBondContact O-N 3.14Å; V493-F496 PolarHBondContact O-N 2.84Å; M494-F496 VanDerWaalsContact C-N 3.32Å; F496-Q498 VanDerWaalsContact C-N 3.34Å; F496-Q498 PolarHBondContact O-N 3.13Å; F496-L499 WeakPolarHBondContact O-CB 3.25Å; F496-L499 PolarHBondContact O-N 3.37Å; F496-C500 PolarHBondContact O-N 3.49Å; F496-C500 PolarHBondContact O-SG 3.33Å; F496-W510 HydrophobicContact CE1-CH2 4.3Å |
| 497 | V | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 172.9 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | V493 M494 L499 C500 L501 W510 L513 A514 L517 | V493-V497 HydrophobicContact CG1-CG2 4.42Å; V493-V497 VanDerWaalsContact O-CG2 3.3Å; V493-V497 WeakPolarHBondContact O-CG2 3.4Å; V493-V497 PolarHBondContact O-N 3.26Å; M494-V497 PolarHBondContact O-N 3.36Å; V497-L499 VanDerWaalsContact C-N 3.28Å; V497-L499 PolarHBondContact O-N 2.92Å; V497-C500 WeakPolarHBondContact O-CA 3.4Å; V497-C500 PolarHBondContact O-N 2.96Å; V497-L501 HydrophobicContact CG1-CD2 4.01Å; V497-L501 HydrophobicContact CG1-CG 4.13Å; V497-L501 WeakPolarHBondContact O-CG 3.23Å; V497-L501 PolarHBondContact O-N 2.95Å; V497-W510 HydrophobicContact CG2-CZ3 4.02Å; V497-L513 HydrophobicContact CG2-CD2 3.92Å; V497-L513 HydrophobicContact CG2-CG 4.38Å; V497-A514 HydrophobicContact CG1-CB 4.2Å; V497-L517 HydrophobicContact CB-CD1 4.26Å; V497-L517 HydrophobicContact CG1-CD1 4.48Å; V497-L517 HydrophobicContact CG2-CD1 3.68Å |
| 498 | Q | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -53.8 | -42.6 | 174.8 | -171.7 | 177.9 | -33.6 | 0 | 0 | 112.5 | W418 V420 D421 M494 R495 F496 C500 P502 L553 R556 | W418-Q498 PolarHBondContact O-NE2 3.18Å; V420-Q498 HydrophobicContact CG1-CB 4.43Å; V420-Q498 HydrophobicContact CG1-CG 4.22Å; D421-Q498 PolarHBondContact OD1-NE2 3.43Å; M494-Q498 WeakPolarHBondContact O-CB 3.42Å; M494-Q498 PolarHBondContact O-N 3.17Å; R495-Q498 WeakPolarHBondContact O-CB 3.17Å; R495-Q498 PolarHBondContact O-N 3.31Å; F496-Q498 VanDerWaalsContact C-N 3.34Å; F496-Q498 PolarHBondContact O-N 3.13Å; Q498-C500 VanDerWaalsContact C-N 3.28Å; Q498-C500 PolarHBondContact O-N 3.45Å; Q498-P502 WeakPolarHBondContact O-CD 3.41Å; Q498-L553 HydrophobicContact CB-CD1 3.97Å; Q498-L553 HydrophobicContact CG-CD1 4.36Å; Q498-R556 VanDerWaalsContact CG-CD 3.44Å; Q498-R556 VanDerWaalsContact NE2-CZ 3.26Å |
| 499 | L | 94.8 | Very high | 92 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65 | -29.4 | 174.9 | -76.8 | 173.7 | 0 | 0 | 0 | 113.5 | F373 V420 A424 E456 R495 F496 V497 Y503 | F373-L499 HydrophobicContact CE2-CD1 3.73Å; F373-L499 HydrophobicContact CZ-CD1 3.76Å; V420-L499 HydrophobicContact CB-CD2 4.3Å; V420-L499 HydrophobicContact CG1-CD2 3.85Å; V420-L499 HydrophobicContact CG1-CG 3.85Å; V420-L499 HydrophobicContact CG2-CD1 4.28Å; V420-L499 HydrophobicContact CG2-CD2 3.87Å; V420-L499 HydrophobicContact CG2-CG 4.17Å; A424-L499 HydrophobicContact CB-CD2 4.02Å; E456-L499 HydrophobicContact CB-CD1 4.13Å; E456-L499 HydrophobicContact CG-CD1 4.07Å; R495-L499 PolarHBondContact O-N 3.41Å; R495-L499 VanDerWaalsContact O-N 3.11Å; F496-L499 WeakPolarHBondContact O-CB 3.25Å; F496-L499 PolarHBondContact O-N 3.37Å; V497-L499 VanDerWaalsContact C-N 3.28Å; V497-L499 PolarHBondContact O-N 2.92Å; L499-Y503 WeakPolarHBondContact O-CE2 3.24Å |
| 500 | C | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -88.5 | -28.1 | -175.6 | -65.6 | 0 | 0 | 0 | 0 | 113.5 | F496 V497 Q498 P502 Y503 F504 W510 | F496-C500 PolarHBondContact O-N 3.49Å; F496-C500 PolarHBondContact O-SG 3.33Å; V497-C500 WeakPolarHBondContact O-CA 3.4Å; V497-C500 PolarHBondContact O-N 2.96Å; Q498-C500 VanDerWaalsContact C-N 3.28Å; Q498-C500 PolarHBondContact O-N 3.45Å; C500-P502 VanDerWaalsContact C-CD 3.45Å; C500-Y503 PolarHBondContact O-N 2.88Å; C500-F504 HydrophobicContact CB-CD2 4.04Å; C500-F504 PolarHBondContact O-N 3.23Å; C500-W510 HydrophobicContact CB-CE3 4.24Å; C500-W510 HydrophobicContact CB-CH2 3.85Å; C500-W510 HydrophobicContact CB-CZ2 4.45Å; C500-W510 HydrophobicContact CB-CZ3 3.72Å |
| 501 | L | 93.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -54.7 | -39 | -176.1 | -72.1 | -168 | 0 | 0 | 0 | 114.9 | V497 Y503 G505 A514 L553 R556 Q560 | V497-L501 HydrophobicContact CG1-CD2 4.01Å; V497-L501 HydrophobicContact CG1-CG 4.13Å; V497-L501 WeakPolarHBondContact O-CG 3.23Å; V497-L501 PolarHBondContact O-N 2.95Å; L501-Y503 PolarHBondContact O-N 3.26Å; L501-G505 VanDerWaalsContact O-CA 3.26Å; L501-G505 WeakPolarHBondContact O-CA 3.49Å; L501-G505 PolarHBondContact O-N 3.41Å; L501-A514 HydrophobicContact CD2-CB 4.24Å; L501-L553 HydrophobicContact CD1-CD1 3.62Å; L501-L553 HydrophobicContact CG-CD1 4.49Å; L501-R556 HydrophobicContact CD1-CB 4.44Å; L501-Q560 HydrophobicContact CB-CB 4.47Å; L501-Q560 VanDerWaalsContact CB-OE1 3.22Å |
| 502 | P | 91.9 | Very high | 92.5 | Very high | 57 Ų | 57 | 25.8 Ų | 25.8 | 37% | 0.37 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -58.9 | -21.2 | 176.4 | -26.2 | 34.8 | 0 | 0 | 0 | 114.6 | D421 Q498 C500 | D421-P502 HydrophobicContact CB-CG 4.37Å; Q498-P502 WeakPolarHBondContact O-CD 3.41Å; C500-P502 VanDerWaalsContact C-CD 3.45Å |
| 503 | Y | 92.3 | Very high | 92.5 | Very high | 60 Ų | 60 | 26.3 Ų | 26.3 | 24% | 0.235 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -108.9 | -36.2 | -177.3 | -48 | -72.5 | 0 | 0 | 0 | 112.8 | T460 C463 R464 L499 C500 L501 | T460-Y503 HydrophobicContact CG2-CE2 4.39Å; C463-Y503 HydrophobicContact CB-CD2 3.47Å; C463-Y503 VanDerWaalsContact CB-CD2 3.47Å; C463-Y503 HydrophobicContact CB-CE2 3.99Å; C463-Y503 HydrophobicContact CB-CG 3.85Å; R464-Y503 HydrophobicContact CB-CE1 4.46Å; R464-Y503 HydrophobicContact CG-CD1 3.97Å; R464-Y503 HydrophobicContact CG-CE1 3.21Å; R464-Y503 HydrophobicContact CG-CE2 4.46Å; R464-Y503 PolarHBondContact NE-OH 3.44Å; R464-Y503 PolarHBondContact NH2-OH 2.91Å; L499-Y503 WeakPolarHBondContact O-CE2 3.24Å; C500-Y503 PolarHBondContact O-N 2.88Å; L501-Y503 PolarHBondContact O-N 3.26Å |
| 504 | F | 93.2 | Very high | 92.5 | Very high | 13 Ų | 13 | 26.3 Ų | 26.3 | 6% | 0.057 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -117.1 | 2.1 | -172.9 | -50.4 | -41.1 | 0 | 0 | 0 | 114 | C463 A469 D470 L473 C500 T506 K507 W510 | C463-F504 HydrophobicContact CB-CE2 4.23Å; C463-F504 HydrophobicContact CB-CZ 4.12Å; A469-F504 HydrophobicContact CB-CZ 4.11Å; D470-F504 HydrophobicContact CB-CD1 4.2Å; D470-F504 HydrophobicContact CB-CE1 3.77Å; D470-F504 HydrophobicContact CB-CE2 4.29Å; D470-F504 HydrophobicContact CB-CZ 3.82Å; L473-F504 HydrophobicContact CD1-CE2 4.34Å; C500-F504 HydrophobicContact CB-CD2 4.04Å; C500-F504 PolarHBondContact O-N 3.23Å; F504-T506 PolarHBondContact O-N 3.05Å; F504-T506 VanDerWaalsContact O-N 3.07Å; F504-K507 HydrophobicContact CB-CD 4.44Å; F504-K507 HydrophobicContact CD1-CD 4.49Å; F504-K507 WeakPolarHBondContact O-CB 3.43Å; F504-K507 PolarHBondContact O-N 3.43Å; F504-W510 HydrophobicContact CB-CB 4.42Å; F504-W510 VanDerWaalsContact CB-CD1 3.41Å; F504-W510 HydrophobicContact CB-CD2 4.03Å; F504-W510 HydrophobicContact CB-CG 3.73Å; F504-W510 HydrophobicContact CD2-CD2 4.44Å; F504-W510 AromaticContact CD2-CE2 3.7Å; F504-W510 AromaticContact CD2-CZ2 3.78Å; F504-W510 HydrophobicContact CD2-CZ2 3.78Å; F504-W510 AromaticContact CD2-NE1 3.71Å; F504-W510 HydrophobicContact CE2-CZ2 4.37Å; F504-W510 AromaticContact CG-NE1 3.78Å; F504-W510 WeakPolarHBondContact O-CB 3.34Å |
| 505 | G | 89.6 | Confident | 92.5 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L501 K507 V511 Q560 C561 | L501-G505 VanDerWaalsContact O-CA 3.26Å; L501-G505 WeakPolarHBondContact O-CA 3.49Å; L501-G505 PolarHBondContact O-N 3.41Å; G505-K507 VanDerWaalsContact C-N 3.32Å; G505-V511 WeakPolarHBondContact O-CG2 3.41Å; G505-Q560 CarbonylContact C-O 3.47Å; G505-C561 VanDerWaalsContact O-CA 3.31Å; G505-C561 WeakPolarHBondContact O-CA 3.19Å |
| 506 | T | 88 | Confident | 92.4 | Very high | 75 Ų | 75 | 35.6 Ų | 35.6 | 46% | 0.46 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -8 | 174.1 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | F504 P564 | F504-T506 PolarHBondContact O-N 3.05Å; F504-T506 VanDerWaalsContact O-N 3.07Å; T506-P564 VanDerWaalsContact O-CD 3.25Å; T506-P564 WeakPolarHBondContact O-CD 3.39Å |
| 507 | K | 90.6 | Very high | 92.4 | Very high | 60 Ų | 60 | 35.8 Ų | 35.8 | 26% | 0.261 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -92 | 129.5 | -174 | -58.9 | -167 | -177.5 | 171.7 | 0 | 111.1 | D470 F504 G505 Y509 W510 V511 | D470-K507 VanDerWaalsContact CB-NZ 3.32Å; D470-K507 IonicContact OD1-NZ 3.38Å; D470-K507 IonicContact OD2-NZ 3.41Å; D470-K507 PolarHBondContact OD2-NZ 2.84Å; F504-K507 HydrophobicContact CB-CD 4.44Å; F504-K507 HydrophobicContact CD1-CD 4.49Å; F504-K507 WeakPolarHBondContact O-CB 3.43Å; F504-K507 PolarHBondContact O-N 3.43Å; G505-K507 VanDerWaalsContact C-N 3.32Å; K507-Y509 VanDerWaalsContact C-N 3.32Å; K507-Y509 HydrophobicContact CB-CD1 4.41Å; K507-Y509 HydrophobicContact CB-CE1 3.8Å; K507-Y509 HydrophobicContact CD-CE1 4.19Å; K507-Y509 WeakPolarHBondContact CD-OH 3.31Å; K507-Y509 PolarHBondContact O-N 2.57Å; K507-Y509 VanDerWaalsContact O-N 3.11Å; K507-W510 PolarHBondContact O-N 3.37Å; K507-V511 WeakPolarHBondContact O-CG2 3.24Å; K507-V511 PolarHBondContact O-N 2.93Å |
| 508 | P | 89.4 | Confident | 92.3 | Very high | 95 Ų | 95 | 36.2 Ų | 36.2 | 62% | 0.617 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -53.4 | -41.2 | -170.2 | -29.5 | 34.3 | 0 | 0 | 0 | 115.3 | V511 T512 | P508-V511 WeakPolarHBondContact O-CB 3.49Å; P508-V511 PolarHBondContact O-N 3.3Å; P508-T512 PolarHBondContact O-N 2.96Å; P508-T512 PolarHBondContact O-OG1 2.88Å; P508-T512 VanDerWaalsContact O-OG1 3.04Å |
| 509 | Y | 91.5 | Very high | 92.2 | Very high | 74 Ų | 74 | 38.5 Ų | 38.5 | 29% | 0.29 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -74.8 | -26.9 | -177.5 | 53.7 | -88.3 | 0 | 0 | 0 | 113.5 | D470 Y474 K507 L513 | D470-Y509 WeakPolarHBondContact OD1-CE2 3.09Å; D470-Y509 PolarHBondContact OD1-OH 3.42Å; D470-Y509 PolarHBondContact OD2-OH 3.3Å; Y474-Y509 HydrophobicContact CD1-CD2 4.24Å; Y474-Y509 AromaticContact CD2-CD2 3.55Å; Y474-Y509 HydrophobicContact CD2-CD2 3.55Å; Y474-Y509 AromaticContact CD2-CE2 3.96Å; Y474-Y509 HydrophobicContact CD2-CE2 3.96Å; Y474-Y509 HydrophobicContact CE1-CD2 4.18Å; Y474-Y509 AromaticContact CE2-CD2 3.49Å; Y474-Y509 HydrophobicContact CE2-CD2 3.49Å; Y474-Y509 VanDerWaalsContact CE2-CD2 3.49Å; Y474-Y509 HydrophobicContact CE2-CE2 4.36Å; Y474-Y509 HydrophobicContact CE2-CG 4.33Å; Y474-Y509 AromaticContact CG-CD2 3.92Å; Y474-Y509 HydrophobicContact CG-CD2 3.92Å; Y474-Y509 HydrophobicContact CG-CE2 4.07Å; Y474-Y509 AromaticContact CZ-CD2 3.8Å; K507-Y509 VanDerWaalsContact C-N 3.32Å; K507-Y509 HydrophobicContact CB-CD1 4.41Å; K507-Y509 HydrophobicContact CB-CE1 3.8Å; K507-Y509 HydrophobicContact CD-CE1 4.19Å; K507-Y509 WeakPolarHBondContact CD-OH 3.31Å; K507-Y509 PolarHBondContact O-N 2.57Å; K507-Y509 VanDerWaalsContact O-N 3.11Å; Y509-L513 WeakPolarHBondContact O-CB 3.47Å; Y509-L513 PolarHBondContact O-N 3.11Å |
| 510 | W | 92.7 | Very high | 92 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -74.5 | -38.2 | 170.4 | -79.2 | 101.1 | 0 | 0 | 0 | 111.1 | D470 L473 Y474 F496 V497 C500 F504 K507 L513 A514 | D470-W510 PolarHBondContact OD1-NE1 3.33Å; L473-W510 HydrophobicContact CB-CZ2 4.4Å; Y474-W510 HydrophobicContact CD2-CD2 4.24Å; Y474-W510 AromaticContact CD2-CE2 3.95Å; Y474-W510 HydrophobicContact CD2-CZ2 4.15Å; F496-W510 HydrophobicContact CE1-CH2 4.3Å; V497-W510 HydrophobicContact CG2-CZ3 4.02Å; C500-W510 HydrophobicContact CB-CE3 4.24Å; C500-W510 HydrophobicContact CB-CH2 3.85Å; C500-W510 HydrophobicContact CB-CZ2 4.45Å; C500-W510 HydrophobicContact CB-CZ3 3.72Å; F504-W510 HydrophobicContact CB-CB 4.42Å; F504-W510 VanDerWaalsContact CB-CD1 3.41Å; F504-W510 HydrophobicContact CB-CD2 4.03Å; F504-W510 HydrophobicContact CB-CG 3.73Å; F504-W510 HydrophobicContact CD2-CD2 4.44Å; F504-W510 AromaticContact CD2-CE2 3.7Å; F504-W510 AromaticContact CD2-CZ2 3.78Å; F504-W510 HydrophobicContact CD2-CZ2 3.78Å; F504-W510 AromaticContact CD2-NE1 3.71Å; F504-W510 HydrophobicContact CE2-CZ2 4.37Å; F504-W510 AromaticContact CG-NE1 3.78Å; F504-W510 WeakPolarHBondContact O-CB 3.34Å; K507-W510 PolarHBondContact O-N 3.37Å; W510-L513 HydrophobicContact CE3-CD2 4.01Å; W510-L513 HydrophobicContact CZ3-CD2 4.12Å; W510-L513 PolarHBondContact O-N 3.01Å; W510-A514 WeakPolarHBondContact O-CB 3.4Å; W510-A514 PolarHBondContact O-N 3.16Å |
| 511 | V | 90.7 | Very high | 91.7 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 13% | 0.127 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.9 | -54.4 | 172.7 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | G505 K507 P508 L513 A514 E515 Y557 C561 | G505-V511 WeakPolarHBondContact O-CG2 3.41Å; K507-V511 WeakPolarHBondContact O-CG2 3.24Å; K507-V511 PolarHBondContact O-N 2.93Å; P508-V511 WeakPolarHBondContact O-CB 3.49Å; P508-V511 PolarHBondContact O-N 3.3Å; V511-L513 VanDerWaalsContact C-N 3.3Å; V511-L513 PolarHBondContact O-N 2.86Å; V511-A514 PolarHBondContact O-N 3.39Å; V511-A514 VanDerWaalsContact O-N 3.14Å; V511-E515 HydrophobicContact CG1-CG 4.42Å; V511-E515 WeakPolarHBondContact O-CG 3.47Å; V511-E515 PolarHBondContact O-N 3.44Å; V511-Y557 HydrophobicContact CG1-CE2 4.06Å; V511-C561 HydrophobicContact CG1-CB 4.37Å; V511-C561 HydrophobicContact CG2-CB 4.03Å |
| 512 | T | 91.9 | Very high | 91.5 | Very high | 79 Ų | 79 | 42.5 Ų | 42.5 | 49% | 0.485 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.3 | -38.8 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 112.5 | P508 Q516 | P508-T512 PolarHBondContact O-N 2.96Å; P508-T512 PolarHBondContact O-OG1 2.88Å; P508-T512 VanDerWaalsContact O-OG1 3.04Å; T512-Q516 WeakPolarHBondContact O-CB 3.03Å; T512-Q516 PolarHBondContact O-N 3.36Å |
| 513 | L | 92.7 | Very high | 91.3 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63 | -46.6 | 175.2 | 174.3 | 65.2 | 0 | 0 | 0 | 111.4 | Y474 V477 V497 Y509 W510 V511 Q516 L517 | Y474-L513 HydrophobicContact CD2-CD2 4.28Å; Y474-L513 HydrophobicContact CE2-CB 4.39Å; Y474-L513 HydrophobicContact CE2-CD2 3.9Å; V477-L513 HydrophobicContact CG1-CD1 4.29Å; V477-L513 HydrophobicContact CG1-CD2 3.86Å; V497-L513 HydrophobicContact CG2-CD2 3.92Å; V497-L513 HydrophobicContact CG2-CG 4.38Å; Y509-L513 WeakPolarHBondContact O-CB 3.47Å; Y509-L513 PolarHBondContact O-N 3.11Å; W510-L513 HydrophobicContact CE3-CD2 4.01Å; W510-L513 HydrophobicContact CZ3-CD2 4.12Å; W510-L513 PolarHBondContact O-N 3.01Å; V511-L513 VanDerWaalsContact C-N 3.3Å; V511-L513 PolarHBondContact O-N 2.86Å; L513-Q516 PolarHBondContact O-N 3.05Å; L513-L517 HydrophobicContact CD1-CD1 4.1Å; L513-L517 HydrophobicContact CD1-CG 4.25Å; L513-L517 HydrophobicContact CG-CD1 4.08Å; L513-L517 WeakPolarHBondContact O-CB 3.5Å; L513-L517 VanDerWaalsContact O-CG 3.26Å; L513-L517 WeakPolarHBondContact O-CG 3.39Å; L513-L517 PolarHBondContact O-N 3.26Å |
| 514 | A | 93.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V497 L501 W510 V511 Q516 L517 I518 Y557 | V497-A514 HydrophobicContact CG1-CB 4.2Å; L501-A514 HydrophobicContact CD2-CB 4.24Å; W510-A514 WeakPolarHBondContact O-CB 3.4Å; W510-A514 PolarHBondContact O-N 3.16Å; V511-A514 PolarHBondContact O-N 3.39Å; V511-A514 VanDerWaalsContact O-N 3.14Å; A514-Q516 VanDerWaalsContact C-N 3.34Å; A514-Q516 PolarHBondContact O-N 3.06Å; A514-L517 PolarHBondContact O-N 2.71Å; A514-I518 WeakPolarHBondContact O-CB 3.3Å; A514-I518 WeakPolarHBondContact O-CG1 3.46Å; A514-I518 PolarHBondContact O-N 2.96Å; A514-Y557 HydrophobicContact CB-CD2 4.03Å |
| 515 | E | 92.6 | Very high | 89.8 | Confident | 86 Ų | 86 | 42.4 Ų | 42.4 | 40% | 0.402 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.6 | -47.5 | 173.7 | -74.3 | 175.3 | 158.2 | 0 | 0 | 111.6 | V511 I518 A519 Y557 | V511-E515 HydrophobicContact CG1-CG 4.42Å; V511-E515 WeakPolarHBondContact O-CG 3.47Å; V511-E515 PolarHBondContact O-N 3.44Å; E515-I518 PolarHBondContact O-N 3.47Å; E515-A519 WeakPolarHBondContact O-CB 3.45Å; E515-A519 PolarHBondContact O-N 3.04Å; E515-Y557 HydrophobicContact CG-CE2 3.5Å; E515-Y557 VanDerWaalsContact CG-OH 3.3Å; E515-Y557 WeakPolarHBondContact CG-OH 3.48Å; E515-Y557 PolarHBondContact OE1-OH 3.21Å |
| 516 | Q | 92.9 | Very high | 89.2 | Confident | 112 Ų | 112 | 44.8 Ų | 44.8 | 52% | 0.523 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.9 | -47.4 | 178.8 | -176.6 | -179.4 | -7.9 | 0 | 0 | 111.6 | T512 L513 A514 I518 A519 D520 | T512-Q516 WeakPolarHBondContact O-CB 3.03Å; T512-Q516 PolarHBondContact O-N 3.36Å; L513-Q516 PolarHBondContact O-N 3.05Å; A514-Q516 VanDerWaalsContact C-N 3.34Å; A514-Q516 PolarHBondContact O-N 3.06Å; Q516-I518 VanDerWaalsContact C-N 3.31Å; Q516-I518 PolarHBondContact O-N 3.33Å; Q516-A519 PolarHBondContact O-N 3.32Å; Q516-D520 WeakPolarHBondContact O-CB 3.5Å; Q516-D520 VanDerWaalsContact O-CG 3.31Å; Q516-D520 PolarHBondContact O-N 2.89Å |
| 517 | L | 93.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -39.7 | 178.8 | -70.5 | 172.5 | 0 | 0 | 0 | 112 | L482 F490 V493 M494 V497 L513 A514 G521 | L482-L517 HydrophobicContact CD1-CD2 4.35Å; F490-L517 HydrophobicContact CD2-CD2 4.28Å; F490-L517 HydrophobicContact CE2-CD2 3.47Å; F490-L517 VanDerWaalsContact CE2-CD2 3.47Å; F490-L517 HydrophobicContact CZ-CD2 3.88Å; V493-L517 HydrophobicContact CG1-CD1 4.16Å; V493-L517 HydrophobicContact CG1-CD2 4.42Å; M494-L517 HydrophobicContact CG-CB 4.24Å; M494-L517 HydrophobicContact CG-CD1 4.39Å; M494-L517 HydrophobicContact CG-CD2 4.41Å; V497-L517 HydrophobicContact CB-CD1 4.26Å; V497-L517 HydrophobicContact CG1-CD1 4.48Å; V497-L517 HydrophobicContact CG2-CD1 3.68Å; L513-L517 HydrophobicContact CD1-CD1 4.1Å; L513-L517 HydrophobicContact CD1-CG 4.25Å; L513-L517 HydrophobicContact CG-CD1 4.08Å; L513-L517 WeakPolarHBondContact O-CB 3.5Å; L513-L517 VanDerWaalsContact O-CG 3.26Å; L513-L517 WeakPolarHBondContact O-CG 3.39Å; L513-L517 PolarHBondContact O-N 3.26Å; A514-L517 PolarHBondContact O-N 2.71Å; L517-G521 PolarHBondContact O-N 3.08Å |
| 518 | I | 94 | Very high | 87.7 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.5 | -46.6 | 175.3 | -71.1 | 166.7 | 0 | 0 | 0 | 110.2 | A514 E515 Q516 D520 G521 L522 T550 L553 L554 Y557 | A514-I518 WeakPolarHBondContact O-CB 3.3Å; A514-I518 WeakPolarHBondContact O-CG1 3.46Å; A514-I518 PolarHBondContact O-N 2.96Å; E515-I518 PolarHBondContact O-N 3.47Å; Q516-I518 VanDerWaalsContact C-N 3.31Å; Q516-I518 PolarHBondContact O-N 3.33Å; I518-D520 PolarHBondContact O-N 3.45Å; I518-G521 PolarHBondContact O-N 2.88Å; I518-L522 HydrophobicContact CG2-CD1 3.78Å; I518-L522 HydrophobicContact CG2-CG 4.18Å; I518-L522 WeakPolarHBondContact O-CB 3.39Å; I518-L522 VanDerWaalsContact O-CG 3.24Å; I518-L522 WeakPolarHBondContact O-CG 3.46Å; I518-L522 PolarHBondContact O-N 3.45Å; I518-T550 HydrophobicContact CG2-CG2 4.31Å; I518-L553 HydrophobicContact CD1-CD2 4.44Å; I518-L553 HydrophobicContact CD1-CG 4.21Å; I518-L553 HydrophobicContact CG1-CD2 3.98Å; I518-L553 HydrophobicContact CG1-CG 4.16Å; I518-L554 HydrophobicContact CD1-CD1 4.45Å; I518-L554 HydrophobicContact CG2-CD1 3.96Å; I518-Y557 VanDerWaalsContact CD1-CB 3.48Å; I518-Y557 HydrophobicContact CD1-CD1 4.01Å; I518-Y557 HydrophobicContact CD1-CD2 4.17Å; I518-Y557 HydrophobicContact CD1-CG 3.6Å |
| 519 | A | 92.5 | Very high | 86.5 | Confident | 49 Ų | 49 | 39.4 Ų | 39.4 | 41% | 0.405 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | E515 Q516 G521 L522 V523 | E515-A519 WeakPolarHBondContact O-CB 3.45Å; E515-A519 PolarHBondContact O-N 3.04Å; Q516-A519 PolarHBondContact O-N 3.32Å; A519-G521 PolarHBondContact O-N 2.86Å; A519-L522 PolarHBondContact O-N 3.04Å; A519-V523 WeakPolarHBondContact O-CG2 3.26Å; A519-V523 PolarHBondContact O-N 3.3Å |
| 520 | D | 90.6 | Very high | 85.2 | Confident | 69 Ų | 69 | 42.4 Ų | 42.4 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.6 | -43 | 177.2 | -71.4 | -19.2 | 0 | 0 | 0 | 111.4 | F490 Q516 I518 V523 V524 | F490-D520 HydrophobicContact CZ-CB 3.93Å; Q516-D520 WeakPolarHBondContact O-CB 3.5Å; Q516-D520 VanDerWaalsContact O-CG 3.31Å; Q516-D520 PolarHBondContact O-N 2.89Å; I518-D520 PolarHBondContact O-N 3.45Å; D520-V523 WeakPolarHBondContact O-CB 3.34Å; D520-V523 PolarHBondContact O-N 3.23Å; D520-V524 WeakPolarHBondContact O-CG2 3.27Å; D520-V524 PolarHBondContact O-N 3.01Å |
| 521 | G | 90 | Very high | 83.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L517 I518 A519 V524 G525 T550 | L517-G521 PolarHBondContact O-N 3.08Å; I518-G521 PolarHBondContact O-N 2.88Å; A519-G521 PolarHBondContact O-N 2.86Å; G521-V524 WeakPolarHBondContact O-CB 3.32Å; G521-V524 PolarHBondContact O-N 2.97Å; G521-G525 PolarHBondContact O-N 3.26Å; G521-T550 WeakPolarHBondContact CA-OG1 3.16Å |
| 522 | L | 89.1 | Confident | 82.3 | Confident | 19 Ų | 19 | 48.8 Ų | 48.8 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.7 | -33.9 | 174.6 | -73.3 | 174.6 | 0 | 0 | 0 | 111.8 | I518 A519 V524 G525 N526 T550 | I518-L522 HydrophobicContact CG2-CD1 3.78Å; I518-L522 HydrophobicContact CG2-CG 4.18Å; I518-L522 WeakPolarHBondContact O-CB 3.39Å; I518-L522 VanDerWaalsContact O-CG 3.24Å; I518-L522 WeakPolarHBondContact O-CG 3.46Å; I518-L522 PolarHBondContact O-N 3.45Å; A519-L522 PolarHBondContact O-N 3.04Å; L522-V524 VanDerWaalsContact C-N 3.35Å; L522-G525 CarbonylContact O-C 3.58Å; L522-G525 PolarHBondContact O-N 2.86Å; L522-N526 WeakPolarHBondContact O-CB 3.49Å; L522-N526 VanDerWaalsContact O-CG 3.27Å; L522-N526 PolarHBondContact O-N 3.28Å; L522-N526 PolarHBondContact O-ND2 3.29Å; L522-T550 HydrophobicContact CD2-CG2 4.14Å; L522-T550 HydrophobicContact CG-CG2 3.99Å |
| 523 | V | 87.4 | Confident | 80.6 | Confident | 93 Ų | 93 | 48.3 Ų | 48.3 | 56% | 0.564 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 170.9 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | A519 D520 G525 N526 S527 | A519-V523 WeakPolarHBondContact O-CG2 3.26Å; A519-V523 PolarHBondContact O-N 3.3Å; D520-V523 WeakPolarHBondContact O-CB 3.34Å; D520-V523 PolarHBondContact O-N 3.23Å; V523-G525 VanDerWaalsContact C-N 3.32Å; V523-G525 PolarHBondContact O-N 3.35Å; V523-N526 PolarHBondContact O-N 3.06Å; V523-S527 PolarHBondContact O-N 3.11Å |
| 524 | V | 80.8 | Confident | 78.8 | Confident | 35 Ų | 35 | 51.9 Ų | 51.9 | 21% | 0.212 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.3 | -48 | 171.8 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | D520 G521 L522 N526 S527 I528 I546 | D520-V524 WeakPolarHBondContact O-CG2 3.27Å; D520-V524 PolarHBondContact O-N 3.01Å; G521-V524 WeakPolarHBondContact O-CB 3.32Å; G521-V524 PolarHBondContact O-N 2.97Å; L522-V524 VanDerWaalsContact C-N 3.35Å; V524-N526 PolarHBondContact O-N 2.8Å; V524-S527 WeakPolarHBondContact O-CB 3.38Å; V524-S527 PolarHBondContact O-N 3.44Å; V524-S527 VanDerWaalsContact O-N 3.15Å; V524-S527 PolarHBondContact O-OG 2.92Å; V524-I528 HydrophobicContact CG1-CD1 4.37Å; V524-I528 WeakPolarHBondContact O-CG1 3.45Å; V524-I528 PolarHBondContact O-N 2.91Å; V524-I546 HydrophobicContact CB-CG2 4.18Å; V524-I546 HydrophobicContact CG1-CB 4.43Å; V524-I546 HydrophobicContact CG1-CG2 4.16Å; V524-I546 HydrophobicContact CG2-CG2 4.29Å |
| 525 | G | 73.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G521 L522 V523 I528 Q529 | G521-G525 PolarHBondContact O-N 3.26Å; L522-G525 CarbonylContact O-C 3.58Å; L522-G525 PolarHBondContact O-N 2.86Å; V523-G525 VanDerWaalsContact C-N 3.32Å; V523-G525 PolarHBondContact O-N 3.35Å; G525-I528 PolarHBondContact O-N 2.94Å; G525-Q529 PolarHBondContact O-N 3.15Å; G525-Q529 VanDerWaalsContact O-N 3.1Å |
| 526 | N | 76.2 | Confident | 74.8 | Confident | 52 Ų | 52 | 59.5 Ų | 59.5 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 173.6 | -73 | -36.5 | 0 | 0 | 0 | 110.8 | L522 V523 V524 I528 Q529 D530 R585 | L522-N526 WeakPolarHBondContact O-CB 3.49Å; L522-N526 VanDerWaalsContact O-CG 3.27Å; L522-N526 PolarHBondContact O-N 3.28Å; L522-N526 PolarHBondContact O-ND2 3.29Å; V523-N526 PolarHBondContact O-N 3.06Å; V524-N526 PolarHBondContact O-N 2.8Å; N526-I528 VanDerWaalsContact C-N 3.32Å; N526-I528 PolarHBondContact O-N 3.36Å; N526-Q529 WeakPolarHBondContact O-CA 3.46Å; N526-Q529 WeakPolarHBondContact O-CB 3.44Å; N526-Q529 PolarHBondContact O-N 3.1Å; N526-D530 PolarHBondContact O-N 3.21Å; N526-D530 VanDerWaalsContact O-N 3.17Å; N526-R585 VanDerWaalsContact OD1-CZ 3.3Å; N526-R585 PolarHBondContact OD1-NH1 3.3Å; N526-R585 PolarHBondContact OD1-NH2 3.49Å |
| 527 | S | 77 | Confident | 72.8 | Confident | 37 Ų | 37 | 54.8 Ų | 54.8 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 177.7 | 80.4 | 0 | 0 | 0 | 0 | 112.8 | V523 V524 Q529 D530 R531 | V523-S527 PolarHBondContact O-N 3.11Å; V524-S527 WeakPolarHBondContact O-CB 3.38Å; V524-S527 PolarHBondContact O-N 3.44Å; V524-S527 VanDerWaalsContact O-N 3.15Å; V524-S527 PolarHBondContact O-OG 2.92Å; S527-Q529 VanDerWaalsContact C-N 3.31Å; S527-D530 PolarHBondContact O-N 2.89Å; S527-R531 WeakPolarHBondContact O-CB 3.25Å; S527-R531 VanDerWaalsContact O-CG 3.28Å; S527-R531 WeakPolarHBondContact O-CG 3.46Å; S527-R531 PolarHBondContact O-N 2.84Å |
| 528 | I | 71.2 | Confident | 70.9 | Confident | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 170.9 | -62.3 | 168.6 | 0 | 0 | 0 | 108.5 | V524 G525 N526 D530 R531 M532 V544 L547 | V524-I528 HydrophobicContact CG1-CD1 4.37Å; V524-I528 WeakPolarHBondContact O-CG1 3.45Å; V524-I528 PolarHBondContact O-N 2.91Å; G525-I528 PolarHBondContact O-N 2.94Å; N526-I528 VanDerWaalsContact C-N 3.32Å; N526-I528 PolarHBondContact O-N 3.36Å; I528-D530 VanDerWaalsContact C-N 3.32Å; I528-D530 PolarHBondContact O-N 2.81Å; I528-R531 PolarHBondContact O-N 3.08Å; I528-R531 VanDerWaalsContact O-N 3.16Å; I528-M532 HydrophobicContact CG2-CE 3.21Å; I528-M532 HydrophobicContact CG2-CG 4.49Å; I528-M532 VanDerWaalsContact O-CB 3.27Å; I528-M532 WeakPolarHBondContact O-CB 3.18Å; I528-M532 PolarHBondContact O-N 3.43Å; I528-V544 HydrophobicContact CD1-CG2 4.36Å; I528-L547 HydrophobicContact CD1-CB 4.43Å; I528-L547 HydrophobicContact CD1-CD2 4.27Å |
| 529 | Q | 62.8 | Low | 69.4 | Low | 76 Ų | 76 | 69.4 Ų | 69.4 | 36% | 0.355 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -54.7 | -44.3 | 179.2 | -170.5 | 167.6 | -31.7 | 0 | 0 | 113.7 | G525 N526 S527 R531 R585 R589 | G525-Q529 PolarHBondContact O-N 3.15Å; G525-Q529 VanDerWaalsContact O-N 3.1Å; N526-Q529 WeakPolarHBondContact O-CA 3.46Å; N526-Q529 WeakPolarHBondContact O-CB 3.44Å; N526-Q529 PolarHBondContact O-N 3.1Å; S527-Q529 VanDerWaalsContact C-N 3.31Å; Q529-R531 VanDerWaalsContact C-N 3.33Å; Q529-R585 VanDerWaalsContact OE1-CZ 3.28Å; Q529-R585 VanDerWaalsContact OE1-NE 3.08Å; Q529-R589 VanDerWaalsContact CB-NH2 3.25Å; Q529-R589 VanDerWaalsContact CD-NH2 3.31Å |
| 530 | D | 64 | Low | 68.5 | Low | 137 Ų | 137 | 67.8 Ų | 67.8 | 73% | 0.733 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -74.6 | -23.9 | -177 | -63.8 | -25.2 | 0 | 0 | 0 | 112.8 | N526 S527 I528 | N526-D530 PolarHBondContact O-N 3.21Å; N526-D530 VanDerWaalsContact O-N 3.17Å; S527-D530 PolarHBondContact O-N 2.89Å; I528-D530 VanDerWaalsContact C-N 3.32Å; I528-D530 PolarHBondContact O-N 2.81Å |
| 531 | R | 65.7 | Low | 68.1 | Low | 135 Ų | 135 | 66.4 Ų | 66.4 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -97.3 | -26.6 | -173.6 | -69.9 | 179.8 | -167.7 | -171 | 6 | 114.5 | S527 I528 Q529 G533 S534 | S527-R531 WeakPolarHBondContact O-CB 3.25Å; S527-R531 VanDerWaalsContact O-CG 3.28Å; S527-R531 WeakPolarHBondContact O-CG 3.46Å; S527-R531 PolarHBondContact O-N 2.84Å; I528-R531 PolarHBondContact O-N 3.08Å; I528-R531 VanDerWaalsContact O-N 3.16Å; Q529-R531 VanDerWaalsContact C-N 3.33Å; R531-G533 VanDerWaalsContact C-N 3.28Å; R531-G533 PolarHBondContact O-N 3.07Å; R531-S534 PolarHBondContact O-N 3.19Å; R531-S534 PolarHBondContact O-OG 3.21Å |
| 532 | M | 58 | Low | 67.7 | Low | 19 Ų | 19 | 67.6 Ų | 67.6 | 9% | 0.094 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 86.6 | -172.6 | -138.3 | -157 | -80.7 | 0 | 0 | 109 | I528 M537 W593 M603 I606 | I528-M532 HydrophobicContact CG2-CE 3.21Å; I528-M532 HydrophobicContact CG2-CG 4.49Å; I528-M532 VanDerWaalsContact O-CB 3.27Å; I528-M532 WeakPolarHBondContact O-CB 3.18Å; I528-M532 PolarHBondContact O-N 3.43Å; M532-M537 HydrophobicContact CB-CE 4.15Å; M532-M537 HydrophobicContact CG-CE 3.37Å; M532-M537 HydrophobicContact CG-SD 4.49Å; M532-W593 HydrophobicContact CB-CH2 3.44Å; M532-W593 VanDerWaalsContact CB-CH2 3.44Å; M532-W593 HydrophobicContact CB-CZ2 4.42Å; M532-W593 HydrophobicContact CB-CZ3 4.08Å; M532-W593 HydrophobicContact CG-CH2 3.23Å; M532-W593 HydrophobicContact CG-CZ2 4.29Å; M532-W593 HydrophobicContact CG-CZ3 3.48Å; M532-W593 VanDerWaalsContact CG-CZ3 3.48Å; M532-W593 WeakPolarHBondContact O-CH2 3.21Å; M532-W593 HydrophobicContact SD-CE3 4.4Å; M532-W593 HydrophobicContact SD-CH2 3.12Å; M532-W593 WeakPolarHBondContact SD-CH2 3.43Å; M532-W593 HydrophobicContact SD-CZ2 3.68Å; M532-W593 HydrophobicContact SD-CZ3 3.5Å; M532-W593 VanDerWaalsContact SD-CZ3 3.5Å; M532-M603 HydrophobicContact CE-CE 3.32Å; M532-M603 HydrophobicContact SD-CE 3.38Å; M532-M603 WeakPolarHBondContact SD-CE 3.46Å; M532-I606 HydrophobicContact CE-CD1 4.13Å |
| 533 | G | 55.8 | Low | 67.5 | Low | 69 Ų | 69 | 68.1 Ų | 68.1 | 71% | 0.711 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 150.9 | -17 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R531 | R531-G533 VanDerWaalsContact C-N 3.28Å; R531-G533 PolarHBondContact O-N 3.07Å |
| 534 | S | 54.5 | Low | 67.5 | Low | 86 Ų | 86 | 63.7 Ų | 63.7 | 60% | 0.601 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | -15.1 | -168.9 | 62.8 | 0 | 0 | 0 | 0 | 117.6 | R531 | R531-S534 PolarHBondContact O-N 3.19Å; R531-S534 PolarHBondContact O-OG 3.21Å |
| 535 | Q | 51.2 | Low | 67.9 | Low | 122 Ų | 122 | 62.2 Ų | 62.2 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -143.1 | 158.6 | -172.4 | -70.6 | -167.7 | -0.9 | 0 | 0 | 114.6 | ||
| 536 | P | 51.7 | Low | 68.7 | Low | 123 Ų | 123 | 62.8 Ų | 62.8 | 80% | 0.799 | 35% | 0.348 | S | S | * | . | trans | -68.4 | 143.4 | 175.4 | 25.9 | -32.4 | 0 | 0 | 0 | 113.3 | ||||
| 537 | M | 51.1 | Low | 69.4 | Low | 13 Ų | 13 | 60.3 Ų | 60.3 | 6% | 0.064 | 34% | 0.335 | C | S | . | . | trans | -106.9 | -1.1 | -147 | -77.9 | -106.3 | 165.4 | 0 | 0 | 117.4 | M532 N539 E540 F598 Q599 L602 | M532-M537 HydrophobicContact CB-CE 4.15Å; M532-M537 HydrophobicContact CG-CE 3.37Å; M532-M537 HydrophobicContact CG-SD 4.49Å; M537-N539 PolarHBondContact O-N 2.73Å; M537-N539 VanDerWaalsContact O-N 3.14Å; M537-E540 WeakPolarHBondContact CE-OE2 3.42Å; M537-E540 WeakPolarHBondContact O-CB 3.39Å; M537-E540 PolarHBondContact O-N 2.98Å; M537-E540 HydrophobicContact SD-CB 4.41Å; M537-E540 HydrophobicContact SD-CG 4.17Å; M537-F598 HydrophobicContact CB-CD1 3.94Å; M537-F598 HydrophobicContact CB-CE1 3.9Å; M537-Q599 HydrophobicContact CE-CG 3.77Å; M537-Q599 HydrophobicContact CG-CG 4.01Å; M537-Q599 HydrophobicContact SD-CG 3.64Å; M537-L602 HydrophobicContact SD-CD1 4.06Å | ||
| 538 | E | 53.2 | Low | 70.1 | Confident | 173 Ų | 173 | 58.6 Ų | 58.6 | 81% | 0.808 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -29.3 | -176.6 | -73.7 | -178.3 | 170.6 | 0 | 0 | 113 | E540 | E538-E540 PolarHBondContact O-N 3.38Š|
| 539 | N | 61.5 | Low | 71.1 | Confident | 147 Ų | 147 | 58.4 Ų | 58.4 | 79% | 0.786 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -5 | 176.2 | -72.1 | -22.9 | 0 | 0 | 0 | 114.1 | M537 | M537-N539 PolarHBondContact O-N 2.73Å; M537-N539 VanDerWaalsContact O-N 3.14Å |
| 540 | E | 74.5 | Confident | 72.6 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -92.9 | -18.5 | -175 | -63.9 | -163 | -175.3 | 0 | 0 | 114.7 | M537 E538 T542 S543 V544 L602 | M537-E540 WeakPolarHBondContact CE-OE2 3.42Å; M537-E540 WeakPolarHBondContact O-CB 3.39Å; M537-E540 PolarHBondContact O-N 2.98Å; M537-E540 HydrophobicContact SD-CB 4.41Å; M537-E540 HydrophobicContact SD-CG 4.17Å; E538-E540 PolarHBondContact O-N 3.38Å; E540-T542 PolarHBondContact O-N 2.79Å; E540-S543 WeakPolarHBondContact O-CB 3.39Å; E540-S543 PolarHBondContact O-N 3.49Å; E540-V544 WeakPolarHBondContact O-CG2 3.33Å; E540-V544 PolarHBondContact O-N 2.96Å; E540-L602 HydrophobicContact CB-CD1 4.16Å |
| 541 | I | 80.9 | Confident | 74.1 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 21% | 0.205 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -48.2 | -52.4 | 178.2 | -70.6 | 176.7 | 0 | 0 | 0 | 109.9 | T384 S543 V544 I545 F598 L602 | T384-I541 HydrophobicContact CG2-CB 4.45Å; T384-I541 HydrophobicContact CG2-CG2 3.89Å; I541-S543 PolarHBondContact O-N 2.85Å; I541-V544 WeakPolarHBondContact O-CB 3.36Å; I541-V544 PolarHBondContact O-N 2.84Å; I541-I545 WeakPolarHBondContact O-CG1 3.3Å; I541-I545 PolarHBondContact O-N 3.26Å; I541-F598 HydrophobicContact CD1-CZ 4.09Å; I541-F598 HydrophobicContact CG1-CZ 3.81Å; I541-L602 HydrophobicContact CG1-CD2 4.5Å |
| 542 | T | 81.4 | Confident | 75.4 | Confident | 25 Ų | 25 | 41.8 Ų | 41.8 | 15% | 0.153 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.2 | -43.6 | -178.8 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | P487 Y488 E540 V544 I545 I546 | P487-T542 HydrophobicContact CB-CG2 3.02Å; P487-T542 HydrophobicContact CG-CG2 3.04Å; Y488-T542 HydrophobicContact CE1-CG2 4.47Å; E540-T542 PolarHBondContact O-N 2.79Å; T542-V544 VanDerWaalsContact C-N 3.29Å; T542-V544 PolarHBondContact O-N 3.03Å; T542-I545 PolarHBondContact O-N 3.34Å; T542-I546 HydrophobicContact CG2-CD1 4.31Å; T542-I546 WeakPolarHBondContact O-CG1 3.22Å; T542-I546 PolarHBondContact O-N 2.81Å |
| 543 | S | 85.2 | Confident | 77.2 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.5 | -37.5 | 178.1 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | E540 I541 I546 L547 | E540-S543 WeakPolarHBondContact O-CB 3.39Å; E540-S543 PolarHBondContact O-N 3.49Å; I541-S543 PolarHBondContact O-N 2.85Å; S543-I546 PolarHBondContact O-N 3.21Å; S543-L547 WeakPolarHBondContact O-CB 3.31Å; S543-L547 PolarHBondContact O-N 3.16Å |
| 544 | V | 87.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.6 | -42.9 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | T384 I528 E540 I541 T542 I546 L547 T548 L602 C605 I606 | T384-V544 HydrophobicContact CG2-CG1 4.24Å; I528-V544 HydrophobicContact CD1-CG2 4.36Å; E540-V544 WeakPolarHBondContact O-CG2 3.33Å; E540-V544 PolarHBondContact O-N 2.96Å; I541-V544 WeakPolarHBondContact O-CB 3.36Å; I541-V544 PolarHBondContact O-N 2.84Å; T542-V544 VanDerWaalsContact C-N 3.29Å; T542-V544 PolarHBondContact O-N 3.03Å; V544-I546 VanDerWaalsContact C-N 3.33Å; V544-I546 PolarHBondContact O-N 3.23Å; V544-L547 PolarHBondContact O-N 3.48Å; V544-T548 HydrophobicContact CG1-CG2 4.18Å; V544-T548 WeakPolarHBondContact O-CB 3.16Å; V544-T548 WeakPolarHBondContact O-CG2 3.4Å; V544-T548 PolarHBondContact O-N 3.13Å; V544-T548 PolarHBondContact O-OG1 3.06Å; V544-T548 VanDerWaalsContact O-OG1 3.13Å; V544-L602 HydrophobicContact CB-CD2 4.3Å; V544-L602 HydrophobicContact CG1-CD2 4.37Å; V544-L602 HydrophobicContact CG2-CB 4.11Å; V544-L602 HydrophobicContact CG2-CD1 4.45Å; V544-L602 HydrophobicContact CG2-CD2 4.01Å; V544-L602 HydrophobicContact CG2-CG 4.41Å; V544-C605 HydrophobicContact CG1-CB 4.05Å; V544-I606 HydrophobicContact CG1-CG1 4Å; V544-I606 HydrophobicContact CG2-CD1 4.21Å |
| 545 | I | 89 | Confident | 81 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 174.9 | -66.9 | -65.8 | 0 | 0 | 0 | 111.1 | L380 F383 T384 F417 E491 I541 T542 L547 T548 R549 | L380-I545 HydrophobicContact CD2-CB 4.38Å; L380-I545 HydrophobicContact CD2-CD1 4.17Å; L380-I545 HydrophobicContact CD2-CG1 3.91Å; L380-I545 HydrophobicContact CD2-CG2 3.81Å; F383-I545 HydrophobicContact CB-CD1 3.81Å; F383-I545 HydrophobicContact CD2-CD1 4.14Å; F383-I545 HydrophobicContact CG-CD1 4.47Å; T384-I545 HydrophobicContact CG2-CD1 4.02Å; T384-I545 HydrophobicContact CG2-CG1 4.15Å; F417-I545 HydrophobicContact CZ-CG2 4.13Å; E491-I545 HydrophobicContact CB-CG2 4.32Å; E491-I545 HydrophobicContact CG-CG2 3.72Å; I541-I545 WeakPolarHBondContact O-CG1 3.3Å; I541-I545 PolarHBondContact O-N 3.26Å; T542-I545 PolarHBondContact O-N 3.34Å; I545-L547 PolarHBondContact O-N 3.49Å; I545-T548 WeakPolarHBondContact CA-OG1 3.5Å; I545-T548 PolarHBondContact O-N 3.01Å; I545-T548 PolarHBondContact O-OG1 3.19Å; I545-R549 WeakPolarHBondContact O-CB 3.42Å; I545-R549 PolarHBondContact O-N 2.73Å |
| 546 | I | 90 | Very high | 83 | Confident | 11 Ų | 11 | 27.9 Ų | 27.9 | 6% | 0.056 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.8 | -46.4 | 175 | -71.6 | 171.8 | 0 | 0 | 0 | 110.7 | P487 F490 M494 V524 T542 S543 V544 R549 T550 | P487-I546 HydrophobicContact CB-CD1 3.88Å; F490-I546 HydrophobicContact CD1-CD1 3.85Å; F490-I546 HydrophobicContact CD1-CG1 3.97Å; F490-I546 HydrophobicContact CD1-CG2 3.96Å; F490-I546 HydrophobicContact CE1-CG2 3.79Å; M494-I546 HydrophobicContact CE-CB 4.21Å; M494-I546 HydrophobicContact CE-CG1 4.24Å; M494-I546 HydrophobicContact CE-CG2 3.88Å; V524-I546 HydrophobicContact CB-CG2 4.18Å; V524-I546 HydrophobicContact CG1-CB 4.43Å; V524-I546 HydrophobicContact CG1-CG2 4.16Å; V524-I546 HydrophobicContact CG2-CG2 4.29Å; T542-I546 HydrophobicContact CG2-CD1 4.31Å; T542-I546 WeakPolarHBondContact O-CG1 3.22Å; T542-I546 PolarHBondContact O-N 2.81Å; S543-I546 PolarHBondContact O-N 3.21Å; V544-I546 VanDerWaalsContact C-N 3.33Å; V544-I546 PolarHBondContact O-N 3.23Å; I546-R549 PolarHBondContact O-N 3.48Å; I546-T550 WeakPolarHBondContact O-CB 3.47Å; I546-T550 PolarHBondContact O-N 2.84Å; I546-T550 PolarHBondContact O-OG1 3.09Å |
| 547 | L | 90.3 | Very high | 85 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | -179.9 | 179.6 | 58.2 | 0 | 0 | 0 | 112.4 | I528 S543 V544 I545 R549 T550 L551 F586 I606 | I528-L547 HydrophobicContact CD1-CB 4.43Å; I528-L547 HydrophobicContact CD1-CD2 4.27Å; S543-L547 WeakPolarHBondContact O-CB 3.31Å; S543-L547 PolarHBondContact O-N 3.16Å; V544-L547 PolarHBondContact O-N 3.48Å; I545-L547 PolarHBondContact O-N 3.49Å; L547-R549 VanDerWaalsContact C-N 3.33Å; L547-R549 PolarHBondContact O-N 3.48Å; L547-T550 WeakPolarHBondContact O-CA 3.39Å; L547-T550 WeakPolarHBondContact O-CB 3.44Å; L547-T550 PolarHBondContact O-N 3.39Å; L547-T550 VanDerWaalsContact O-N 3.11Å; L547-L551 HydrophobicContact CD1-CG 4.36Å; L547-L551 HydrophobicContact CG-CD1 4.44Å; L547-L551 WeakPolarHBondContact O-CG 3.48Å; L547-L551 PolarHBondContact O-N 3.18Å; L547-F586 HydrophobicContact CD1-CE1 4.36Å; L547-F586 HydrophobicContact CD1-CE2 4.21Å; L547-F586 HydrophobicContact CD1-CZ 3.88Å; L547-F586 HydrophobicContact CD2-CD1 4.31Å; L547-F586 HydrophobicContact CD2-CE1 3.78Å; L547-F586 HydrophobicContact CD2-CZ 4.15Å; L547-I606 HydrophobicContact CD2-CD1 3.73Å; L547-I606 HydrophobicContact CD2-CG1 3.94Å; L547-I606 HydrophobicContact CD2-CG2 3.85Å; L547-I606 HydrophobicContact CG-CG2 4.44Å |
| 548 | T | 92 | Very high | 87 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.3 | -38.7 | 178.9 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | V544 I545 L551 S552 I606 A609 | V544-T548 HydrophobicContact CG1-CG2 4.18Å; V544-T548 WeakPolarHBondContact O-CB 3.16Å; V544-T548 WeakPolarHBondContact O-CG2 3.4Å; V544-T548 PolarHBondContact O-N 3.13Å; V544-T548 PolarHBondContact O-OG1 3.06Å; V544-T548 VanDerWaalsContact O-OG1 3.13Å; I545-T548 WeakPolarHBondContact CA-OG1 3.5Å; I545-T548 PolarHBondContact O-N 3.01Å; I545-T548 PolarHBondContact O-OG1 3.19Å; T548-L551 PolarHBondContact O-N 3.24Å; T548-S552 PolarHBondContact O-N 3.42Å; T548-S552 PolarHBondContact O-OG 3.41Å; T548-I606 HydrophobicContact CG2-CG1 4.43Å; T548-A609 HydrophobicContact CG2-CB 3.76Å |
| 549 | R | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 169.8 | 175.7 | 59 | 66.6 | -150.3 | -7.2 | 111.9 | F417 E491 M494 I545 I546 L547 L551 S552 L553 | F417-R549 HydrophobicContact CZ-CB 4.35Å; F417-R549 PolarHBondContact O-NH1 3.06Å; F417-R549 PolarHBondContact O-NH2 3.41Å; E491-R549 IonicContact OE1-CZ 3.46Å; E491-R549 IonicContact OE1-NE 3.07Å; E491-R549 PolarHBondContact OE1-NE 2.98Å; E491-R549 VanDerWaalsContact OE1-NE 3.07Å; E491-R549 IonicContact OE1-NH2 2.96Å; E491-R549 PolarHBondContact OE1-NH2 3.41Å; M494-R549 HydrophobicContact CB-CG 3.44Å; M494-R549 VanDerWaalsContact CB-CG 3.44Å; M494-R549 HydrophobicContact CE-CB 3.9Å; M494-R549 HydrophobicContact CE-CG 3.64Å; M494-R549 HydrophobicContact CG-CG 4.32Å; M494-R549 HydrophobicContact SD-CG 3.96Å; I545-R549 WeakPolarHBondContact O-CB 3.42Å; I545-R549 PolarHBondContact O-N 2.73Å; I546-R549 PolarHBondContact O-N 3.48Å; L547-R549 VanDerWaalsContact C-N 3.33Å; L547-R549 PolarHBondContact O-N 3.48Å; R549-L551 VanDerWaalsContact C-N 3.34Å; R549-L551 PolarHBondContact O-N 3.22Å; R549-S552 WeakPolarHBondContact O-CB 3.43Å; R549-S552 PolarHBondContact O-N 2.98Å; R549-L553 WeakPolarHBondContact O-CB 3.26Å; R549-L553 PolarHBondContact O-N 3.1Å |
| 550 | T | 94.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60 | -45.8 | 176.4 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | I518 G521 L522 I546 L547 S552 L553 L554 | I518-T550 HydrophobicContact CG2-CG2 4.31Å; G521-T550 WeakPolarHBondContact CA-OG1 3.16Å; L522-T550 HydrophobicContact CD2-CG2 4.14Å; L522-T550 HydrophobicContact CG-CG2 3.99Å; I546-T550 WeakPolarHBondContact O-CB 3.47Å; I546-T550 PolarHBondContact O-N 2.84Å; I546-T550 PolarHBondContact O-OG1 3.09Å; L547-T550 WeakPolarHBondContact O-CA 3.39Å; L547-T550 WeakPolarHBondContact O-CB 3.44Å; L547-T550 PolarHBondContact O-N 3.39Å; L547-T550 VanDerWaalsContact O-N 3.11Å; T550-S552 VanDerWaalsContact C-N 3.3Å; T550-S552 PolarHBondContact O-N 3.36Å; T550-L553 PolarHBondContact O-N 3.03Å; T550-L554 VanDerWaalsContact O-CB 3.31Å; T550-L554 WeakPolarHBondContact O-CB 3.27Å; T550-L554 PolarHBondContact O-N 3.39Å |
| 551 | L | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.2 | -37.8 | 175.7 | -69.2 | 174.7 | 0 | 0 | 0 | 112 | L547 T548 R549 P555 F586 I606 A609 A610 S613 | L547-L551 HydrophobicContact CD1-CG 4.36Å; L547-L551 HydrophobicContact CG-CD1 4.44Å; L547-L551 WeakPolarHBondContact O-CG 3.48Å; L547-L551 PolarHBondContact O-N 3.18Å; T548-L551 PolarHBondContact O-N 3.24Å; R549-L551 VanDerWaalsContact C-N 3.34Å; R549-L551 PolarHBondContact O-N 3.22Å; L551-P555 WeakPolarHBondContact O-CD 3.28Å; L551-F586 HydrophobicContact CD1-CB 4.41Å; L551-F586 HydrophobicContact CD1-CD2 4.25Å; L551-F586 HydrophobicContact CD1-CG 4.35Å; L551-F586 HydrophobicContact CD2-CD2 3.61Å; L551-F586 HydrophobicContact CD2-CE2 4Å; L551-F586 HydrophobicContact CD2-CG 4.47Å; L551-F586 HydrophobicContact CG-CD2 4.47Å; L551-I606 HydrophobicContact CD1-CG2 4Å; L551-A609 HydrophobicContact CD1-CB 4.27Å; L551-A610 HydrophobicContact CD1-CB 4.22Å; L551-S613 VanDerWaalsContact C-OG 3.25Å; L551-S613 WeakPolarHBondContact O-CB 3.47Å; L551-S613 PolarHBondContact O-OG 2.91Å |
| 552 | S | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -68.6 | -40 | 175.5 | -56.1 | 0 | 0 | 0 | 0 | 112 | T548 R549 T550 R556 | T548-S552 PolarHBondContact O-N 3.42Å; T548-S552 PolarHBondContact O-OG 3.41Å; R549-S552 WeakPolarHBondContact O-CB 3.43Å; R549-S552 PolarHBondContact O-N 2.98Å; T550-S552 VanDerWaalsContact C-N 3.3Å; T550-S552 PolarHBondContact O-N 3.36Å; S552-R556 PolarHBondContact O-NH1 3.37Å |
| 553 | L | 95.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -71.4 | -31.8 | -179.7 | -175.3 | 60.4 | 0 | 0 | 0 | 112.1 | M494 Q498 L501 I518 R549 T550 R556 Y557 | M494-L553 HydrophobicContact CB-CD2 4.48Å; Q498-L553 HydrophobicContact CB-CD1 3.97Å; Q498-L553 HydrophobicContact CG-CD1 4.36Å; L501-L553 HydrophobicContact CD1-CD1 3.62Å; L501-L553 HydrophobicContact CG-CD1 4.49Å; I518-L553 HydrophobicContact CD1-CD2 4.44Å; I518-L553 HydrophobicContact CD1-CG 4.21Å; I518-L553 HydrophobicContact CG1-CD2 3.98Å; I518-L553 HydrophobicContact CG1-CG 4.16Å; R549-L553 WeakPolarHBondContact O-CB 3.26Å; R549-L553 PolarHBondContact O-N 3.1Å; T550-L553 PolarHBondContact O-N 3.03Å; L553-R556 WeakPolarHBondContact O-CB 3.46Å; L553-R556 PolarHBondContact O-N 2.66Å; L553-Y557 WeakPolarHBondContact O-CB 3.45Å; L553-Y557 PolarHBondContact O-N 3.35Å |
| 554 | L | 95 | Very high | 89.4 | Confident | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.2 | -53.1 | -173.7 | 178.2 | 67.6 | 0 | 0 | 0 | 114 | I518 T550 R556 Y557 S558 A579 H582 | I518-L554 HydrophobicContact CD1-CD1 4.45Å; I518-L554 HydrophobicContact CG2-CD1 3.96Å; T550-L554 VanDerWaalsContact O-CB 3.31Å; T550-L554 WeakPolarHBondContact O-CB 3.27Å; T550-L554 PolarHBondContact O-N 3.39Å; L554-R556 VanDerWaalsContact C-N 3.26Å; L554-R556 PolarHBondContact O-N 3.35Å; L554-Y557 WeakPolarHBondContact O-CB 3.47Å; L554-Y557 PolarHBondContact O-N 3.23Å; L554-S558 PolarHBondContact O-N 2.98Å; L554-S558 PolarHBondContact O-OG 3.4Å; L554-S558 VanDerWaalsContact O-OG 3.11Å; L554-A579 HydrophobicContact CD1-CB 4.4Å; L554-A579 HydrophobicContact CD2-CB 4.17Å; L554-A579 HydrophobicContact CG-CB 3.83Å; L554-H582 HydrophobicContact CD2-CB 3.66Å |
| 555 | P | 93.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.1 | -37.4 | 173.5 | -23.6 | 30.2 | 0 | 0 | 0 | 113.4 | L551 S558 V559 I583 W616 L617 | L551-P555 WeakPolarHBondContact O-CD 3.28Å; P555-S558 PolarHBondContact O-N 3.31Å; P555-V559 WeakPolarHBondContact O-CG2 3.25Å; P555-V559 PolarHBondContact O-N 3.49Å; P555-I583 HydrophobicContact CG-CD1 4.3Å; P555-W616 HydrophobicContact CB-CE3 3.54Å; P555-W616 HydrophobicContact CB-CZ3 3.67Å; P555-L617 HydrophobicContact CB-CB 4.44Å; P555-L617 HydrophobicContact CB-CD1 4.26Å |
| 556 | R | 93.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.4 | -43 | -179.2 | -70.1 | 167.9 | 175.6 | 81.6 | 0.7 | 110.7 | W418 N419 D421 Q498 L501 S552 L553 L554 V559 Q560 W616 | W418-R556 PolarHBondContact O-NH1 3.45Å; W418-R556 PolarHBondContact O-NH2 2.87Å; N419-R556 PolarHBondContact OD1-NH2 2.88Å; D421-R556 VanDerWaalsContact CG-NE 3.3Å; D421-R556 IonicContact OD1-CZ 2.64Å; D421-R556 IonicContact OD1-NE 3.88Å; D421-R556 PolarHBondContact OD1-NE 2.92Å; D421-R556 IonicContact OD1-NH2 3.51Å; D421-R556 PolarHBondContact OD1-NH2 3.39Å; D421-R556 IonicContact OD2-NE 2.7Å; D421-R556 PolarHBondContact OD2-NE 3.08Å; Q498-R556 VanDerWaalsContact CG-CD 3.44Å; Q498-R556 VanDerWaalsContact NE2-CZ 3.26Å; L501-R556 HydrophobicContact CD1-CB 4.44Å; S552-R556 PolarHBondContact O-NH1 3.37Å; L553-R556 WeakPolarHBondContact O-CB 3.46Å; L553-R556 PolarHBondContact O-N 2.66Å; L554-R556 VanDerWaalsContact C-N 3.26Å; L554-R556 PolarHBondContact O-N 3.35Å; R556-V559 PolarHBondContact O-N 3.42Å; R556-Q560 WeakPolarHBondContact O-CA 3.05Å; R556-Q560 WeakPolarHBondContact O-CB 3.26Å; R556-Q560 WeakPolarHBondContact O-CG 3.22Å; R556-Q560 PolarHBondContact O-N 2.95Å; R556-W616 HydrophobicContact CB-CH2 4.35Å; R556-W616 HydrophobicContact CG-CH2 3.7Å; R556-W616 HydrophobicContact CG-CZ2 3.65Å; R556-W616 HydrophobicContact CG-CZ3 4.18Å |
| 557 | Y | 93.9 | Very high | 85.8 | Confident | 25 Ų | 25 | 25.2 Ų | 25.2 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56 | -50.6 | 168.4 | 166.3 | -96.1 | 0 | 0 | 0 | 110.9 | V511 A514 E515 I518 L553 L554 V559 C561 | V511-Y557 HydrophobicContact CG1-CE2 4.06Å; A514-Y557 HydrophobicContact CB-CD2 4.03Å; E515-Y557 HydrophobicContact CG-CE2 3.5Å; E515-Y557 VanDerWaalsContact CG-OH 3.3Å; E515-Y557 WeakPolarHBondContact CG-OH 3.48Å; E515-Y557 PolarHBondContact OE1-OH 3.21Å; I518-Y557 VanDerWaalsContact CD1-CB 3.48Å; I518-Y557 HydrophobicContact CD1-CD1 4.01Å; I518-Y557 HydrophobicContact CD1-CD2 4.17Å; I518-Y557 HydrophobicContact CD1-CG 3.6Å; L553-Y557 WeakPolarHBondContact O-CB 3.45Å; L553-Y557 PolarHBondContact O-N 3.35Å; L554-Y557 WeakPolarHBondContact O-CB 3.47Å; L554-Y557 PolarHBondContact O-N 3.23Å; Y557-V559 VanDerWaalsContact C-N 3.26Å; Y557-V559 PolarHBondContact O-N 3.49Å; Y557-C561 HydrophobicContact CD2-CB 3.61Å; Y557-C561 HydrophobicContact CE2-CB 3.72Å; Y557-C561 HydrophobicContact CG-CB 4.38Å; Y557-C561 WeakPolarHBondContact O-CA 3.46Å; Y557-C561 WeakPolarHBondContact O-CB 3.24Å; Y557-C561 PolarHBondContact O-N 3.31Å |
| 558 | S | 92.5 | Very high | 84.4 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -35.2 | -177 | -59.6 | 0 | 0 | 0 | 0 | 113.8 | L554 P555 L572 N575 A579 | L554-S558 PolarHBondContact O-N 2.98Å; L554-S558 PolarHBondContact O-OG 3.4Å; L554-S558 VanDerWaalsContact O-OG 3.11Å; P555-S558 PolarHBondContact O-N 3.31Å; S558-L572 VanDerWaalsContact O-CD1 3.29Å; S558-L572 WeakPolarHBondContact O-CD1 3.13Å; S558-N575 PolarHBondContact OG-O 3.13Å; S558-A579 WeakPolarHBondContact OG-CB 3.49Å |
| 559 | V | 91 | Very high | 83.2 | Confident | 18 Ų | 18 | 37.8 Ų | 37.8 | 11% | 0.109 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -91.9 | -39.5 | -177.5 | 171.2 | 0 | 0 | 0 | 0 | 113.1 | P555 R556 Y557 I562 L572 W616 L617 V620 V622 | P555-V559 WeakPolarHBondContact O-CG2 3.25Å; P555-V559 PolarHBondContact O-N 3.49Å; R556-V559 PolarHBondContact O-N 3.42Å; Y557-V559 VanDerWaalsContact C-N 3.26Å; Y557-V559 PolarHBondContact O-N 3.49Å; V559-I562 VanDerWaalsContact O-CD1 3.26Å; V559-I562 WeakPolarHBondContact O-CD1 3.19Å; V559-L572 HydrophobicContact CG2-CD1 4.43Å; V559-W616 HydrophobicContact CB-CH2 4.13Å; V559-W616 HydrophobicContact CB-CZ3 4.25Å; V559-W616 HydrophobicContact CG1-CH2 4.34Å; V559-W616 HydrophobicContact CG2-CH2 4.35Å; V559-W616 HydrophobicContact CG2-CZ3 3.99Å; V559-L617 HydrophobicContact CG2-CD1 3.84Å; V559-V620 HydrophobicContact CG1-CG1 3.78Å; V559-V620 HydrophobicContact CG2-CG1 4.28Å; V559-V622 HydrophobicContact CG1-CG2 3.9Å |
| 560 | Q | 90.5 | Very high | 82.4 | Confident | 41 Ų | 41 | 41.7 Ų | 41.7 | 19% | 0.192 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -97.8 | -22.1 | -169.6 | -56.7 | 173.4 | -9.2 | 0 | 0 | 112.8 | L501 G505 R556 I562 | L501-Q560 HydrophobicContact CB-CB 4.47Å; L501-Q560 VanDerWaalsContact CB-OE1 3.22Å; G505-Q560 CarbonylContact C-O 3.47Å; R556-Q560 WeakPolarHBondContact O-CA 3.05Å; R556-Q560 WeakPolarHBondContact O-CB 3.26Å; R556-Q560 WeakPolarHBondContact O-CG 3.22Å; R556-Q560 PolarHBondContact O-N 2.95Å; Q560-I562 PolarHBondContact O-N 3.49Å |
| 561 | C | 88.2 | Confident | 81.8 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | trans | -93.2 | 62.6 | 177.7 | -64.2 | 0 | 0 | 0 | 0 | 112.1 | G505 V511 Y557 | G505-C561 VanDerWaalsContact O-CA 3.31Å; G505-C561 WeakPolarHBondContact O-CA 3.19Å; V511-C561 HydrophobicContact CG1-CB 4.37Å; V511-C561 HydrophobicContact CG2-CB 4.03Å; Y557-C561 HydrophobicContact CD2-CB 3.61Å; Y557-C561 HydrophobicContact CE2-CB 3.72Å; Y557-C561 HydrophobicContact CG-CB 4.38Å; Y557-C561 WeakPolarHBondContact O-CA 3.46Å; Y557-C561 WeakPolarHBondContact O-CB 3.24Å; Y557-C561 PolarHBondContact O-N 3.31Å | ||
| 562 | I | 80.5 | Confident | 81.4 | Confident | 30 Ų | 30 | 43 Ų | 43 | 15% | 0.154 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -98 | 126.3 | 175.1 | -59 | 165.9 | 0 | 0 | 0 | 108.8 | V559 Q560 D566 F569 L572 | V559-I562 VanDerWaalsContact O-CD1 3.26Å; V559-I562 WeakPolarHBondContact O-CD1 3.19Å; Q560-I562 PolarHBondContact O-N 3.49Å; I562-D566 HydrophobicContact CG2-CB 3.77Å; I562-F569 HydrophobicContact CD1-CD1 3.83Å; I562-F569 HydrophobicContact CD1-CE1 4.03Å; I562-L572 HydrophobicContact CD1-CD1 4.35Å |
| 563 | P | 73.1 | Confident | 81.1 | Confident | 66 Ų | 66 | 47.7 Ų | 47.7 | 43% | 0.429 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 139.9 | 177.4 | -22.6 | 32.2 | 0 | 0 | 0 | 112.1 | G565 D566 S571 | P563-G565 PolarHBondContact O-N 3.42Å; P563-G565 VanDerWaalsContact O-N 3.17Å; P563-D566 PolarHBondContact O-N 2.88Å; P563-S571 WeakPolarHBondContact CD-OG 3.49Å |
| 564 | P | 65.4 | Low | 80.8 | Confident | 105 Ų | 105 | 51 Ų | 51 | 68% | 0.682 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 120.9 | 175.2 | 23.8 | -31.3 | 0 | 0 | 0 | 109.8 | T506 | T506-P564 VanDerWaalsContact O-CD 3.25Å; T506-P564 WeakPolarHBondContact O-CD 3.39Å |
| 565 | G | 64.7 | Low | 80.6 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 74% | 0.742 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.7 | 4.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | P563 V567 | P563-G565 PolarHBondContact O-N 3.42Å; P563-G565 VanDerWaalsContact O-N 3.17Å; G565-V567 VanDerWaalsContact C-N 3.29Å; G565-V567 WeakPolarHBondContact O-CG2 3.41Å; G565-V567 PolarHBondContact O-N 3.25Å |
| 566 | D | 65.8 | Low | 80.5 | Confident | 31 Ų | 31 | 52.4 Ų | 52.4 | 17% | 0.166 | 31% | 0.306 | C | S | . | . | trans | -73.8 | 81.4 | 170.1 | -169.6 | 9.8 | 0 | 0 | 0 | 110.9 | I562 P563 E568 F569 S570 S571 | I562-D566 HydrophobicContact CG2-CB 3.77Å; P563-D566 PolarHBondContact O-N 2.88Å; D566-E568 PolarHBondContact O-N 3.34Å; D566-E568 VanDerWaalsContact O-N 3.14Å; D566-F569 PolarHBondContact O-N 2.88Å; D566-F569 PolarHBondContact OD1-N 3.03Å; D566-F569 WeakPolarHBondContact OD2-CA 3.46Å; D566-S570 VanDerWaalsContact CG-OG 3.28Å; D566-S570 VanDerWaalsContact OD1-CB 3.29Å; D566-S570 WeakPolarHBondContact OD1-CB 3.45Å; D566-S570 PolarHBondContact OD1-N 3.46Å; D566-S570 PolarHBondContact OD1-OG 2.88Å; D566-S570 PolarHBondContact OD2-N 3.36Å; D566-S570 PolarHBondContact OD2-OG 3.22Å; D566-S571 PolarHBondContact OD2-N 3.08Å; D566-S571 PolarHBondContact OD2-OG 3.09Å; D566-S571 VanDerWaalsContact OD2-OG 3.13Å | ||
| 567 | V | 59 | Low | 80.5 | Confident | 135 Ų | 135 | 55.2 Ų | 55.2 | 82% | 0.818 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -22.6 | -172.9 | -174.8 | 0 | 0 | 0 | 0 | 112.7 | G565 | G565-V567 VanDerWaalsContact C-N 3.29Å; G565-V567 WeakPolarHBondContact O-CG2 3.41Å; G565-V567 PolarHBondContact O-N 3.25Å |
| 568 | E | 61.9 | Low | 80.5 | Confident | 165 Ų | 165 | 57.7 Ų | 57.7 | 77% | 0.771 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | 12.3 | -174.2 | -65.7 | -172.4 | 169.6 | 0 | 0 | 113.9 | D566 S570 | D566-E568 PolarHBondContact O-N 3.34Å; D566-E568 VanDerWaalsContact O-N 3.14Å; E568-S570 PolarHBondContact O-N 3.5Å |
| 569 | F | 67 | Low | 80.5 | Confident | 101 Ų | 101 | 57.7 Ų | 57.7 | 44% | 0.443 | 34% | 0.336 | S | S | . | . | trans | 53.4 | 34.8 | -172 | -61.4 | -87.7 | 0 | 0 | 0 | 111.9 | I562 D566 S571 L572 | I562-F569 HydrophobicContact CD1-CD1 3.83Å; I562-F569 HydrophobicContact CD1-CE1 4.03Å; D566-F569 PolarHBondContact O-N 2.88Å; D566-F569 PolarHBondContact OD1-N 3.03Å; D566-F569 WeakPolarHBondContact OD2-CA 3.46Å; F569-S571 PolarHBondContact O-N 3.3Å; F569-L572 HydrophobicContact CB-CB 3.77Å; F569-L572 HydrophobicContact CB-CD2 3.95Å; F569-L572 HydrophobicContact CD1-CB 4.38Å; F569-L572 HydrophobicContact CD1-CD2 3.78Å; F569-L572 HydrophobicContact CG-CD2 4.12Å; F569-L572 VanDerWaalsContact O-CB 3.29Å; F569-L572 WeakPolarHBondContact O-CB 3.24Å; F569-L572 PolarHBondContact O-N 2.99Å | ||
| 570 | S | 76.3 | Confident | 80.7 | Confident | 81 Ų | 81 | 56.8 Ų | 56.8 | 57% | 0.566 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -29.7 | -177.3 | 66.8 | 0 | 0 | 0 | 0 | 112.9 | D566 E568 P574 | D566-S570 VanDerWaalsContact CG-OG 3.28Å; D566-S570 VanDerWaalsContact OD1-CB 3.29Å; D566-S570 WeakPolarHBondContact OD1-CB 3.45Å; D566-S570 PolarHBondContact OD1-N 3.46Å; D566-S570 PolarHBondContact OD1-OG 2.88Å; D566-S570 PolarHBondContact OD2-N 3.36Å; D566-S570 PolarHBondContact OD2-OG 3.22Å; E568-S570 PolarHBondContact O-N 3.5Å; S570-P574 WeakPolarHBondContact O-CD 3.28Å; S570-P574 WeakPolarHBondContact O-CG 3.5Å |
| 571 | S | 81.5 | Confident | 80.8 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 16% | 0.161 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -24.1 | 173.6 | 71.7 | 0 | 0 | 0 | 0 | 113.2 | P563 D566 F569 P574 N575 | P563-S571 WeakPolarHBondContact CD-OG 3.49Å; D566-S571 PolarHBondContact OD2-N 3.08Å; D566-S571 PolarHBondContact OD2-OG 3.09Å; D566-S571 VanDerWaalsContact OD2-OG 3.13Å; F569-S571 PolarHBondContact O-N 3.3Å; S571-P574 VanDerWaalsContact O-CD 3.31Å; S571-P574 WeakPolarHBondContact O-CD 3.39Å; S571-P574 VanDerWaalsContact O-CG 3.31Å; S571-P574 WeakPolarHBondContact O-CG 3.33Å; S571-N575 VanDerWaalsContact O-CB 3.26Å; S571-N575 WeakPolarHBondContact O-CB 3.49Å; S571-N575 PolarHBondContact O-N 3.35Å; S571-N575 VanDerWaalsContact O-N 3.1Å; S571-N575 PolarHBondContact O-ND2 3.15Å; S571-N575 PolarHBondContact O-OD1 2.89Å |
| 572 | L | 87.1 | Confident | 81 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.3 | -46.9 | -177.1 | -178.5 | 63.2 | 0 | 0 | 0 | 111.3 | S558 V559 I562 F569 N575 C576 V622 | S558-L572 VanDerWaalsContact O-CD1 3.29Å; S558-L572 WeakPolarHBondContact O-CD1 3.13Å; V559-L572 HydrophobicContact CG2-CD1 4.43Å; I562-L572 HydrophobicContact CD1-CD1 4.35Å; F569-L572 HydrophobicContact CB-CB 3.77Å; F569-L572 HydrophobicContact CB-CD2 3.95Å; F569-L572 HydrophobicContact CD1-CB 4.38Å; F569-L572 HydrophobicContact CD1-CD2 3.78Å; F569-L572 HydrophobicContact CG-CD2 4.12Å; F569-L572 VanDerWaalsContact O-CB 3.29Å; F569-L572 WeakPolarHBondContact O-CB 3.24Å; F569-L572 PolarHBondContact O-N 2.99Å; L572-N575 PolarHBondContact O-N 3.38Å; L572-C576 VanDerWaalsContact O-CB 3.27Å; L572-C576 WeakPolarHBondContact O-CB 3.23Å; L572-C576 PolarHBondContact O-N 2.9Å; L572-C576 PolarHBondContact O-SG 3.11Å; L572-C576 VanDerWaalsContact O-SG 3.34Å; L572-V622 WeakPolarHBondContact CD2-O 3.49Å |
| 573 | K | 88 | Confident | 81.6 | Confident | 99 Ų | 99 | 57 Ų | 57 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.5 | -55.7 | 179.9 | -68.6 | -161.8 | 177.2 | -167.2 | 0 | 113.1 | N575 C576 N577 P624 D626 I627 | K573-N575 VanDerWaalsContact C-N 3.32Å; K573-N575 PolarHBondContact O-N 3.42Å; K573-C576 PolarHBondContact O-N 3.08Å; K573-N577 VanDerWaalsContact O-CB 3.3Å; K573-N577 WeakPolarHBondContact O-CB 3.3Å; K573-N577 PolarHBondContact O-N 3.03Å; K573-P624 HydrophobicContact CG-CB 4.12Å; K573-P624 HydrophobicContact CG-CG 4.21Å; K573-D626 IonicContact NZ-OD1 3.38Å; K573-D626 IonicContact NZ-OD2 2.68Å; K573-D626 PolarHBondContact NZ-OD2 3.24Å; K573-I627 VanDerWaalsContact CA-CD1 3.48Å; K573-I627 HydrophobicContact CB-CD1 3.66Å; K573-I627 HydrophobicContact CD-CD1 4.47Å; K573-I627 HydrophobicContact CG-CD1 3.94Å; K573-I627 WeakPolarHBondContact O-CD1 3.31Å |
| 574 | P | 89.2 | Confident | 82.5 | Confident | 69 Ų | 69 | 54.3 Ų | 54.3 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 178.5 | 22.6 | -31.8 | 0 | 0 | 0 | 112.4 | S570 S571 N577 D578 | S570-P574 WeakPolarHBondContact O-CD 3.28Å; S570-P574 WeakPolarHBondContact O-CG 3.5Å; S571-P574 VanDerWaalsContact O-CD 3.31Å; S571-P574 WeakPolarHBondContact O-CD 3.39Å; S571-P574 VanDerWaalsContact O-CG 3.31Å; S571-P574 WeakPolarHBondContact O-CG 3.33Å; P574-N577 PolarHBondContact O-N 3.18Å; P574-D578 WeakPolarHBondContact O-CB 3.28Å; P574-D578 PolarHBondContact O-N 3.18Å |
| 575 | N | 91 | Very high | 83.6 | Confident | 33 Ų | 33 | 54 Ų | 54 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 178.7 | -68.2 | -5.7 | 0 | 0 | 0 | 112.6 | S558 S571 L572 K573 A579 | S558-N575 PolarHBondContact OG-O 3.13Å; S571-N575 VanDerWaalsContact O-CB 3.26Å; S571-N575 WeakPolarHBondContact O-CB 3.49Å; S571-N575 PolarHBondContact O-N 3.35Å; S571-N575 VanDerWaalsContact O-N 3.1Å; S571-N575 PolarHBondContact O-ND2 3.15Å; S571-N575 PolarHBondContact O-OD1 2.89Å; L572-N575 PolarHBondContact O-N 3.38Å; K573-N575 VanDerWaalsContact C-N 3.32Å; K573-N575 PolarHBondContact O-N 3.42Å; N575-A579 WeakPolarHBondContact O-CB 3.32Å; N575-A579 PolarHBondContact O-N 3.04Å |
| 576 | C | 91.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.5 | -38.4 | 174.9 | -75.4 | 0 | 0 | 0 | 0 | 111.3 | L572 K573 A579 L580 F623 P624 I627 | L572-C576 VanDerWaalsContact O-CB 3.27Å; L572-C576 WeakPolarHBondContact O-CB 3.23Å; L572-C576 PolarHBondContact O-N 2.9Å; L572-C576 PolarHBondContact O-SG 3.11Å; L572-C576 VanDerWaalsContact O-SG 3.34Å; K573-C576 PolarHBondContact O-N 3.08Å; C576-A579 PolarHBondContact O-N 3.38Å; C576-L580 WeakPolarHBondContact O-CB 3.48Å; C576-L580 VanDerWaalsContact O-CG 3.31Å; C576-L580 WeakPolarHBondContact O-CG 3.47Å; C576-L580 PolarHBondContact O-N 3.49Å; C576-F623 HydrophobicContact CB-CE2 4.36Å; C576-P624 HydrophobicContact CB-CG 4.23Å; C576-I627 HydrophobicContact CB-CD1 4.36Å |
| 577 | N | 93.1 | Very high | 85.9 | Confident | 59 Ų | 59 | 49.2 Ų | 49.2 | 32% | 0.316 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 174.9 | -177.5 | 58.2 | 0 | 0 | 0 | 111.8 | K573 P574 L580 S581 I627 H631 | K573-N577 VanDerWaalsContact O-CB 3.3Å; K573-N577 WeakPolarHBondContact O-CB 3.3Å; K573-N577 PolarHBondContact O-N 3.03Å; P574-N577 PolarHBondContact O-N 3.18Å; N577-L580 PolarHBondContact O-N 3.4Å; N577-S581 WeakPolarHBondContact O-CB 3.18Å; N577-S581 PolarHBondContact O-N 3.23Å; N577-I627 HydrophobicContact CB-CD1 4.45Å; N577-I627 HydrophobicContact CB-CG2 3.9Å; N577-H631 PolarHBondContact OD1-NE2 3.14Å |
| 578 | D | 92.4 | Very high | 87.1 | Confident | 77 Ų | 77 | 45.3 Ų | 45.3 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.4 | -46.7 | 175.6 | -172.2 | 55.1 | 0 | 0 | 0 | 111.5 | P574 L580 S581 H582 | P574-D578 WeakPolarHBondContact O-CB 3.28Å; P574-D578 PolarHBondContact O-N 3.18Å; D578-L580 PolarHBondContact O-N 3.2Å; D578-S581 WeakPolarHBondContact O-CB 3.47Å; D578-S581 PolarHBondContact O-N 3.24Å; D578-S581 VanDerWaalsContact O-N 3.09Å; D578-S581 PolarHBondContact O-OG 3.46Å; D578-H582 PolarHBondContact O-CD2 2.95Å; D578-H582 PolarHBondContact O-N 3.12Å; D578-H582 VanDerWaalsContact O-N 3.08Å; D578-H582 IonicContact OD1-CD2 3.82Å; D578-H582 IonicContact OD1-NE2 3.9Å; D578-H582 IonicContact OD2-CD2 3.85Å |
| 579 | A | 93.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L554 S558 N575 C576 S581 H582 I583 | L554-A579 HydrophobicContact CD1-CB 4.4Å; L554-A579 HydrophobicContact CD2-CB 4.17Å; L554-A579 HydrophobicContact CG-CB 3.83Å; S558-A579 WeakPolarHBondContact OG-CB 3.49Å; N575-A579 WeakPolarHBondContact O-CB 3.32Å; N575-A579 PolarHBondContact O-N 3.04Å; C576-A579 PolarHBondContact O-N 3.38Å; A579-S581 VanDerWaalsContact C-N 3.3Å; A579-S581 PolarHBondContact O-N 2.94Å; A579-H582 PolarHBondContact O-N 2.93Å; A579-I583 WeakPolarHBondContact O-CB 3.22Å; A579-I583 VanDerWaalsContact O-CG1 3.27Å; A579-I583 WeakPolarHBondContact O-CG1 3.35Å; A579-I583 PolarHBondContact O-N 3.47Å |
| 580 | L | 94.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -36.9 | 175.8 | -76.1 | 175.4 | 0 | 0 | 0 | 112.2 | C576 N577 D578 H582 I583 N584 L614 L617 F623 I627 L628 L635 | C576-L580 WeakPolarHBondContact O-CB 3.48Å; C576-L580 VanDerWaalsContact O-CG 3.31Å; C576-L580 WeakPolarHBondContact O-CG 3.47Å; C576-L580 PolarHBondContact O-N 3.49Å; N577-L580 PolarHBondContact O-N 3.4Å; D578-L580 PolarHBondContact O-N 3.2Å; L580-H582 VanDerWaalsContact C-N 3.35Å; L580-H582 PolarHBondContact O-N 2.9Å; L580-I583 PolarHBondContact O-N 3.31Å; L580-N584 VanDerWaalsContact O-CB 3.24Å; L580-N584 WeakPolarHBondContact O-CB 3.39Å; L580-N584 PolarHBondContact O-N 3.09Å; L580-L614 HydrophobicContact CD2-CD1 3.73Å; L580-L617 HydrophobicContact CD2-CD2 3.78Å; L580-L617 HydrophobicContact CG-CD2 4Å; L580-F623 HydrophobicContact CD1-CE2 4.23Å; L580-F623 HydrophobicContact CD1-CZ 4.09Å; L580-I627 HydrophobicContact CD1-CG2 3.89Å; L580-L628 HydrophobicContact CD1-CD2 4.35Å; L580-L635 HydrophobicContact CD2-CD1 4.35Å; L580-L635 HydrophobicContact CD2-CD2 4.44Å |
| 581 | S | 93.2 | Very high | 87 | Confident | 47 Ų | 47 | 35.4 Ų | 35.4 | 33% | 0.329 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 176.6 | 85.9 | 0 | 0 | 0 | 0 | 111.9 | N577 D578 A579 R585 | N577-S581 WeakPolarHBondContact O-CB 3.18Å; N577-S581 PolarHBondContact O-N 3.23Å; D578-S581 WeakPolarHBondContact O-CB 3.47Å; D578-S581 PolarHBondContact O-N 3.24Å; D578-S581 VanDerWaalsContact O-N 3.09Å; D578-S581 PolarHBondContact O-OG 3.46Å; A579-S581 VanDerWaalsContact C-N 3.3Å; A579-S581 PolarHBondContact O-N 2.94Å; S581-R585 WeakPolarHBondContact O-CB 3.3Å; S581-R585 PolarHBondContact O-N 3.01Å; S581-R585 VanDerWaalsContact O-N 3.08Å |
| 582 | H | 91.7 | Very high | 85.8 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 13% | 0.134 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.8 | -46.1 | 176.2 | -81.1 | -70.3 | 0 | 0 | 0 | 111.7 | L554 D578 A579 L580 N584 R585 F586 | L554-H582 HydrophobicContact CD2-CB 3.66Å; D578-H582 PolarHBondContact O-CD2 2.95Å; D578-H582 PolarHBondContact O-N 3.12Å; D578-H582 VanDerWaalsContact O-N 3.08Å; D578-H582 IonicContact OD1-CD2 3.82Å; D578-H582 IonicContact OD1-NE2 3.9Å; D578-H582 IonicContact OD2-CD2 3.85Å; A579-H582 PolarHBondContact O-N 2.93Å; L580-H582 VanDerWaalsContact C-N 3.35Å; L580-H582 PolarHBondContact O-N 2.9Å; H582-N584 VanDerWaalsContact C-N 3.34Å; H582-N584 PolarHBondContact O-N 3.18Å; H582-R585 WeakPolarHBondContact O-CB 3.41Å; H582-R585 PolarHBondContact O-N 2.9Å; H582-F586 WeakPolarHBondContact O-CD2 3.38Å; H582-F586 PolarHBondContact O-N 3Å; H582-F586 VanDerWaalsContact O-N 3.17Å |
| 583 | I | 93.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56 | -50 | 175 | -72.7 | 167.5 | 0 | 0 | 0 | 110.2 | P555 A579 L580 R585 F586 L587 A610 L614 | P555-I583 HydrophobicContact CG-CD1 4.3Å; A579-I583 WeakPolarHBondContact O-CB 3.22Å; A579-I583 VanDerWaalsContact O-CG1 3.27Å; A579-I583 WeakPolarHBondContact O-CG1 3.35Å; A579-I583 PolarHBondContact O-N 3.47Å; L580-I583 PolarHBondContact O-N 3.31Å; I583-R585 VanDerWaalsContact C-N 3.3Å; I583-R585 PolarHBondContact O-N 2.79Å; I583-F586 PolarHBondContact O-N 3.37Å; I583-F586 VanDerWaalsContact O-N 3.14Å; I583-L587 VanDerWaalsContact O-CB 3.26Å; I583-L587 WeakPolarHBondContact O-CB 3.42Å; I583-L587 PolarHBondContact O-N 3.16Å; I583-A610 HydrophobicContact CG2-CB 4.45Å; I583-L614 HydrophobicContact CG2-CB 4Å |
| 584 | N | 92.4 | Very high | 82.7 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.8 | -43.7 | 178.3 | -96.1 | -33.8 | 0 | 0 | 0 | 112.4 | L580 H582 F586 L587 N588 H631 N634 L635 | L580-N584 VanDerWaalsContact O-CB 3.24Å; L580-N584 WeakPolarHBondContact O-CB 3.39Å; L580-N584 PolarHBondContact O-N 3.09Å; H582-N584 VanDerWaalsContact C-N 3.34Å; H582-N584 PolarHBondContact O-N 3.18Å; N584-F586 VanDerWaalsContact C-N 3.28Å; N584-F586 PolarHBondContact O-N 3.05Å; N584-L587 PolarHBondContact O-N 3.04Å; N584-N588 WeakPolarHBondContact O-CB 3.4Å; N584-N588 PolarHBondContact O-N 3.43Å; N584-N588 VanDerWaalsContact O-N 3.08Å; N584-N588 PolarHBondContact O-ND2 2.96Å; N584-H631 WeakPolarHBondContact ND2-CB 3.43Å; N584-H631 PolarHBondContact ND2-ND1 2.85Å; N584-N634 HydrophobicContact CB-CB 4.43Å; N584-N634 WeakPolarHBondContact OD1-CB 3.47Å; N584-L635 WeakPolarHBondContact OD1-CD2 3.32Å; N584-L635 WeakPolarHBondContact OD1-CG 3.49Å; N584-L635 PolarHBondContact OD1-N 3.14Å |
| 585 | R | 88.4 | Confident | 81.3 | Confident | 100 Ų | 100 | 53.7 Ų | 53.7 | 38% | 0.377 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.7 | -38 | 178.8 | 177.9 | 178.9 | 175.5 | -178.5 | -4.7 | 112.5 | N526 Q529 S581 H582 I583 | N526-R585 VanDerWaalsContact OD1-CZ 3.3Å; N526-R585 PolarHBondContact OD1-NH1 3.3Å; N526-R585 PolarHBondContact OD1-NH2 3.49Å; Q529-R585 VanDerWaalsContact OE1-CZ 3.28Å; Q529-R585 VanDerWaalsContact OE1-NE 3.08Å; S581-R585 WeakPolarHBondContact O-CB 3.3Å; S581-R585 PolarHBondContact O-N 3.01Å; S581-R585 VanDerWaalsContact O-N 3.08Å; H582-R585 WeakPolarHBondContact O-CB 3.41Å; H582-R585 PolarHBondContact O-N 2.9Å; I583-R585 VanDerWaalsContact C-N 3.3Å; I583-R585 PolarHBondContact O-N 2.79Å |
| 586 | F | 89.2 | Confident | 80.4 | Confident | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -85.8 | -35.2 | 179.6 | -68.9 | -68.5 | 0 | 0 | 0 | 112.7 | L547 L551 H582 I583 N584 I606 R607 A610 | L547-F586 HydrophobicContact CD1-CE1 4.36Å; L547-F586 HydrophobicContact CD1-CE2 4.21Å; L547-F586 HydrophobicContact CD1-CZ 3.88Å; L547-F586 HydrophobicContact CD2-CD1 4.31Å; L547-F586 HydrophobicContact CD2-CE1 3.78Å; L547-F586 HydrophobicContact CD2-CZ 4.15Å; L551-F586 HydrophobicContact CD1-CB 4.41Å; L551-F586 HydrophobicContact CD1-CD2 4.25Å; L551-F586 HydrophobicContact CD1-CG 4.35Å; L551-F586 HydrophobicContact CD2-CD2 3.61Å; L551-F586 HydrophobicContact CD2-CE2 4Å; L551-F586 HydrophobicContact CD2-CG 4.47Å; L551-F586 HydrophobicContact CG-CD2 4.47Å; H582-F586 WeakPolarHBondContact O-CD2 3.38Å; H582-F586 PolarHBondContact O-N 3Å; H582-F586 VanDerWaalsContact O-N 3.17Å; I583-F586 PolarHBondContact O-N 3.37Å; I583-F586 VanDerWaalsContact O-N 3.14Å; N584-F586 VanDerWaalsContact C-N 3.28Å; N584-F586 PolarHBondContact O-N 3.05Å; F586-I606 HydrophobicContact CB-CG2 4.05Å; F586-I606 HydrophobicContact CD1-CG2 3.75Å; F586-I606 HydrophobicContact CG-CG2 4.07Å; F586-R607 WeakPolarHBondContact O-CG 3.43Å; F586-A610 HydrophobicContact CB-CB 4.09Å |
| 587 | L | 90 | Very high | 79.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 178.3 | -174 | 67 | 0 | 0 | 0 | 112.3 | I583 N584 R589 R607 A611 L614 L635 L642 | I583-L587 VanDerWaalsContact O-CB 3.26Å; I583-L587 WeakPolarHBondContact O-CB 3.42Å; I583-L587 PolarHBondContact O-N 3.16Å; N584-L587 PolarHBondContact O-N 3.04Å; L587-R589 PolarHBondContact O-N 3.23Å; L587-R607 PolarHBondContact O-NE 3.19Å; L587-A611 HydrophobicContact CD1-CB 4.24Å; L587-L614 HydrophobicContact CD2-CD2 4.37Å; L587-L635 HydrophobicContact CD2-CD2 4.44Å; L587-L642 HydrophobicContact CD1-CD2 3.81Å |
| 588 | N | 84.1 | Confident | 78.7 | Confident | 53 Ų | 53 | 60 Ų | 60 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 12.9 | -175.8 | -75.5 | -73.8 | 0 | 0 | 0 | 115.1 | N584 N634 G638 | N584-N588 WeakPolarHBondContact O-CB 3.4Å; N584-N588 PolarHBondContact O-N 3.43Å; N584-N588 VanDerWaalsContact O-N 3.08Å; N584-N588 PolarHBondContact O-ND2 2.96Å; N588-N634 PolarHBondContact ND2-O 2.86Å; N588-N634 PolarHBondContact OD1-O 3.18Å; N588-G638 WeakPolarHBondContact OD1-CA 3.25Å; N588-G638 PolarHBondContact OD1-N 2.92Å; N588-G638 VanDerWaalsContact OD1-N 3.07Å |
| 589 | R | 74 | Confident | 77.9 | Confident | 35 Ų | 35 | 57.8 Ų | 57.8 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | trans | -71 | 136.4 | 179.9 | -75.3 | -159.7 | 177.3 | -166.2 | 12.6 | 112.1 | Q529 L587 S591 M603 | Q529-R589 VanDerWaalsContact CB-NH2 3.25Å; Q529-R589 VanDerWaalsContact CD-NH2 3.31Å; L587-R589 PolarHBondContact O-N 3.23Å; R589-S591 PolarHBondContact O-N 3.37Å; R589-M603 HydrophobicContact CB-SD 3.98Å; R589-M603 VanDerWaalsContact CD-CE 3.5Å; R589-M603 VanDerWaalsContact CD-SD 3.54Å; R589-M603 HydrophobicContact CG-SD 4.36Å | ||
| 590 | S | 67.6 | Low | 77.2 | Confident | 70 Ų | 70 | 61.7 Ų | 61.7 | 49% | 0.49 | 31% | 0.308 | S | S | . | . | trans | -57.9 | 131.2 | 174.9 | 145.9 | 0 | 0 | 0 | 0 | 111.8 | K592 W593 | S590-K592 PolarHBondContact OG-N 2.96Å; S590-K592 VanDerWaalsContact OG-N 3.16Å; S590-W593 PolarHBondContact O-NE1 3.44Å | ||
| 591 | S | 61.2 | Low | 76.9 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 24% | 0.238 | 32% | 0.321 | C | S | . | . | trans | -86.1 | -0.7 | 170.2 | 56.3 | 0 | 0 | 0 | 0 | 114.7 | R589 W593 D645 | R589-S591 PolarHBondContact O-N 3.37Å; S591-W593 PolarHBondContact O-N 2.91Å; S591-D645 WeakPolarHBondContact CB-OD1 3.32Å; S591-D645 VanDerWaalsContact CB-OD2 3.25Å; S591-D645 WeakPolarHBondContact CB-OD2 3.29Å; S591-D645 PolarHBondContact OG-OD1 3.25Å; S591-D645 PolarHBondContact OG-OD2 3.16Å | ||
| 592 | K | 56.9 | Low | 76.5 | Confident | 176 Ų | 176 | 62.4 Ų | 62.4 | 77% | 0.765 | 31% | 0.306 | S | S | * | . | trans | -70.6 | 51.6 | -179.3 | -62.4 | -172.6 | 178.1 | -178.5 | 0 | 113.8 | S590 D594 | S590-K592 PolarHBondContact OG-N 2.96Å; S590-K592 VanDerWaalsContact OG-N 3.16Å; K592-D594 VanDerWaalsContact C-N 3.34Å | ||
| 593 | W | 55.4 | Low | 76.2 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 22% | 0.216 | 30% | 0.301 | C | S | . | . | trans | -103.2 | 51.6 | 176.8 | -65.7 | 59.7 | 0 | 0 | 0 | 108.1 | M532 S590 S591 Q595 N596 Q599 M603 | M532-W593 HydrophobicContact CB-CH2 3.44Å; M532-W593 VanDerWaalsContact CB-CH2 3.44Å; M532-W593 HydrophobicContact CB-CZ2 4.42Å; M532-W593 HydrophobicContact CB-CZ3 4.08Å; M532-W593 HydrophobicContact CG-CH2 3.23Å; M532-W593 HydrophobicContact CG-CZ2 4.29Å; M532-W593 HydrophobicContact CG-CZ3 3.48Å; M532-W593 VanDerWaalsContact CG-CZ3 3.48Å; M532-W593 WeakPolarHBondContact O-CH2 3.21Å; M532-W593 HydrophobicContact SD-CE3 4.4Å; M532-W593 HydrophobicContact SD-CH2 3.12Å; M532-W593 WeakPolarHBondContact SD-CH2 3.43Å; M532-W593 HydrophobicContact SD-CZ2 3.68Å; M532-W593 HydrophobicContact SD-CZ3 3.5Å; M532-W593 VanDerWaalsContact SD-CZ3 3.5Å; S590-W593 PolarHBondContact O-NE1 3.44Å; S591-W593 PolarHBondContact O-N 2.91Å; W593-Q595 PolarHBondContact O-N 3.48Å; W593-N596 PolarHBondContact O-N 2.91Å; W593-Q599 HydrophobicContact CE3-CB 3.62Å; W593-Q599 HydrophobicContact CE3-CG 4.32Å; W593-Q599 HydrophobicContact CZ3-CB 3.97Å; W593-Q599 HydrophobicContact CZ3-CG 4.28Å; W593-M603 HydrophobicContact CZ2-CE 4.17Å | ||
| 594 | D | 54.1 | Low | 76 | Confident | 149 Ų | 149 | 61.7 Ų | 61.7 | 80% | 0.797 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -4.3 | -165.9 | -65.9 | -25.9 | 0 | 0 | 0 | 114.2 | K592 | K592-D594 VanDerWaalsContact C-N 3.34Š|
| 595 | Q | 59.2 | Low | 75.9 | Confident | 199 Ų | 199 | 61.2 Ų | 61.2 | 93% | 0.93 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -16.7 | -173.2 | -63.1 | -172.9 | -0.7 | 0 | 0 | 115.5 | W593 | W593-Q595 PolarHBondContact O-N 3.48Š|
| 596 | N | 73 | Confident | 76 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | trans | -136.7 | 106.3 | -176.1 | -167.7 | -20.8 | 0 | 0 | 0 | 113.3 | W593 F598 Q599 K600 | W593-N596 PolarHBondContact O-N 2.91Å; N596-F598 VanDerWaalsContact C-N 3.31Å; N596-F598 PolarHBondContact O-N 3.3Å; N596-F598 PolarHBondContact OD1-N 3.45Å; N596-F598 VanDerWaalsContact OD1-N 3.09Å; N596-Q599 HydrophobicContact CB-CB 4.06Å; N596-Q599 HydrophobicContact CB-CG 4.01Å; N596-Q599 PolarHBondContact O-N 3.22Å; N596-Q599 PolarHBondContact OD1-N 2.8Å; N596-K600 PolarHBondContact O-N 2.68Å; N596-K600 VanDerWaalsContact O-N 3.09Å | ||
| 597 | V | 73.4 | Confident | 76.1 | Confident | 107 Ų | 107 | 56.6 Ų | 56.6 | 65% | 0.648 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -56.2 | -43 | 179.4 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | Q599 K600 Q601 | V597-Q599 PolarHBondContact O-N 3Å; V597-K600 WeakPolarHBondContact O-CB 3.3Å; V597-K600 PolarHBondContact O-N 2.87Å; V597-Q601 WeakPolarHBondContact O-CG 3.33Å; V597-Q601 PolarHBondContact O-N 3.04Å |
| 598 | F | 75.1 | Confident | 76.3 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 25% | 0.254 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | -177.7 | -174.9 | -108.8 | 0 | 0 | 0 | 111.8 | M537 I541 N596 K600 Q601 L602 | M537-F598 HydrophobicContact CB-CD1 3.94Å; M537-F598 HydrophobicContact CB-CE1 3.9Å; I541-F598 HydrophobicContact CD1-CZ 4.09Å; I541-F598 HydrophobicContact CG1-CZ 3.81Å; N596-F598 VanDerWaalsContact C-N 3.31Å; N596-F598 PolarHBondContact O-N 3.3Å; N596-F598 PolarHBondContact OD1-N 3.45Å; N596-F598 VanDerWaalsContact OD1-N 3.09Å; F598-K600 VanDerWaalsContact C-N 3.32Å; F598-K600 PolarHBondContact O-N 2.93Å; F598-Q601 PolarHBondContact O-N 3.25Å; F598-L602 HydrophobicContact CD1-CD1 3.9Å; F598-L602 HydrophobicContact CD1-CG 4.34Å; F598-L602 HydrophobicContact CE1-CD1 3.49Å; F598-L602 VanDerWaalsContact CE1-CD1 3.49Å; F598-L602 HydrophobicContact CE1-CD2 4.45Å; F598-L602 HydrophobicContact CE1-CG 4.05Å; F598-L602 HydrophobicContact CZ-CD1 4.03Å; F598-L602 HydrophobicContact CZ-CD2 4.16Å; F598-L602 HydrophobicContact CZ-CG 4.2Å; F598-L602 WeakPolarHBondContact O-CG 3.39Å; F598-L602 PolarHBondContact O-N 3.13Å |
| 599 | Q | 75.2 | Confident | 76.7 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 175.4 | -70.3 | 177.2 | -15.4 | 0 | 0 | 112 | M537 W593 N596 V597 Q601 L602 M603 | M537-Q599 HydrophobicContact CE-CG 3.77Å; M537-Q599 HydrophobicContact CG-CG 4.01Å; M537-Q599 HydrophobicContact SD-CG 3.64Å; W593-Q599 HydrophobicContact CE3-CB 3.62Å; W593-Q599 HydrophobicContact CE3-CG 4.32Å; W593-Q599 HydrophobicContact CZ3-CB 3.97Å; W593-Q599 HydrophobicContact CZ3-CG 4.28Å; N596-Q599 HydrophobicContact CB-CB 4.06Å; N596-Q599 HydrophobicContact CB-CG 4.01Å; N596-Q599 PolarHBondContact O-N 3.22Å; N596-Q599 PolarHBondContact OD1-N 2.8Å; V597-Q599 PolarHBondContact O-N 3Å; Q599-Q601 VanDerWaalsContact C-N 3.34Å; Q599-Q601 PolarHBondContact O-N 2.8Å; Q599-L602 PolarHBondContact O-N 2.88Å; Q599-M603 WeakPolarHBondContact O-CB 3.36Å; Q599-M603 PolarHBondContact O-N 3.42Å |
| 600 | K | 80 | Confident | 77.7 | Confident | 83 Ų | 83 | 52.4 Ų | 52.4 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 174.1 | -173.6 | 179.3 | 177 | -179.6 | 0 | 111.3 | N596 V597 F598 M603 M604 | N596-K600 PolarHBondContact O-N 2.68Å; N596-K600 VanDerWaalsContact O-N 3.09Å; V597-K600 WeakPolarHBondContact O-CB 3.3Å; V597-K600 PolarHBondContact O-N 2.87Å; F598-K600 VanDerWaalsContact C-N 3.32Å; F598-K600 PolarHBondContact O-N 2.93Å; K600-M603 PolarHBondContact O-N 2.77Å; K600-M604 VanDerWaalsContact O-CB 3.3Å; K600-M604 WeakPolarHBondContact O-CB 3.31Å; K600-M604 PolarHBondContact O-N 2.76Å |
| 601 | Q | 86.2 | Confident | 79 | Confident | 61 Ų | 61 | 49.1 Ų | 49.1 | 29% | 0.285 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.5 | -45.9 | 177.6 | -70.4 | 171.6 | -24.8 | 0 | 0 | 112.2 | T384 S385 V597 F598 Q599 M603 M604 C605 | T384-Q601 WeakPolarHBondContact O-CB 3.45Å; S385-Q601 PolarHBondContact O-NE2 2.85Å; S385-Q601 PolarHBondContact O-OE1 3.41Å; V597-Q601 WeakPolarHBondContact O-CG 3.33Å; V597-Q601 PolarHBondContact O-N 3.04Å; F598-Q601 PolarHBondContact O-N 3.25Å; Q599-Q601 VanDerWaalsContact C-N 3.34Å; Q599-Q601 PolarHBondContact O-N 2.8Å; Q601-M603 VanDerWaalsContact C-N 3.33Å; Q601-M603 PolarHBondContact O-N 3.36Å; Q601-M604 WeakPolarHBondContact O-CB 3.49Å; Q601-M604 PolarHBondContact O-N 3.22Å; Q601-C605 PolarHBondContact O-N 2.78Å |
| 602 | L | 86.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 175 | -70.2 | -177.8 | 0 | 0 | 0 | 112.1 | T384 M537 E540 I541 V544 F598 Q599 C605 I606 | T384-L602 HydrophobicContact CG2-CD2 3.85Å; M537-L602 HydrophobicContact SD-CD1 4.06Å; E540-L602 HydrophobicContact CB-CD1 4.16Å; I541-L602 HydrophobicContact CG1-CD2 4.5Å; V544-L602 HydrophobicContact CB-CD2 4.3Å; V544-L602 HydrophobicContact CG1-CD2 4.37Å; V544-L602 HydrophobicContact CG2-CB 4.11Å; V544-L602 HydrophobicContact CG2-CD1 4.45Å; V544-L602 HydrophobicContact CG2-CD2 4.01Å; V544-L602 HydrophobicContact CG2-CG 4.41Å; F598-L602 HydrophobicContact CD1-CD1 3.9Å; F598-L602 HydrophobicContact CD1-CG 4.34Å; F598-L602 HydrophobicContact CE1-CD1 3.49Å; F598-L602 VanDerWaalsContact CE1-CD1 3.49Å; F598-L602 HydrophobicContact CE1-CD2 4.45Å; F598-L602 HydrophobicContact CE1-CG 4.05Å; F598-L602 HydrophobicContact CZ-CD1 4.03Å; F598-L602 HydrophobicContact CZ-CD2 4.16Å; F598-L602 HydrophobicContact CZ-CG 4.2Å; F598-L602 WeakPolarHBondContact O-CG 3.39Å; F598-L602 PolarHBondContact O-N 3.13Å; Q599-L602 PolarHBondContact O-N 2.88Å; L602-C605 WeakPolarHBondContact O-CB 3.38Å; L602-C605 PolarHBondContact O-N 3.23Å; L602-I606 PolarHBondContact O-N 3.15Å |
| 603 | M | 85.5 | Confident | 82.3 | Confident | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.03 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.2 | -40.1 | 175.9 | -175.8 | 53.5 | 69 | 0 | 0 | 112.2 | M532 R589 W593 Q599 K600 Q601 C605 I606 R607 | M532-M603 HydrophobicContact CE-CE 3.32Å; M532-M603 HydrophobicContact SD-CE 3.38Å; M532-M603 WeakPolarHBondContact SD-CE 3.46Å; R589-M603 HydrophobicContact CB-SD 3.98Å; R589-M603 VanDerWaalsContact CD-CE 3.5Å; R589-M603 VanDerWaalsContact CD-SD 3.54Å; R589-M603 HydrophobicContact CG-SD 4.36Å; W593-M603 HydrophobicContact CZ2-CE 4.17Å; Q599-M603 WeakPolarHBondContact O-CB 3.36Å; Q599-M603 PolarHBondContact O-N 3.42Å; K600-M603 PolarHBondContact O-N 2.77Å; Q601-M603 VanDerWaalsContact C-N 3.33Å; Q601-M603 PolarHBondContact O-N 3.36Å; M603-C605 VanDerWaalsContact C-N 3.32Å; M603-C605 PolarHBondContact O-N 2.71Å; M603-I606 PolarHBondContact O-N 3.24Å; M603-R607 HydrophobicContact CG-CG 4.46Å; M603-R607 WeakPolarHBondContact O-CG 3.46Å; M603-R607 PolarHBondContact O-N 3.21Å; M603-R607 HydrophobicContact SD-CG 4.3Å |
| 604 | M | 89.5 | Confident | 84.2 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 176.7 | -170.6 | 62.6 | 79.7 | 0 | 0 | 110.6 | P387 E388 K600 Q601 I606 R607 L608 L642 D645 V646 | P387-M604 HydrophobicContact CG-CB 3.95Å; P387-M604 HydrophobicContact CG-CG 4.03Å; E388-M604 HydrophobicContact CG-CG 4.15Å; K600-M604 VanDerWaalsContact O-CB 3.3Å; K600-M604 WeakPolarHBondContact O-CB 3.31Å; K600-M604 PolarHBondContact O-N 2.76Å; Q601-M604 WeakPolarHBondContact O-CB 3.49Å; Q601-M604 PolarHBondContact O-N 3.22Å; M604-I606 VanDerWaalsContact C-N 3.3Å; M604-I606 PolarHBondContact O-N 2.71Å; M604-R607 PolarHBondContact O-N 2.97Å; M604-L608 HydrophobicContact CG-CD1 3.95Å; M604-L608 HydrophobicContact CG-CG 4.11Å; M604-L608 WeakPolarHBondContact O-CB 3.45Å; M604-L608 VanDerWaalsContact O-CG 3.26Å; M604-L608 WeakPolarHBondContact O-CG 3.05Å; M604-L608 PolarHBondContact O-N 3.05Å; M604-L608 HydrophobicContact SD-CD2 4.44Å; M604-L608 HydrophobicContact SD-CG 4.21Å; M604-L642 HydrophobicContact SD-CD1 3.8Å; M604-D645 HydrophobicContact CE-CB 4.12Å; M604-D645 WeakPolarHBondContact CE-O 3.45Å; M604-V646 HydrophobicContact CE-CG1 4.06Å; M604-V646 HydrophobicContact SD-CG1 3.78Å |
| 605 | C | 89.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.1 | -45.3 | 175.2 | -167.9 | 0 | 0 | 0 | 0 | 112.1 | F383 P387 V544 Q601 L602 M603 A609 | F383-C605 PolarHBondContact O-SG 2.69Å; P387-C605 HydrophobicContact CB-CB 3.77Å; P387-C605 HydrophobicContact CG-CB 4.25Å; V544-C605 HydrophobicContact CG1-CB 4.05Å; Q601-C605 PolarHBondContact O-N 2.78Å; L602-C605 WeakPolarHBondContact O-CB 3.38Å; L602-C605 PolarHBondContact O-N 3.23Å; M603-C605 VanDerWaalsContact C-N 3.32Å; M603-C605 PolarHBondContact O-N 2.71Å; C605-A609 WeakPolarHBondContact O-CB 3.42Å; C605-A609 PolarHBondContact O-N 2.82Å |
| 606 | I | 90 | Very high | 87.8 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.1 | -45.7 | 177.7 | -61.7 | 165.6 | 0 | 0 | 0 | 111.6 | M532 V544 L547 T548 L551 F586 L602 M603 M604 A609 A610 | M532-I606 HydrophobicContact CE-CD1 4.13Å; V544-I606 HydrophobicContact CG1-CG1 4Å; V544-I606 HydrophobicContact CG2-CD1 4.21Å; L547-I606 HydrophobicContact CD2-CD1 3.73Å; L547-I606 HydrophobicContact CD2-CG1 3.94Å; L547-I606 HydrophobicContact CD2-CG2 3.85Å; L547-I606 HydrophobicContact CG-CG2 4.44Å; T548-I606 HydrophobicContact CG2-CG1 4.43Å; L551-I606 HydrophobicContact CD1-CG2 4Å; F586-I606 HydrophobicContact CB-CG2 4.05Å; F586-I606 HydrophobicContact CD1-CG2 3.75Å; F586-I606 HydrophobicContact CG-CG2 4.07Å; L602-I606 PolarHBondContact O-N 3.15Å; M603-I606 PolarHBondContact O-N 3.24Å; M604-I606 VanDerWaalsContact C-N 3.3Å; M604-I606 PolarHBondContact O-N 2.71Å; I606-A609 PolarHBondContact O-N 3.24Å; I606-A610 PolarHBondContact O-N 2.93Å |
| 607 | R | 91.6 | Very high | 88.7 | Confident | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.015 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | -178.8 | -73.1 | 177 | 73 | -159.7 | 5.4 | 112 | F586 L587 M603 M604 A610 A611 L642 D645 | F586-R607 WeakPolarHBondContact O-CG 3.43Å; L587-R607 PolarHBondContact O-NE 3.19Å; M603-R607 HydrophobicContact CG-CG 4.46Å; M603-R607 WeakPolarHBondContact O-CG 3.46Å; M603-R607 PolarHBondContact O-N 3.21Å; M603-R607 HydrophobicContact SD-CG 4.3Å; M604-R607 PolarHBondContact O-N 2.97Å; R607-A610 PolarHBondContact O-N 2.47Å; R607-A611 WeakPolarHBondContact O-CB 3.35Å; R607-A611 PolarHBondContact O-N 3.1Å; R607-L642 HydrophobicContact CB-CD1 4Å; R607-L642 HydrophobicContact CB-CD2 4.43Å; R607-L642 VanDerWaalsContact NH2-CA 3.3Å; R607-D645 IonicContact CZ-OD2 3.21Å; R607-D645 IonicContact NH1-OD2 2.65Å; R607-D645 PolarHBondContact NH1-OD2 3.02Å; R607-D645 IonicContact NH2-OD2 2.85Å; R607-D645 PolarHBondContact NH2-OD2 3.41Å |
| 608 | L | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.2 | -40.6 | 173.6 | -66.8 | -179.1 | 0 | 0 | 0 | 111.3 | P387 E388 L391 W418 M604 A610 A611 Y612 L642 V646 T651 M655 | P387-L608 HydrophobicContact CB-CD1 4.13Å; E388-L608 HydrophobicContact CG-CD1 4.21Å; L391-L608 HydrophobicContact CD2-CB 4.26Å; L391-L608 HydrophobicContact CD2-CD1 4.09Å; L391-L608 HydrophobicContact CD2-CD2 3.95Å; L391-L608 HydrophobicContact CD2-CG 4.34Å; W418-L608 HydrophobicContact CH2-CB 3.73Å; W418-L608 HydrophobicContact CZ3-CB 4.48Å; M604-L608 HydrophobicContact CG-CD1 3.95Å; M604-L608 HydrophobicContact CG-CG 4.11Å; M604-L608 WeakPolarHBondContact O-CB 3.45Å; M604-L608 VanDerWaalsContact O-CG 3.26Å; M604-L608 WeakPolarHBondContact O-CG 3.05Å; M604-L608 PolarHBondContact O-N 3.05Å; M604-L608 HydrophobicContact SD-CD2 4.44Å; M604-L608 HydrophobicContact SD-CG 4.21Å; L608-A610 VanDerWaalsContact C-N 3.33Å; L608-A610 PolarHBondContact O-N 3.16Å; L608-A611 PolarHBondContact O-N 3.06Å; L608-Y612 VanDerWaalsContact O-CB 3.29Å; L608-Y612 WeakPolarHBondContact O-CB 3.39Å; L608-Y612 PolarHBondContact O-N 3.4Å; L608-L642 HydrophobicContact CD2-CD2 4.47Å; L608-V646 HydrophobicContact CD2-CG1 4.22Å; L608-T651 HydrophobicContact CD1-CG2 4.47Å; L608-T651 HydrophobicContact CD2-CG2 3.76Å; L608-M655 HydrophobicContact CD2-CE 3.41Å; L608-M655 VanDerWaalsContact CD2-CE 3.41Å |
| 609 | A | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.5 | -39.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | W418 T548 L551 C605 I606 Y612 S613 | W418-A609 HydrophobicContact CZ2-CB 3.81Å; T548-A609 HydrophobicContact CG2-CB 3.76Å; L551-A609 HydrophobicContact CD1-CB 4.27Å; C605-A609 WeakPolarHBondContact O-CB 3.42Å; C605-A609 PolarHBondContact O-N 2.82Å; I606-A609 PolarHBondContact O-N 3.24Å; A609-Y612 PolarHBondContact O-N 2.94Å; A609-S613 VanDerWaalsContact O-CB 3.24Å; A609-S613 WeakPolarHBondContact O-CB 3.37Å; A609-S613 PolarHBondContact O-N 3.48Å; A609-S613 PolarHBondContact O-OG 3.3Å |
| 610 | A | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | L551 I583 F586 I606 R607 L608 Y612 S613 L614 | L551-A610 HydrophobicContact CD1-CB 4.22Å; I583-A610 HydrophobicContact CG2-CB 4.45Å; F586-A610 HydrophobicContact CB-CB 4.09Å; I606-A610 PolarHBondContact O-N 2.93Å; R607-A610 PolarHBondContact O-N 2.47Å; L608-A610 VanDerWaalsContact C-N 3.33Å; L608-A610 PolarHBondContact O-N 3.16Å; A610-Y612 VanDerWaalsContact C-N 3.34Å; A610-S613 PolarHBondContact O-N 2.75Å; A610-L614 WeakPolarHBondContact O-CB 3.48Å; A610-L614 PolarHBondContact O-N 3.29Å |
| 611 | A | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L587 R607 L608 L614 T615 L642 M655 L658 | L587-A611 HydrophobicContact CD1-CB 4.24Å; R607-A611 WeakPolarHBondContact O-CB 3.35Å; R607-A611 PolarHBondContact O-N 3.1Å; L608-A611 PolarHBondContact O-N 3.06Å; A611-L614 PolarHBondContact O-N 3.24Å; A611-T615 PolarHBondContact O-N 3.35Å; A611-T615 PolarHBondContact O-OG1 3.45Å; A611-L642 HydrophobicContact CB-CD2 3.76Å; A611-M655 HydrophobicContact CB-CE 4.03Å; A611-M655 HydrophobicContact CB-SD 3.91Å; A611-L658 HydrophobicContact CB-CD2 3.8Å |
| 612 | Y | 94 | Very high | 91.1 | Very high | 20 Ų | 20 | 18.1 Ų | 18.1 | 8% | 0.078 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.9 | -47.4 | 175.1 | -170.4 | -89.6 | 0 | 0 | 0 | 111.8 | L391 N415 W418 N419 L608 A609 A610 L614 T615 W616 Y654 | L391-Y612 HydrophobicContact CD1-CD2 4.38Å; N415-Y612 VanDerWaalsContact OD1-CE2 3.28Å; N415-Y612 WeakPolarHBondContact OD1-CE2 3.32Å; W418-Y612 HydrophobicContact CB-CD1 3.66Å; W418-Y612 HydrophobicContact CB-CE1 3.68Å; W418-Y612 HydrophobicContact CB-CG 4.36Å; W418-Y612 HydrophobicContact CD2-CD1 4.31Å; W418-Y612 HydrophobicContact CD2-CG 4.19Å; W418-Y612 AromaticContact CE3-CD1 3.9Å; W418-Y612 HydrophobicContact CE3-CD1 3.9Å; W418-Y612 AromaticContact CE3-CD2 3.6Å; W418-Y612 HydrophobicContact CE3-CD2 3.6Å; W418-Y612 HydrophobicContact CE3-CE2 4.31Å; W418-Y612 AromaticContact CE3-CG 3.38Å; W418-Y612 HydrophobicContact CE3-CG 3.38Å; W418-Y612 HydrophobicContact CG-CD1 4.26Å; W418-Y612 HydrophobicContact CZ3-CD2 4.05Å; W418-Y612 AromaticContact CZ3-CG 3.98Å; W418-Y612 HydrophobicContact CZ3-CG 3.98Å; N419-Y612 HydrophobicContact CB-CE1 4.22Å; N419-Y612 WeakPolarHBondContact CB-OH 3.26Å; N419-Y612 VanDerWaalsContact CG-OH 3.24Å; N419-Y612 PolarHBondContact ND2-OH 2.93Å; L608-Y612 VanDerWaalsContact O-CB 3.29Å; L608-Y612 WeakPolarHBondContact O-CB 3.39Å; L608-Y612 PolarHBondContact O-N 3.4Å; A609-Y612 PolarHBondContact O-N 2.94Å; A610-Y612 VanDerWaalsContact C-N 3.34Å; Y612-L614 VanDerWaalsContact C-N 3.29Å; Y612-L614 PolarHBondContact O-N 3.44Å; Y612-T615 WeakPolarHBondContact O-CB 3.46Å; Y612-T615 PolarHBondContact O-N 3.07Å; Y612-T615 VanDerWaalsContact O-N 3.12Å; Y612-W616 PolarHBondContact O-N 3.32Å; Y612-Y654 WeakPolarHBondContact CA-OH 3.49Å; Y612-Y654 HydrophobicContact CD2-CE2 4.12Å; Y612-Y654 AromaticContact CD2-CZ 3.8Å; Y612-Y654 WeakPolarHBondContact CD2-OH 3.4Å; Y612-Y654 HydrophobicContact CE2-CE2 4.35Å |
| 613 | S | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.9 | -38.5 | 177.8 | -60 | 0 | 0 | 0 | 0 | 112 | L551 A609 A610 L617 | L551-S613 VanDerWaalsContact C-OG 3.25Å; L551-S613 WeakPolarHBondContact O-CB 3.47Å; L551-S613 PolarHBondContact O-OG 2.91Å; A609-S613 VanDerWaalsContact O-CB 3.24Å; A609-S613 WeakPolarHBondContact O-CB 3.37Å; A609-S613 PolarHBondContact O-N 3.48Å; A609-S613 PolarHBondContact O-OG 3.3Å; A610-S613 PolarHBondContact O-N 2.75Å; S613-L617 WeakPolarHBondContact O-CB 3.48Å; S613-L617 PolarHBondContact O-N 3.29Å; S613-L617 VanDerWaalsContact O-N 3.12Å |
| 614 | L | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.5 | -47.5 | 172.1 | -178.7 | 59 | 0 | 0 | 0 | 111.5 | L580 I583 L587 A610 A611 Y612 W616 L617 L618 L635 L658 L662 | L580-L614 HydrophobicContact CD2-CD1 3.73Å; I583-L614 HydrophobicContact CG2-CB 4Å; L587-L614 HydrophobicContact CD2-CD2 4.37Å; A610-L614 WeakPolarHBondContact O-CB 3.48Å; A610-L614 PolarHBondContact O-N 3.29Å; A611-L614 PolarHBondContact O-N 3.24Å; Y612-L614 VanDerWaalsContact C-N 3.29Å; Y612-L614 PolarHBondContact O-N 3.44Å; L614-W616 VanDerWaalsContact C-N 3.34Å; L614-W616 PolarHBondContact O-N 3.34Å; L614-L617 WeakPolarHBondContact O-CB 3.41Å; L614-L617 PolarHBondContact O-N 3.21Å; L614-L617 VanDerWaalsContact O-N 3.15Å; L614-L618 HydrophobicContact CD1-CD1 4.3Å; L614-L618 HydrophobicContact CD1-CD2 4.49Å; L614-L618 HydrophobicContact CD1-CG 4.22Å; L614-L618 HydrophobicContact CG-CD1 4.09Å; L614-L618 HydrophobicContact CG-CG 4.42Å; L614-L618 VanDerWaalsContact O-CG 3.3Å; L614-L618 WeakPolarHBondContact O-CG 3.48Å; L614-L618 PolarHBondContact O-N 2.66Å; L614-L635 HydrophobicContact CD1-CD1 4.49Å; L614-L635 HydrophobicContact CD1-CD2 3.91Å; L614-L635 HydrophobicContact CD2-CD2 3.67Å; L614-L635 HydrophobicContact CG-CD2 4.45Å; L614-L658 HydrophobicContact CB-CD1 4.44Å; L614-L658 HydrophobicContact CD2-CD1 3.91Å; L614-L658 HydrophobicContact CD2-CD2 4.26Å; L614-L658 HydrophobicContact CG-CD1 3.94Å; L614-L662 HydrophobicContact CD2-CD2 4.48Å |
| 615 | T | 94.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.1 | -49.8 | 179.8 | -50.5 | 0 | 0 | 0 | 0 | 110.5 | A611 Y612 L617 L618 E619 Y654 F657 | A611-T615 PolarHBondContact O-N 3.35Å; A611-T615 PolarHBondContact O-OG1 3.45Å; Y612-T615 WeakPolarHBondContact O-CB 3.46Å; Y612-T615 PolarHBondContact O-N 3.07Å; Y612-T615 VanDerWaalsContact O-N 3.12Å; T615-L617 VanDerWaalsContact C-N 3.3Å; T615-L617 PolarHBondContact O-N 3.46Å; T615-L618 PolarHBondContact O-N 2.68Å; T615-L618 VanDerWaalsContact O-N 3.15Å; T615-E619 WeakPolarHBondContact O-CG 3.49Å; T615-E619 PolarHBondContact O-N 3.02Å; T615-E619 VanDerWaalsContact O-N 3.13Å; T615-Y654 WeakPolarHBondContact CB-OH 3.43Å; T615-Y654 WeakPolarHBondContact CG2-OH 3.25Å; T615-Y654 PolarHBondContact OG1-OH 2.91Å; T615-F657 HydrophobicContact CG2-CD1 4.09Å; T615-F657 HydrophobicContact CG2-CE1 3.71Å |
| 616 | W | 93.5 | Very high | 90.6 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 7% | 0.068 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.9 | -45.7 | 176.8 | -175.7 | 94.4 | 0 | 0 | 0 | 111.4 | N422 P555 R556 V559 Y612 L614 L618 E619 V620 | N422-W616 PolarHBondContact ND2-NE1 2.85Å; P555-W616 HydrophobicContact CB-CE3 3.54Å; P555-W616 HydrophobicContact CB-CZ3 3.67Å; R556-W616 HydrophobicContact CB-CH2 4.35Å; R556-W616 HydrophobicContact CG-CH2 3.7Å; R556-W616 HydrophobicContact CG-CZ2 3.65Å; R556-W616 HydrophobicContact CG-CZ3 4.18Å; V559-W616 HydrophobicContact CB-CH2 4.13Å; V559-W616 HydrophobicContact CB-CZ3 4.25Å; V559-W616 HydrophobicContact CG1-CH2 4.34Å; V559-W616 HydrophobicContact CG2-CH2 4.35Å; V559-W616 HydrophobicContact CG2-CZ3 3.99Å; Y612-W616 PolarHBondContact O-N 3.32Å; L614-W616 VanDerWaalsContact C-N 3.34Å; L614-W616 PolarHBondContact O-N 3.34Å; W616-L618 VanDerWaalsContact C-N 3.34Å; W616-L618 PolarHBondContact O-N 3.43Å; W616-E619 PolarHBondContact O-N 3Å; W616-E619 VanDerWaalsContact O-N 3.17Å; W616-V620 HydrophobicContact CD2-CG2 4.25Å; W616-V620 HydrophobicContact CE3-CG2 3.97Å; W616-V620 HydrophobicContact CH2-CG2 3.79Å; W616-V620 HydrophobicContact CZ2-CG2 4.08Å; W616-V620 HydrophobicContact CZ3-CG2 3.73Å; W616-V620 WeakPolarHBondContact O-CG2 3.43Å; W616-V620 PolarHBondContact O-N 2.69Å |
| 617 | L | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63 | -38.3 | 179.4 | -171.1 | 67.2 | 0 | 0 | 0 | 112.4 | P555 V559 L580 S613 L614 T615 E619 V620 F623 | P555-L617 HydrophobicContact CB-CB 4.44Å; P555-L617 HydrophobicContact CB-CD1 4.26Å; V559-L617 HydrophobicContact CG2-CD1 3.84Å; L580-L617 HydrophobicContact CD2-CD2 3.78Å; L580-L617 HydrophobicContact CG-CD2 4Å; S613-L617 WeakPolarHBondContact O-CB 3.48Å; S613-L617 PolarHBondContact O-N 3.29Å; S613-L617 VanDerWaalsContact O-N 3.12Å; L614-L617 WeakPolarHBondContact O-CB 3.41Å; L614-L617 PolarHBondContact O-N 3.21Å; L614-L617 VanDerWaalsContact O-N 3.15Å; T615-L617 VanDerWaalsContact C-N 3.3Å; T615-L617 PolarHBondContact O-N 3.46Å; L617-E619 VanDerWaalsContact C-N 3.28Å; L617-E619 PolarHBondContact O-N 2.68Å; L617-V620 PolarHBondContact O-N 2.81Å; L617-F623 HydrophobicContact CD1-CD2 3.7Å; L617-F623 HydrophobicContact CD1-CE2 4.17Å; L617-F623 HydrophobicContact CD2-CD2 3.96Å; L617-F623 HydrophobicContact CD2-CE2 3.56Å; L617-F623 HydrophobicContact CD2-CZ 4.4Å; L617-F623 HydrophobicContact CG-CD2 3.48Å; L617-F623 VanDerWaalsContact CG-CD2 3.48Å; L617-F623 HydrophobicContact CG-CE2 3.61Å; L617-F623 HydrophobicContact CG-CG 4.3Å; L617-F623 WeakPolarHBondContact O-CB 3.48Å; L617-F623 WeakPolarHBondContact O-CG 3.35Å |
| 618 | L | 92.2 | Very high | 90.4 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.7 | -22.2 | 177.5 | -63.6 | 174.3 | 0 | 0 | 0 | 113.1 | L614 T615 W616 F623 L628 L658 K661 L662 K665 | L614-L618 HydrophobicContact CD1-CD1 4.3Å; L614-L618 HydrophobicContact CD1-CD2 4.49Å; L614-L618 HydrophobicContact CD1-CG 4.22Å; L614-L618 HydrophobicContact CG-CD1 4.09Å; L614-L618 HydrophobicContact CG-CG 4.42Å; L614-L618 VanDerWaalsContact O-CG 3.3Å; L614-L618 WeakPolarHBondContact O-CG 3.48Å; L614-L618 PolarHBondContact O-N 2.66Å; T615-L618 PolarHBondContact O-N 2.68Å; T615-L618 VanDerWaalsContact O-N 3.15Å; W616-L618 VanDerWaalsContact C-N 3.34Å; W616-L618 PolarHBondContact O-N 3.43Å; L618-F623 HydrophobicContact CD2-CE1 4.11Å; L618-L628 HydrophobicContact CD2-CD1 3.99Å; L618-L628 HydrophobicContact CD2-CD2 3.87Å; L618-L658 HydrophobicContact CD1-CD1 3.82Å; L618-K661 HydrophobicContact CD1-CB 3.98Å; L618-L662 HydrophobicContact CD1-CD2 3.76Å; L618-L662 HydrophobicContact CD1-CG 4.16Å; L618-K665 HydrophobicContact CB-CD 4.39Å; L618-K665 HydrophobicContact CD2-CD 3.93Å; L618-K665 WeakPolarHBondContact O-CE 3.21Å; L618-K665 PolarHBondContact O-NZ 3.33Å |
| 619 | E | 90.7 | Very high | 90.1 | Very high | 108 Ų | 108 | 31.9 Ų | 31.9 | 51% | 0.505 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -86.7 | -15.6 | 178.6 | -70.9 | -177.1 | 155.5 | 0 | 0 | 113.5 | T615 W616 L617 S621 F657 | T615-E619 WeakPolarHBondContact O-CG 3.49Å; T615-E619 PolarHBondContact O-N 3.02Å; T615-E619 VanDerWaalsContact O-N 3.13Å; W616-E619 PolarHBondContact O-N 3Å; W616-E619 VanDerWaalsContact O-N 3.17Å; L617-E619 VanDerWaalsContact C-N 3.28Å; L617-E619 PolarHBondContact O-N 2.68Å; E619-S621 PolarHBondContact O-N 2.9Å; E619-F657 WeakPolarHBondContact OE1-CE1 3.15Å; E619-F657 VanDerWaalsContact OE1-CZ 3.29Å; E619-F657 WeakPolarHBondContact OE1-CZ 3.23Å |
| 620 | V | 88.8 | Confident | 89.8 | Confident | 26 Ų | 26 | 38 Ų | 38 | 16% | 0.158 | 21% | 0.209 | C | C | . | . | trans | -73.4 | 125.8 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | V559 W616 L617 V622 F623 | V559-V620 HydrophobicContact CG1-CG1 3.78Å; V559-V620 HydrophobicContact CG2-CG1 4.28Å; W616-V620 HydrophobicContact CD2-CG2 4.25Å; W616-V620 HydrophobicContact CE3-CG2 3.97Å; W616-V620 HydrophobicContact CH2-CG2 3.79Å; W616-V620 HydrophobicContact CZ2-CG2 4.08Å; W616-V620 HydrophobicContact CZ3-CG2 3.73Å; W616-V620 WeakPolarHBondContact O-CG2 3.43Å; W616-V620 PolarHBondContact O-N 2.69Å; L617-V620 PolarHBondContact O-N 2.81Å; V620-V622 VanDerWaalsContact C-N 3.33Å; V620-V622 HydrophobicContact CG1-CB 4.46Å; V620-V622 HydrophobicContact CG1-CG2 3.39Å; V620-V622 PolarHBondContact O-N 3.43Å; V620-F623 VanDerWaalsContact O-CB 3.28Å; V620-F623 WeakPolarHBondContact O-CB 3.41Å; V620-F623 PolarHBondContact O-N 3.44Å | ||
| 621 | S | 83.7 | Confident | 89.7 | Confident | 121 Ų | 121 | 39 Ų | 39 | 85% | 0.846 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -28.7 | -177.5 | 57 | 0 | 0 | 0 | 0 | 114.8 | E619 F623 | E619-S621 PolarHBondContact O-N 2.9Å; S621-F623 VanDerWaalsContact C-N 3.27Å; S621-F623 PolarHBondContact O-N 2.93Å |
| 622 | V | 84.8 | Confident | 89.5 | Confident | 63 Ų | 63 | 39 Ų | 39 | 38% | 0.382 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -0.2 | 178.9 | -63.4 | 0 | 0 | 0 | 0 | 113.4 | V559 L572 V620 | V559-V622 HydrophobicContact CG1-CG2 3.9Å; L572-V622 WeakPolarHBondContact CD2-O 3.49Å; V620-V622 VanDerWaalsContact C-N 3.33Å; V620-V622 HydrophobicContact CG1-CB 4.46Å; V620-V622 HydrophobicContact CG1-CG2 3.39Å; V620-V622 PolarHBondContact O-N 3.43Å |
| 623 | F | 86.4 | Confident | 89.3 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 4% | 0.044 | 23% | 0.232 | C | C | . | . | trans | -66.7 | 126.3 | -176.2 | 172.2 | -103.1 | 0 | 0 | 0 | 112.3 | C576 L580 L617 L618 V620 S621 E625 L628 | C576-F623 HydrophobicContact CB-CE2 4.36Å; L580-F623 HydrophobicContact CD1-CE2 4.23Å; L580-F623 HydrophobicContact CD1-CZ 4.09Å; L617-F623 HydrophobicContact CD1-CD2 3.7Å; L617-F623 HydrophobicContact CD1-CE2 4.17Å; L617-F623 HydrophobicContact CD2-CD2 3.96Å; L617-F623 HydrophobicContact CD2-CE2 3.56Å; L617-F623 HydrophobicContact CD2-CZ 4.4Å; L617-F623 HydrophobicContact CG-CD2 3.48Å; L617-F623 VanDerWaalsContact CG-CD2 3.48Å; L617-F623 HydrophobicContact CG-CE2 3.61Å; L617-F623 HydrophobicContact CG-CG 4.3Å; L617-F623 WeakPolarHBondContact O-CB 3.48Å; L617-F623 WeakPolarHBondContact O-CG 3.35Å; L618-F623 HydrophobicContact CD2-CE1 4.11Å; V620-F623 VanDerWaalsContact O-CB 3.28Å; V620-F623 WeakPolarHBondContact O-CB 3.41Å; V620-F623 PolarHBondContact O-N 3.44Å; S621-F623 VanDerWaalsContact C-N 3.27Å; S621-F623 PolarHBondContact O-N 2.93Å; F623-E625 HydrophobicContact CD1-CG 4.36Å; F623-E625 PolarHBondContact O-N 2.94Å; F623-E625 VanDerWaalsContact O-N 3.17Å; F623-L628 HydrophobicContact CE1-CD1 3.7Å; F623-L628 HydrophobicContact CE1-CD2 3.72Å; F623-L628 HydrophobicContact CE1-CG 3.52Å; F623-L628 HydrophobicContact CZ-CD1 4.37Å; F623-L628 HydrophobicContact CZ-CD2 3.55Å; F623-L628 HydrophobicContact CZ-CG 3.71Å | ||
| 624 | P | 84.9 | Confident | 89.2 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | trans | -74.9 | 102.7 | -179.5 | 29.5 | -35.5 | 0 | 0 | 0 | 112.2 | K573 C576 D626 I627 | K573-P624 HydrophobicContact CG-CB 4.12Å; K573-P624 HydrophobicContact CG-CG 4.21Å; C576-P624 HydrophobicContact CB-CG 4.23Å; P624-D626 VanDerWaalsContact C-N 3.26Å; P624-D626 WeakPolarHBondContact CB-OD1 3.36Å; P624-D626 PolarHBondContact O-N 3.34Å; P624-I627 HydrophobicContact CB-CD1 4.04Å; P624-I627 HydrophobicContact CB-CG1 4.16Å; P624-I627 HydrophobicContact CG-CD1 3.51Å; P624-I627 HydrophobicContact CG-CG1 4.07Å; P624-I627 PolarHBondContact O-N 3.18Å | ||
| 625 | E | 83.6 | Confident | 89.1 | Confident | 98 Ų | 98 | 46.7 Ų | 46.7 | 46% | 0.458 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -65.7 | -24.3 | -176.4 | -62.3 | -172.1 | 161.6 | 0 | 0 | 113.9 | F623 I627 L628 K665 | F623-E625 HydrophobicContact CD1-CG 4.36Å; F623-E625 PolarHBondContact O-N 2.94Å; F623-E625 VanDerWaalsContact O-N 3.17Å; E625-I627 PolarHBondContact O-N 3.31Å; E625-L628 VanDerWaalsContact O-CB 3.29Å; E625-L628 WeakPolarHBondContact O-CB 3.16Å; E625-L628 PolarHBondContact O-N 3.26Å; E625-K665 WeakPolarHBondContact OE1-CE 3.3Å; E625-K665 IonicContact OE1-NZ 3.23Å; E625-K665 PolarHBondContact OE1-NZ 3.2Å |
| 626 | D | 84.8 | Confident | 89.1 | Confident | 86 Ų | 86 | 46.6 Ų | 46.6 | 46% | 0.46 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -61 | -26.7 | 177.6 | 60.7 | -52.9 | 0 | 0 | 0 | 113 | K573 P624 L628 V629 | K573-D626 IonicContact NZ-OD1 3.38Å; K573-D626 IonicContact NZ-OD2 2.68Å; K573-D626 PolarHBondContact NZ-OD2 3.24Å; P624-D626 VanDerWaalsContact C-N 3.26Å; P624-D626 WeakPolarHBondContact CB-OD1 3.36Å; P624-D626 PolarHBondContact O-N 3.34Å; D626-L628 VanDerWaalsContact C-N 3.33Å; D626-V629 WeakPolarHBondContact O-CB 3.14Å; D626-V629 PolarHBondContact O-N 3.34Å |
| 627 | I | 87.9 | Confident | 89 | Confident | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -74.2 | -26.7 | 177.9 | -54.1 | -173.8 | 0 | 0 | 0 | 111.4 | K573 C576 N577 L580 P624 E625 V629 L630 H631 | K573-I627 VanDerWaalsContact CA-CD1 3.48Å; K573-I627 HydrophobicContact CB-CD1 3.66Å; K573-I627 HydrophobicContact CD-CD1 4.47Å; K573-I627 HydrophobicContact CG-CD1 3.94Å; K573-I627 WeakPolarHBondContact O-CD1 3.31Å; C576-I627 HydrophobicContact CB-CD1 4.36Å; N577-I627 HydrophobicContact CB-CD1 4.45Å; N577-I627 HydrophobicContact CB-CG2 3.9Å; L580-I627 HydrophobicContact CD1-CG2 3.89Å; P624-I627 HydrophobicContact CB-CD1 4.04Å; P624-I627 HydrophobicContact CB-CG1 4.16Å; P624-I627 HydrophobicContact CG-CD1 3.51Å; P624-I627 HydrophobicContact CG-CG1 4.07Å; P624-I627 PolarHBondContact O-N 3.18Å; E625-I627 PolarHBondContact O-N 3.31Å; I627-V629 PolarHBondContact O-N 3.14Å; I627-L630 WeakPolarHBondContact O-CB 3.47Å; I627-L630 PolarHBondContact O-N 3.47Å; I627-L630 VanDerWaalsContact O-N 3.09Å; I627-H631 PolarHBondContact O-CD2 3.42Å |
| 628 | L | 88.6 | Confident | 88.9 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.5 | -33 | 177.1 | -68.9 | 175.5 | 0 | 0 | 0 | 111.5 | L580 L618 F623 E625 D626 L630 H631 A632 L635 K665 | L580-L628 HydrophobicContact CD1-CD2 4.35Å; L618-L628 HydrophobicContact CD2-CD1 3.99Å; L618-L628 HydrophobicContact CD2-CD2 3.87Å; F623-L628 HydrophobicContact CE1-CD1 3.7Å; F623-L628 HydrophobicContact CE1-CD2 3.72Å; F623-L628 HydrophobicContact CE1-CG 3.52Å; F623-L628 HydrophobicContact CZ-CD1 4.37Å; F623-L628 HydrophobicContact CZ-CD2 3.55Å; F623-L628 HydrophobicContact CZ-CG 3.71Å; E625-L628 VanDerWaalsContact O-CB 3.29Å; E625-L628 WeakPolarHBondContact O-CB 3.16Å; E625-L628 PolarHBondContact O-N 3.26Å; D626-L628 VanDerWaalsContact C-N 3.33Å; L628-L630 PolarHBondContact O-N 3.06Å; L628-H631 CarbonylContact O-C 3.43Å; L628-H631 PolarHBondContact O-N 3.34Å; L628-A632 WeakPolarHBondContact O-CA 3.22Å; L628-A632 WeakPolarHBondContact O-CB 3.43Å; L628-A632 PolarHBondContact O-N 2.81Å; L628-L635 HydrophobicContact CD2-CD1 3.99Å; L628-K665 HydrophobicContact CD1-CB 3.77Å; L628-K665 HydrophobicContact CD1-CD 4.23Å |
| 629 | V | 87.1 | Confident | 89 | Confident | 89 Ų | 89 | 47.8 Ų | 47.8 | 54% | 0.539 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.7 | -37.1 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | D626 I627 H631 Y671 | D626-V629 WeakPolarHBondContact O-CB 3.14Å; D626-V629 PolarHBondContact O-N 3.34Å; I627-V629 PolarHBondContact O-N 3.14Å; V629-H631 VanDerWaalsContact C-N 3.28Å; V629-H631 PolarHBondContact O-N 2.62Å; V629-Y671 WeakPolarHBondContact CG1-OH 3.3Å; V629-Y671 PolarHBondContact O-OH 3.02Å |
| 630 | L | 89.1 | Confident | 89 | Confident | 128 Ų | 128 | 43 Ų | 43 | 67% | 0.67 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -70.9 | -24.7 | 179.4 | -58.8 | 176.5 | 0 | 0 | 0 | 113 | I627 L628 | I627-L630 WeakPolarHBondContact O-CB 3.47Å; I627-L630 PolarHBondContact O-N 3.47Å; I627-L630 VanDerWaalsContact O-N 3.09Å; L628-L630 PolarHBondContact O-N 3.06Å |
| 631 | H | 91.9 | Very high | 89.1 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -113.5 | -7.6 | -172.3 | -69.9 | -74.7 | 0 | 0 | 0 | 113.3 | N577 N584 I627 L628 V629 E633 N634 L635 | N577-H631 PolarHBondContact OD1-NE2 3.14Å; N584-H631 WeakPolarHBondContact ND2-CB 3.43Å; N584-H631 PolarHBondContact ND2-ND1 2.85Å; I627-H631 PolarHBondContact O-CD2 3.42Å; L628-H631 CarbonylContact O-C 3.43Å; L628-H631 PolarHBondContact O-N 3.34Å; V629-H631 VanDerWaalsContact C-N 3.28Å; V629-H631 PolarHBondContact O-N 2.62Å; H631-E633 PolarHBondContact O-N 3.02Å; H631-N634 PolarHBondContact O-N 3.29Å; H631-N634 VanDerWaalsContact O-N 3.09Å; H631-L635 HydrophobicContact CB-CD1 3.67Å; H631-L635 HydrophobicContact CB-CG 4.05Å; H631-L635 WeakPolarHBondContact O-CG 3.44Å; H631-L635 PolarHBondContact O-N 2.89Å |
| 632 | A | 89.5 | Confident | 89.5 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53 | -49.4 | -167 | 0 | 0 | 0 | 0 | 0 | 112.8 | L628 N634 L635 L636 I666 Y671 | L628-A632 WeakPolarHBondContact O-CA 3.22Å; L628-A632 WeakPolarHBondContact O-CB 3.43Å; L628-A632 PolarHBondContact O-N 2.81Å; A632-N634 PolarHBondContact O-N 3.37Å; A632-L635 PolarHBondContact O-N 3.25Å; A632-L636 WeakPolarHBondContact O-CB 3.5Å; A632-L636 VanDerWaalsContact O-CG 3.3Å; A632-L636 WeakPolarHBondContact O-CG 3.35Å; A632-L636 PolarHBondContact O-N 2.72Å; A632-I666 HydrophobicContact CB-CD1 3.96Å; A632-I666 HydrophobicContact CB-CG1 4.45Å; A632-I666 HydrophobicContact CB-CG2 4.08Å; A632-Y671 HydrophobicContact CB-CE1 4.27Å; A632-Y671 HydrophobicContact CB-CE2 3.98Å |
| 633 | E | 91.1 | Very high | 89.8 | Confident | 101 Ų | 101 | 38.1 Ų | 38.1 | 47% | 0.472 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.1 | -44.5 | -179.6 | 165.8 | 159 | -149.8 | 0 | 0 | 112.2 | H631 N637 F674 | H631-E633 PolarHBondContact O-N 3.02Å; E633-N637 VanDerWaalsContact O-CB 3.24Å; E633-N637 WeakPolarHBondContact O-CB 3.16Å; E633-N637 VanDerWaalsContact O-CG 3.32Å; E633-N637 PolarHBondContact O-N 3.4Å; E633-N637 PolarHBondContact O-ND2 2.93Å; E633-N637 VanDerWaalsContact O-ND2 3.12Å; E633-F674 HydrophobicContact CB-CE2 4.03Å; E633-F674 HydrophobicContact CB-CZ 4Å; E633-F674 HydrophobicContact CG-CE2 4.13Å; E633-F674 HydrophobicContact CG-CZ 3.85Å; E633-F674 WeakPolarHBondContact O-CZ 3.49Å |
| 634 | N | 92.4 | Very high | 89.9 | Confident | 81 Ų | 81 | 42.1 Ų | 42.1 | 43% | 0.433 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -72.4 | -35.8 | 179.5 | -70.3 | -34.3 | 0 | 0 | 0 | 112.4 | N584 N588 H631 A632 G638 | N584-N634 HydrophobicContact CB-CB 4.43Å; N584-N634 WeakPolarHBondContact OD1-CB 3.47Å; N588-N634 PolarHBondContact ND2-O 2.86Å; N588-N634 PolarHBondContact OD1-O 3.18Å; H631-N634 PolarHBondContact O-N 3.29Å; H631-N634 VanDerWaalsContact O-N 3.09Å; A632-N634 PolarHBondContact O-N 3.37Å; N634-G638 PolarHBondContact O-N 3.2Å |
| 635 | L | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.2 | -45.6 | 178.4 | -68.3 | 169.1 | 0 | 0 | 0 | 110.8 | L580 N584 L587 L614 L628 H631 A632 T639 L662 | L580-L635 HydrophobicContact CD2-CD1 4.35Å; L580-L635 HydrophobicContact CD2-CD2 4.44Å; N584-L635 WeakPolarHBondContact OD1-CD2 3.32Å; N584-L635 WeakPolarHBondContact OD1-CG 3.49Å; N584-L635 PolarHBondContact OD1-N 3.14Å; L587-L635 HydrophobicContact CD2-CD2 4.44Å; L614-L635 HydrophobicContact CD1-CD1 4.49Å; L614-L635 HydrophobicContact CD1-CD2 3.91Å; L614-L635 HydrophobicContact CD2-CD2 3.67Å; L614-L635 HydrophobicContact CG-CD2 4.45Å; L628-L635 HydrophobicContact CD2-CD1 3.99Å; H631-L635 HydrophobicContact CB-CD1 3.67Å; H631-L635 HydrophobicContact CB-CG 4.05Å; H631-L635 WeakPolarHBondContact O-CG 3.44Å; H631-L635 PolarHBondContact O-N 2.89Å; A632-L635 PolarHBondContact O-N 3.25Å; L635-T639 VanDerWaalsContact O-CB 3.25Å; L635-T639 WeakPolarHBondContact O-CB 3.38Å; L635-T639 PolarHBondContact O-N 3.43Å; L635-T639 PolarHBondContact O-OG1 3.17Å; L635-L662 HydrophobicContact CB-CD1 4.47Å; L635-L662 HydrophobicContact CB-CD2 4.4Å |
| 636 | L | 92.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.9 | -48.8 | 177 | -72.1 | 170.6 | 0 | 0 | 0 | 110.8 | A632 T639 L640 L659 L662 I666 L668 F674 | A632-L636 WeakPolarHBondContact O-CB 3.5Å; A632-L636 VanDerWaalsContact O-CG 3.3Å; A632-L636 WeakPolarHBondContact O-CG 3.35Å; A632-L636 PolarHBondContact O-N 2.72Å; L636-T639 PolarHBondContact O-N 3.01Å; L636-L640 WeakPolarHBondContact O-CB 3.5Å; L636-L640 WeakPolarHBondContact O-CG 3.4Å; L636-L640 PolarHBondContact O-N 3.48Å; L636-L659 HydrophobicContact CD2-CD1 4.26Å; L636-L662 HydrophobicContact CD2-CB 4.13Å; L636-L662 HydrophobicContact CD2-CD1 4.43Å; L636-I666 HydrophobicContact CD1-CD1 4.28Å; L636-I666 HydrophobicContact CD1-CG2 4.47Å; L636-I666 HydrophobicContact CD2-CD1 4.35Å; L636-I666 HydrophobicContact CG-CD1 4.11Å; L636-L668 HydrophobicContact CD1-CD2 4.23Å; L636-F674 HydrophobicContact CB-CD1 3.6Å; L636-F674 HydrophobicContact CB-CE1 3.47Å; L636-F674 VanDerWaalsContact CB-CE1 3.47Å; L636-F674 HydrophobicContact CB-CG 4.26Å; L636-F674 HydrophobicContact CB-CZ 4.04Å; L636-F674 HydrophobicContact CD1-CB 4.3Å; L636-F674 HydrophobicContact CD1-CD1 4.07Å; L636-F674 HydrophobicContact CD1-CD2 4.03Å; L636-F674 HydrophobicContact CD1-CE1 4.4Å; L636-F674 HydrophobicContact CD1-CE2 4.36Å; L636-F674 HydrophobicContact CD1-CG 3.85Å; L636-F674 HydrophobicContact CG-CD1 4.44Å |
| 637 | N | 91.7 | Very high | 90.4 | Very high | 47 Ų | 47 | 39 Ų | 39 | 25% | 0.251 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.9 | -50.7 | 176.5 | -82 | -35.9 | 0 | 0 | 0 | 111.7 | E633 T639 L640 F641 F674 | E633-N637 VanDerWaalsContact O-CB 3.24Å; E633-N637 WeakPolarHBondContact O-CB 3.16Å; E633-N637 VanDerWaalsContact O-CG 3.32Å; E633-N637 PolarHBondContact O-N 3.4Å; E633-N637 PolarHBondContact O-ND2 2.93Å; E633-N637 VanDerWaalsContact O-ND2 3.12Å; N637-T639 VanDerWaalsContact C-N 3.33Å; N637-T639 PolarHBondContact O-N 3.31Å; N637-L640 PolarHBondContact O-N 3.04Å; N637-F641 HydrophobicContact CB-CD2 4.41Å; N637-F641 HydrophobicContact CB-CE2 4.14Å; N637-F641 WeakPolarHBondContact O-CD2 3.47Å; N637-F641 WeakPolarHBondContact O-CG 3.35Å; N637-F641 PolarHBondContact O-N 3.18Å; N637-F674 HydrophobicContact CB-CE1 4.37Å; N637-F674 WeakPolarHBondContact OD1-CE1 3.39Å |
| 638 | G | 91.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.9 | -39.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N588 N634 L642 | N588-G638 WeakPolarHBondContact OD1-CA 3.25Å; N588-G638 PolarHBondContact OD1-N 2.92Å; N588-G638 VanDerWaalsContact OD1-N 3.07Å; N634-G638 PolarHBondContact O-N 3.2Å; G638-L642 WeakPolarHBondContact O-CB 3.14Å; G638-L642 PolarHBondContact O-N 2.89Å |
| 639 | T | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.3 | -46 | 176 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | L635 L636 N637 F641 L642 I643 L658 L659 L662 | L635-T639 VanDerWaalsContact O-CB 3.25Å; L635-T639 WeakPolarHBondContact O-CB 3.38Å; L635-T639 PolarHBondContact O-N 3.43Å; L635-T639 PolarHBondContact O-OG1 3.17Å; L636-T639 PolarHBondContact O-N 3.01Å; N637-T639 VanDerWaalsContact C-N 3.33Å; N637-T639 PolarHBondContact O-N 3.31Å; T639-F641 VanDerWaalsContact C-N 3.35Å; T639-F641 PolarHBondContact O-N 3.19Å; T639-L642 PolarHBondContact O-N 3.04Å; T639-I643 HydrophobicContact CG2-CD1 4.06Å; T639-I643 VanDerWaalsContact O-CG1 3.28Å; T639-I643 WeakPolarHBondContact O-CG1 3.22Å; T639-I643 PolarHBondContact O-N 3.06Å; T639-L658 HydrophobicContact CG2-CD2 4.22Å; T639-L658 HydrophobicContact CG2-CG 4.2Å; T639-L659 HydrophobicContact CG2-CB 4.18Å; T639-L662 HydrophobicContact CG2-CD1 4.3Å; T639-L662 WeakPolarHBondContact OG1-CD1 3.34Å |
| 640 | L | 92.1 | Very high | 90.3 | Very high | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 177.6 | -71.4 | 172.1 | 0 | 0 | 0 | 112.2 | L636 N637 Q644 L659 F674 P677 I678 T681 | L636-L640 WeakPolarHBondContact O-CB 3.5Å; L636-L640 WeakPolarHBondContact O-CG 3.4Å; L636-L640 PolarHBondContact O-N 3.48Å; N637-L640 PolarHBondContact O-N 3.04Å; L640-Q644 WeakPolarHBondContact O-CG 3.44Å; L640-Q644 PolarHBondContact O-N 3.2Å; L640-L659 HydrophobicContact CD2-CD1 4.38Å; L640-L659 HydrophobicContact CD2-CD2 4.14Å; L640-F674 HydrophobicContact CD1-CD1 4.19Å; L640-P677 HydrophobicContact CD1-CB 4Å; L640-I678 HydrophobicContact CD1-CG1 4.07Å; L640-I678 HydrophobicContact CD2-CG1 4.08Å; L640-T681 HydrophobicContact CD2-CG2 4.13Å |
| 641 | F | 90.5 | Very high | 90.4 | Very high | 108 Ų | 108 | 39 Ų | 39 | 47% | 0.474 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.5 | -43 | 173.7 | -70.7 | -51 | 0 | 0 | 0 | 111.9 | N637 T639 I643 Q644 D645 | N637-F641 HydrophobicContact CB-CD2 4.41Å; N637-F641 HydrophobicContact CB-CE2 4.14Å; N637-F641 WeakPolarHBondContact O-CD2 3.47Å; N637-F641 WeakPolarHBondContact O-CG 3.35Å; N637-F641 PolarHBondContact O-N 3.18Å; T639-F641 VanDerWaalsContact C-N 3.35Å; T639-F641 PolarHBondContact O-N 3.19Å; F641-I643 VanDerWaalsContact C-N 3.34Å; F641-I643 PolarHBondContact O-N 3.25Å; F641-Q644 PolarHBondContact O-N 3.35Å; F641-Q644 VanDerWaalsContact O-N 3.13Å; F641-D645 VanDerWaalsContact O-CG 3.23Å; F641-D645 PolarHBondContact O-N 2.9Å; F641-D645 VanDerWaalsContact O-OD2 3.11Å |
| 642 | L | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -40.9 | 178.8 | -177.6 | 58 | 0 | 0 | 0 | 112 | L587 M604 R607 L608 A611 G638 T639 Q644 D645 V646 M655 | L587-L642 HydrophobicContact CD1-CD2 3.81Å; M604-L642 HydrophobicContact SD-CD1 3.8Å; R607-L642 HydrophobicContact CB-CD1 4Å; R607-L642 HydrophobicContact CB-CD2 4.43Å; R607-L642 VanDerWaalsContact NH2-CA 3.3Å; L608-L642 HydrophobicContact CD2-CD2 4.47Å; A611-L642 HydrophobicContact CB-CD2 3.76Å; G638-L642 WeakPolarHBondContact O-CB 3.14Å; G638-L642 PolarHBondContact O-N 2.89Å; T639-L642 PolarHBondContact O-N 3.04Å; L642-Q644 PolarHBondContact O-N 2.93Å; L642-D645 PolarHBondContact O-N 3.44Å; L642-V646 HydrophobicContact CD1-CG1 3.96Å; L642-V646 HydrophobicContact CG-CG1 4.35Å; L642-V646 WeakPolarHBondContact O-CG2 3.12Å; L642-V646 PolarHBondContact O-N 3.26Å; L642-V646 VanDerWaalsContact O-N 3.16Å; L642-M655 HydrophobicContact CD2-CE 4.28Å; L642-M655 HydrophobicContact CD2-SD 3.58Å; L642-M655 VanDerWaalsContact CD2-SD 3.58Å; L642-M655 HydrophobicContact CG-CG 4.43Å; L642-M655 HydrophobicContact CG-SD 4.06Å |
| 643 | I | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.7 | -38.2 | 174.1 | -73.4 | 166.2 | 0 | 0 | 0 | 111.7 | T639 F641 D645 V646 M655 L656 L659 T681 L685 | T639-I643 HydrophobicContact CG2-CD1 4.06Å; T639-I643 VanDerWaalsContact O-CG1 3.28Å; T639-I643 WeakPolarHBondContact O-CG1 3.22Å; T639-I643 PolarHBondContact O-N 3.06Å; F641-I643 VanDerWaalsContact C-N 3.34Å; F641-I643 PolarHBondContact O-N 3.25Å; I643-D645 VanDerWaalsContact C-N 3.34Å; I643-V646 WeakPolarHBondContact O-CG2 3.23Å; I643-M655 HydrophobicContact CD1-CB 4.32Å; I643-M655 HydrophobicContact CG1-CB 3.45Å; I643-M655 VanDerWaalsContact CG1-CB 3.45Å; I643-M655 HydrophobicContact CG1-CG 4.36Å; I643-L656 HydrophobicContact CD1-CD2 4.49Å; I643-L659 HydrophobicContact CD1-CB 4.09Å; I643-L659 HydrophobicContact CD1-CD2 3.84Å; I643-T681 HydrophobicContact CB-CG2 4.3Å; I643-T681 HydrophobicContact CG2-CG2 3.65Å; I643-L685 HydrophobicContact CG2-CD1 3.45Å; I643-L685 VanDerWaalsContact CG2-CD1 3.45Å; I643-L685 HydrophobicContact CG2-CD2 4.11Å; I643-L685 HydrophobicContact CG2-CG 4.03Å |
| 644 | Q | 87.6 | Confident | 90.5 | Very high | 95 Ų | 95 | 38.2 Ų | 38.2 | 44% | 0.444 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -77.5 | -19.5 | 179.5 | -66 | 173.1 | 10.1 | 0 | 0 | 113.2 | L640 F641 L642 T681 | L640-Q644 WeakPolarHBondContact O-CG 3.44Å; L640-Q644 PolarHBondContact O-N 3.2Å; F641-Q644 PolarHBondContact O-N 3.35Å; F641-Q644 VanDerWaalsContact O-N 3.13Å; L642-Q644 PolarHBondContact O-N 2.93Å; Q644-T681 HydrophobicContact CG-CG2 4.24Å; Q644-T681 PolarHBondContact NE2-OG1 2.99Å |
| 645 | D | 87.6 | Confident | 90.5 | Very high | 24 Ų | 24 | 34.3 Ų | 34.3 | 13% | 0.128 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -93.2 | -25.9 | -175.8 | -68.2 | -40.9 | 0 | 0 | 0 | 114.1 | S591 M604 R607 F641 L642 I643 N647 | S591-D645 WeakPolarHBondContact CB-OD1 3.32Å; S591-D645 VanDerWaalsContact CB-OD2 3.25Å; S591-D645 WeakPolarHBondContact CB-OD2 3.29Å; S591-D645 PolarHBondContact OG-OD1 3.25Å; S591-D645 PolarHBondContact OG-OD2 3.16Å; M604-D645 HydrophobicContact CE-CB 4.12Å; M604-D645 WeakPolarHBondContact CE-O 3.45Å; R607-D645 IonicContact CZ-OD2 3.21Å; R607-D645 IonicContact NH1-OD2 2.65Å; R607-D645 PolarHBondContact NH1-OD2 3.02Å; R607-D645 IonicContact NH2-OD2 2.85Å; R607-D645 PolarHBondContact NH2-OD2 3.41Å; F641-D645 VanDerWaalsContact O-CG 3.23Å; F641-D645 PolarHBondContact O-N 2.9Å; F641-D645 VanDerWaalsContact O-OD2 3.11Å; L642-D645 PolarHBondContact O-N 3.44Å; I643-D645 VanDerWaalsContact C-N 3.34Å; D645-N647 PolarHBondContact O-ND2 2.82Å |
| 646 | V | 89.6 | Confident | 90.5 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | trans | -79 | 142.1 | 179.1 | -66.1 | 0 | 0 | 0 | 0 | 111.3 | E388 M604 L608 L642 I643 T651 Q652 M655 | E388-V646 WeakPolarHBondContact OE2-CB 3.43Å; M604-V646 HydrophobicContact CE-CG1 4.06Å; M604-V646 HydrophobicContact SD-CG1 3.78Å; L608-V646 HydrophobicContact CD2-CG1 4.22Å; L642-V646 HydrophobicContact CD1-CG1 3.96Å; L642-V646 HydrophobicContact CG-CG1 4.35Å; L642-V646 WeakPolarHBondContact O-CG2 3.12Å; L642-V646 PolarHBondContact O-N 3.26Å; L642-V646 VanDerWaalsContact O-N 3.16Å; I643-V646 WeakPolarHBondContact O-CG2 3.23Å; V646-T651 HydrophobicContact CB-CG2 3.87Å; V646-T651 HydrophobicContact CG1-CG2 3.62Å; V646-T651 HydrophobicContact CG2-CG2 4.35Å; V646-Q652 HydrophobicContact CG2-CB 4.48Å; V646-Q652 HydrophobicContact CG2-CG 3.53Å; V646-Q652 PolarHBondContact O-NE2 2.85Å; V646-M655 HydrophobicContact CG2-CG 4.36Å | ||
| 647 | N | 86.9 | Confident | 90.5 | Very high | 106 Ų | 106 | 38.8 Ų | 38.8 | 57% | 0.567 | 19% | 0.188 | S | C | * | . | trans | -110.5 | -32.4 | -174.1 | -53.5 | -77.1 | 0 | 0 | 0 | 112.5 | E388 D645 | E388-N647 PolarHBondContact OE1-N 3.46Å; E388-N647 PolarHBondContact OE1-ND2 3.3Å; E388-N647 PolarHBondContact OE2-N 3.38Å; D645-N647 PolarHBondContact O-ND2 2.82Å | ||
| 648 | E | 87.2 | Confident | 90.7 | Very high | 90 Ų | 90 | 36.6 Ų | 36.6 | 42% | 0.421 | 18% | 0.177 | S | C | . | . | trans | -72.7 | 135.5 | -179.1 | -66.5 | -62.3 | 159 | 0 | 0 | 110.9 | E388 E650 T651 Q652 | E388-E648 HydrophobicContact CB-CB 4.04Å; E388-E648 HydrophobicContact CB-CG 3.58Å; E388-E648 HydrophobicContact CG-CG 4.5Å; E388-E648 PolarHBondContact OE2-N 2.81Å; E648-E650 VanDerWaalsContact C-N 3.35Å; E648-E650 PolarHBondContact O-N 3.12Å; E648-T651 PolarHBondContact O-N 2.88Å; E648-Q652 WeakPolarHBondContact O-CG 3.34Å; E648-Q652 PolarHBondContact O-N 3.09Å | ||
| 649 | C | 87 | Confident | 90.8 | Very high | 42 Ų | 42 | 36.6 Ų | 36.6 | 28% | 0.284 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.5 | -41.7 | -176.3 | -77.4 | 0 | 0 | 0 | 0 | 111.9 | T651 Q652 I653 | C649-T651 VanDerWaalsContact C-N 3.32Å; C649-T651 PolarHBondContact O-N 3.11Å; C649-Q652 WeakPolarHBondContact O-CB 3.32Å; C649-Q652 PolarHBondContact O-N 2.93Å; C649-I653 VanDerWaalsContact O-CG1 3.29Å; C649-I653 WeakPolarHBondContact O-CG1 3.41Å; C649-I653 PolarHBondContact O-N 3.15Å |
| 650 | E | 88.1 | Confident | 90.8 | Very high | 94 Ų | 94 | 36.9 Ų | 36.9 | 44% | 0.439 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63 | -40.6 | 178.7 | -69 | 75.3 | -172.1 | 0 | 0 | 111.1 | E648 I653 Y654 | E648-E650 VanDerWaalsContact C-N 3.35Å; E648-E650 PolarHBondContact O-N 3.12Å; E650-I653 PolarHBondContact O-N 2.77Å; E650-Y654 PolarHBondContact O-N 2.82Å |
| 651 | T | 90.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.3 | -41.8 | 175.1 | -53.7 | 0 | 0 | 0 | 0 | 111 | E388 L391 L608 V646 E648 C649 I653 Y654 M655 | E388-T651 HydrophobicContact CG-CG2 4.31Å; L391-T651 HydrophobicContact CD2-CG2 4.38Å; L608-T651 HydrophobicContact CD1-CG2 4.47Å; L608-T651 HydrophobicContact CD2-CG2 3.76Å; V646-T651 HydrophobicContact CB-CG2 3.87Å; V646-T651 HydrophobicContact CG1-CG2 3.62Å; V646-T651 HydrophobicContact CG2-CG2 4.35Å; E648-T651 PolarHBondContact O-N 2.88Å; C649-T651 VanDerWaalsContact C-N 3.32Å; C649-T651 PolarHBondContact O-N 3.11Å; T651-I653 VanDerWaalsContact C-N 3.34Å; T651-I653 PolarHBondContact O-N 3.22Å; T651-Y654 WeakPolarHBondContact O-CB 3.37Å; T651-Y654 PolarHBondContact O-N 3.46Å; T651-M655 HydrophobicContact CG2-CE 4.23Å; T651-M655 WeakPolarHBondContact O-CG 3.19Å; T651-M655 PolarHBondContact O-N 3.21Å |
| 652 | Q | 91.4 | Very high | 91 | Very high | 16 Ų | 16 | 34.5 Ų | 34.5 | 8% | 0.075 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 174.4 | -73.4 | 172.1 | -7.4 | 0 | 0 | 112.1 | V646 E648 C649 Y654 M655 L656 L685 L695 | V646-Q652 HydrophobicContact CG2-CB 4.48Å; V646-Q652 HydrophobicContact CG2-CG 3.53Å; V646-Q652 PolarHBondContact O-NE2 2.85Å; E648-Q652 WeakPolarHBondContact O-CG 3.34Å; E648-Q652 PolarHBondContact O-N 3.09Å; C649-Q652 WeakPolarHBondContact O-CB 3.32Å; C649-Q652 PolarHBondContact O-N 2.93Å; Q652-Y654 VanDerWaalsContact C-N 3.35Å; Q652-M655 PolarHBondContact O-N 3.23Å; Q652-L656 WeakPolarHBondContact O-CG 3.48Å; Q652-L656 PolarHBondContact O-N 2.98Å; Q652-L685 HydrophobicContact CG-CD2 4.49Å; Q652-L695 HydrophobicContact CB-CD1 3.79Å |
| 653 | I | 90.8 | Very high | 90.8 | Very high | 48 Ų | 48 | 34.5 Ų | 34.5 | 25% | 0.246 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.5 | -45.6 | 174.5 | -70.1 | 165.3 | 0 | 0 | 0 | 110.5 | C649 E650 T651 M655 L656 F657 A694 L695 | C649-I653 VanDerWaalsContact O-CG1 3.29Å; C649-I653 WeakPolarHBondContact O-CG1 3.41Å; C649-I653 PolarHBondContact O-N 3.15Å; E650-I653 PolarHBondContact O-N 2.77Å; T651-I653 VanDerWaalsContact C-N 3.34Å; T651-I653 PolarHBondContact O-N 3.22Å; I653-M655 VanDerWaalsContact C-N 3.33Å; I653-M655 PolarHBondContact O-N 2.96Å; I653-L656 PolarHBondContact O-N 3.07Å; I653-F657 PolarHBondContact O-N 2.96Å; I653-A694 HydrophobicContact CD1-CB 3.82Å; I653-L695 HydrophobicContact CG1-CB 4.37Å; I653-L695 HydrophobicContact CG1-CD1 4.06Å |
| 654 | Y | 91.7 | Very high | 90.6 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 16% | 0.161 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 174.7 | -176.3 | -75.4 | 0 | 0 | 0 | 111.6 | Y612 T615 E650 T651 Q652 L656 F657 L658 | Y612-Y654 WeakPolarHBondContact CA-OH 3.49Å; Y612-Y654 HydrophobicContact CD2-CE2 4.12Å; Y612-Y654 AromaticContact CD2-CZ 3.8Å; Y612-Y654 WeakPolarHBondContact CD2-OH 3.4Å; Y612-Y654 HydrophobicContact CE2-CE2 4.35Å; T615-Y654 WeakPolarHBondContact CB-OH 3.43Å; T615-Y654 WeakPolarHBondContact CG2-OH 3.25Å; T615-Y654 PolarHBondContact OG1-OH 2.91Å; E650-Y654 PolarHBondContact O-N 2.82Å; T651-Y654 WeakPolarHBondContact O-CB 3.37Å; T651-Y654 PolarHBondContact O-N 3.46Å; Q652-Y654 VanDerWaalsContact C-N 3.35Å; Y654-L656 VanDerWaalsContact C-N 3.34Å; Y654-L656 PolarHBondContact O-N 3.47Å; Y654-F657 WeakPolarHBondContact O-CB 3.26Å; Y654-F657 PolarHBondContact O-N 2.83Å; Y654-L658 PolarHBondContact O-N 3.49Å |
| 655 | M | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.7 | -34 | 179.3 | -64.8 | -52.2 | 132.3 | 0 | 0 | 112.9 | L391 L608 A611 L642 I643 V646 T651 Q652 I653 F657 L658 L659 | L391-M655 HydrophobicContact CD2-CE 4.28Å; L608-M655 HydrophobicContact CD2-CE 3.41Å; L608-M655 VanDerWaalsContact CD2-CE 3.41Å; A611-M655 HydrophobicContact CB-CE 4.03Å; A611-M655 HydrophobicContact CB-SD 3.91Å; L642-M655 HydrophobicContact CD2-CE 4.28Å; L642-M655 HydrophobicContact CD2-SD 3.58Å; L642-M655 VanDerWaalsContact CD2-SD 3.58Å; L642-M655 HydrophobicContact CG-CG 4.43Å; L642-M655 HydrophobicContact CG-SD 4.06Å; I643-M655 HydrophobicContact CD1-CB 4.32Å; I643-M655 HydrophobicContact CG1-CB 3.45Å; I643-M655 VanDerWaalsContact CG1-CB 3.45Å; I643-M655 HydrophobicContact CG1-CG 4.36Å; V646-M655 HydrophobicContact CG2-CG 4.36Å; T651-M655 HydrophobicContact CG2-CE 4.23Å; T651-M655 WeakPolarHBondContact O-CG 3.19Å; T651-M655 PolarHBondContact O-N 3.21Å; Q652-M655 PolarHBondContact O-N 3.23Å; I653-M655 VanDerWaalsContact C-N 3.33Å; I653-M655 PolarHBondContact O-N 2.96Å; M655-F657 VanDerWaalsContact C-N 3.34Å; M655-L658 PolarHBondContact O-N 3.43Å; M655-L658 HydrophobicContact SD-CD2 4.44Å; M655-L659 WeakPolarHBondContact O-CB 3.26Å; M655-L659 PolarHBondContact O-N 2.7Å |
| 656 | L | 93.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.1 | -37.1 | 171.3 | -73.5 | 175.2 | 0 | 0 | 0 | 111.8 | I643 Q652 I653 Y654 L659 G660 L682 L685 L695 I699 | I643-L656 HydrophobicContact CD1-CD2 4.49Å; Q652-L656 WeakPolarHBondContact O-CG 3.48Å; Q652-L656 PolarHBondContact O-N 2.98Å; I653-L656 PolarHBondContact O-N 3.07Å; Y654-L656 VanDerWaalsContact C-N 3.34Å; Y654-L656 PolarHBondContact O-N 3.47Å; L656-L659 HydrophobicContact CD2-CD2 4.43Å; L656-L659 PolarHBondContact O-N 3.16Å; L656-G660 PolarHBondContact O-N 3.12Å; L656-L682 HydrophobicContact CD2-CD2 3.56Å; L656-L685 HydrophobicContact CD1-CD1 4.25Å; L656-L685 HydrophobicContact CD2-CD1 3.86Å; L656-L685 HydrophobicContact CG-CD1 4.24Å; L656-L695 HydrophobicContact CD1-CD1 3.72Å; L656-I699 HydrophobicContact CD1-CG1 3.77Å |
| 657 | F | 93.5 | Very high | 90.2 | Very high | 92 Ų | 92 | 40.7 Ų | 40.7 | 40% | 0.404 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.1 | -46.8 | 172.4 | 172.6 | -101.5 | 0 | 0 | 0 | 111.4 | T615 E619 I653 Y654 M655 L659 G660 K661 | T615-F657 HydrophobicContact CG2-CD1 4.09Å; T615-F657 HydrophobicContact CG2-CE1 3.71Å; E619-F657 WeakPolarHBondContact OE1-CE1 3.15Å; E619-F657 VanDerWaalsContact OE1-CZ 3.29Å; E619-F657 WeakPolarHBondContact OE1-CZ 3.23Å; I653-F657 PolarHBondContact O-N 2.96Å; Y654-F657 WeakPolarHBondContact O-CB 3.26Å; Y654-F657 PolarHBondContact O-N 2.83Å; M655-F657 VanDerWaalsContact C-N 3.34Å; F657-L659 PolarHBondContact O-N 3.26Å; F657-G660 PolarHBondContact O-N 2.94Å; F657-K661 HydrophobicContact CE1-CG 4.29Å; F657-K661 HydrophobicContact CZ-CD 4.39Å; F657-K661 HydrophobicContact CZ-CG 4.3Å; F657-K661 WeakPolarHBondContact O-CG 3.2Å; F657-K661 PolarHBondContact O-N 2.95Å |
| 658 | L | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59 | -46.2 | 173.7 | 173.1 | 57.3 | 0 | 0 | 0 | 111.8 | A611 L614 L618 T639 Y654 M655 G660 K661 L662 | A611-L658 HydrophobicContact CB-CD2 3.8Å; L614-L658 HydrophobicContact CB-CD1 4.44Å; L614-L658 HydrophobicContact CD2-CD1 3.91Å; L614-L658 HydrophobicContact CD2-CD2 4.26Å; L614-L658 HydrophobicContact CG-CD1 3.94Å; L618-L658 HydrophobicContact CD1-CD1 3.82Å; T639-L658 HydrophobicContact CG2-CD2 4.22Å; T639-L658 HydrophobicContact CG2-CG 4.2Å; Y654-L658 PolarHBondContact O-N 3.49Å; M655-L658 PolarHBondContact O-N 3.43Å; M655-L658 HydrophobicContact SD-CD2 4.44Å; L658-G660 VanDerWaalsContact C-N 3.3Å; L658-G660 PolarHBondContact O-N 3.3Å; L658-K661 WeakPolarHBondContact O-CB 3.24Å; L658-K661 PolarHBondContact O-N 2.86Å; L658-L662 HydrophobicContact CD1-CG 4.46Å; L658-L662 PolarHBondContact O-N 3.28Å |
| 659 | L | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.2 | -42.7 | 175.5 | 179 | 62.2 | 0 | 0 | 0 | 111.4 | L636 T639 L640 I643 M655 L656 F657 K661 L662 I663 I678 T702 | L636-L659 HydrophobicContact CD2-CD1 4.26Å; T639-L659 HydrophobicContact CG2-CB 4.18Å; L640-L659 HydrophobicContact CD2-CD1 4.38Å; L640-L659 HydrophobicContact CD2-CD2 4.14Å; I643-L659 HydrophobicContact CD1-CB 4.09Å; I643-L659 HydrophobicContact CD1-CD2 3.84Å; M655-L659 WeakPolarHBondContact O-CB 3.26Å; M655-L659 PolarHBondContact O-N 2.7Å; L656-L659 HydrophobicContact CD2-CD2 4.43Å; L656-L659 PolarHBondContact O-N 3.16Å; F657-L659 PolarHBondContact O-N 3.26Å; L659-K661 VanDerWaalsContact C-N 3.33Å; L659-K661 PolarHBondContact O-N 2.73Å; L659-L662 WeakPolarHBondContact O-CB 3.46Å; L659-L662 PolarHBondContact O-N 2.92Å; L659-L662 VanDerWaalsContact O-N 3.15Å; L659-I663 HydrophobicContact CD1-CD1 4.26Å; L659-I663 HydrophobicContact CD1-CG1 4.34Å; L659-I663 HydrophobicContact CD2-CD1 4.47Å; L659-I663 HydrophobicContact CG-CD1 3.84Å; L659-I663 HydrophobicContact CG-CG1 4.39Å; L659-I663 VanDerWaalsContact O-CG1 3.26Å; L659-I663 WeakPolarHBondContact O-CG1 3.24Å; L659-I663 PolarHBondContact O-N 2.64Å; L659-I678 HydrophobicContact CD2-CG2 4.5Å; L659-T702 HydrophobicContact CD2-CG2 4.21Å; L659-T702 HydrophobicContact CG-CG2 4.48Å |
| 660 | G | 93.1 | Very high | 89.1 | Confident | 6 Ų | 6 | 35.8 Ų | 35.8 | 6% | 0.062 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.8 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L656 F657 L658 I663 H664 | L656-G660 PolarHBondContact O-N 3.12Å; F657-G660 PolarHBondContact O-N 2.94Å; L658-G660 VanDerWaalsContact C-N 3.3Å; L658-G660 PolarHBondContact O-N 3.3Å; G660-I663 PolarHBondContact O-N 2.99Å; G660-H664 WeakPolarHBondContact O-CB 3.41Å; G660-H664 PolarHBondContact O-N 3.24Å |
| 661 | K | 92.3 | Very high | 88.9 | Confident | 65 Ų | 65 | 32.8 Ų | 32.8 | 28% | 0.283 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 173.9 | -67.1 | -69.7 | -173.2 | 173.4 | 0 | 112.3 | L618 F657 L658 L659 K665 | L618-K661 HydrophobicContact CD1-CB 3.98Å; F657-K661 HydrophobicContact CE1-CG 4.29Å; F657-K661 HydrophobicContact CZ-CD 4.39Å; F657-K661 HydrophobicContact CZ-CG 4.3Å; F657-K661 WeakPolarHBondContact O-CG 3.2Å; F657-K661 PolarHBondContact O-N 2.95Å; L658-K661 WeakPolarHBondContact O-CB 3.24Å; L658-K661 PolarHBondContact O-N 2.86Å; L659-K661 VanDerWaalsContact C-N 3.33Å; L659-K661 PolarHBondContact O-N 2.73Å; K661-K665 PolarHBondContact O-N 3.4Å |
| 662 | L | 93.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.3 | -43.4 | 175.6 | -70 | 174 | 0 | 0 | 0 | 111.6 | L614 L618 L635 L636 T639 L658 L659 H664 K665 I666 | L614-L662 HydrophobicContact CD2-CD2 4.48Å; L618-L662 HydrophobicContact CD1-CD2 3.76Å; L618-L662 HydrophobicContact CD1-CG 4.16Å; L635-L662 HydrophobicContact CB-CD1 4.47Å; L635-L662 HydrophobicContact CB-CD2 4.4Å; L636-L662 HydrophobicContact CD2-CB 4.13Å; L636-L662 HydrophobicContact CD2-CD1 4.43Å; T639-L662 HydrophobicContact CG2-CD1 4.3Å; T639-L662 WeakPolarHBondContact OG1-CD1 3.34Å; L658-L662 HydrophobicContact CD1-CG 4.46Å; L658-L662 PolarHBondContact O-N 3.28Å; L659-L662 WeakPolarHBondContact O-CB 3.46Å; L659-L662 PolarHBondContact O-N 2.92Å; L659-L662 VanDerWaalsContact O-N 3.15Å; L662-H664 VanDerWaalsContact C-N 3.31Å; L662-H664 PolarHBondContact O-N 3.3Å; L662-K665 PolarHBondContact O-N 2.81Å; L662-I666 HydrophobicContact CB-CD1 4.22Å; L662-I666 HydrophobicContact CD2-CD1 4.03Å; L662-I666 VanDerWaalsContact O-CB 3.24Å; L662-I666 WeakPolarHBondContact O-CB 3.37Å; L662-I666 WeakPolarHBondContact O-CG1 3.32Å; L662-I666 PolarHBondContact O-N 3.46Å |
| 663 | I | 89.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 176.6 | -69.8 | 163.6 | 0 | 0 | 0 | 110.8 | L659 G660 K665 I666 L668 T702 L706 E709 | L659-I663 HydrophobicContact CD1-CD1 4.26Å; L659-I663 HydrophobicContact CD1-CG1 4.34Å; L659-I663 HydrophobicContact CD2-CD1 4.47Å; L659-I663 HydrophobicContact CG-CD1 3.84Å; L659-I663 HydrophobicContact CG-CG1 4.39Å; L659-I663 VanDerWaalsContact O-CG1 3.26Å; L659-I663 WeakPolarHBondContact O-CG1 3.24Å; L659-I663 PolarHBondContact O-N 2.64Å; G660-I663 PolarHBondContact O-N 2.99Å; I663-K665 PolarHBondContact O-N 3.28Å; I663-I666 VanDerWaalsContact O-O 3.13Å; I663-L668 HydrophobicContact CB-CD1 4.4Å; I663-L668 HydrophobicContact CG1-CD1 4.16Å; I663-L668 HydrophobicContact CG2-CD1 3.89Å; I663-T702 HydrophobicContact CD1-CG2 3.73Å; I663-L706 HydrophobicContact CD1-CD1 4.47Å; I663-L706 HydrophobicContact CD1-CD2 3.69Å; I663-L706 HydrophobicContact CD1-CG 3.95Å; I663-L706 HydrophobicContact CG1-CD2 3.97Å; I663-L706 HydrophobicContact CG2-CD2 3.76Å; I663-L706 HydrophobicContact CG2-CG 4.36Å; I663-E709 HydrophobicContact CG2-CG 4.39Å |
| 664 | H | 87.1 | Confident | 87.7 | Confident | 119 Ų | 119 | 37.2 Ų | 37.2 | 55% | 0.551 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -70.3 | -29.8 | -178.3 | -173.2 | 54.8 | 0 | 0 | 0 | 113.5 | G660 L662 E709 | G660-H664 WeakPolarHBondContact O-CB 3.41Å; G660-H664 PolarHBondContact O-N 3.24Å; L662-H664 VanDerWaalsContact C-N 3.31Å; L662-H664 PolarHBondContact O-N 3.3Å; H664-E709 IonicContact CE1-OE1 2.72Å; H664-E709 IonicContact ND1-OE1 3.52Å; H664-E709 PolarHBondContact ND1-OE1 3.35Å |
| 665 | K | 87.8 | Confident | 87.1 | Confident | 46 Ų | 46 | 36.1 Ų | 36.1 | 20% | 0.2 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -97.3 | -19.2 | -177.9 | -71.2 | -176.9 | 172.4 | -110.3 | 0 | 114.5 | L618 E625 L628 K661 L662 I663 | L618-K665 HydrophobicContact CB-CD 4.39Å; L618-K665 HydrophobicContact CD2-CD 3.93Å; L618-K665 WeakPolarHBondContact O-CE 3.21Å; L618-K665 PolarHBondContact O-NZ 3.33Å; E625-K665 WeakPolarHBondContact OE1-CE 3.3Å; E625-K665 IonicContact OE1-NZ 3.23Å; E625-K665 PolarHBondContact OE1-NZ 3.2Å; L628-K665 HydrophobicContact CD1-CB 3.77Å; L628-K665 HydrophobicContact CD1-CD 4.23Å; K661-K665 PolarHBondContact O-N 3.4Å; L662-K665 PolarHBondContact O-N 2.81Å; I663-K665 PolarHBondContact O-N 3.28Å |
| 666 | I | 86.8 | Confident | 86.6 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 6% | 0.056 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -105.1 | 125.1 | -179.8 | -61.9 | 171.2 | 0 | 0 | 0 | 108.9 | A632 L636 L662 I663 L668 Y671 | A632-I666 HydrophobicContact CB-CD1 3.96Å; A632-I666 HydrophobicContact CB-CG1 4.45Å; A632-I666 HydrophobicContact CB-CG2 4.08Å; L636-I666 HydrophobicContact CD1-CD1 4.28Å; L636-I666 HydrophobicContact CD1-CG2 4.47Å; L636-I666 HydrophobicContact CD2-CD1 4.35Å; L636-I666 HydrophobicContact CG-CD1 4.11Å; L662-I666 HydrophobicContact CB-CD1 4.22Å; L662-I666 HydrophobicContact CD2-CD1 4.03Å; L662-I666 VanDerWaalsContact O-CB 3.24Å; L662-I666 WeakPolarHBondContact O-CB 3.37Å; L662-I666 WeakPolarHBondContact O-CG1 3.32Å; L662-I666 PolarHBondContact O-N 3.46Å; I663-I666 VanDerWaalsContact O-O 3.13Å; I666-L668 PolarHBondContact O-N 3.15Å; I666-Y671 HydrophobicContact CG2-CD2 3.91Å; I666-Y671 HydrophobicContact CG2-CE2 3.93Å |
| 667 | N | 81 | Confident | 86.4 | Confident | 74 Ų | 74 | 41.9 Ų | 41.9 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | trans | -66.8 | 97.7 | 172 | -176.7 | -9.8 | 0 | 0 | 0 | 110.8 | I669 V670 Y671 F713 | N667-I669 PolarHBondContact O-N 2.89Å; N667-I669 WeakPolarHBondContact OD1-CB 3.41Å; N667-I669 PolarHBondContact OD1-N 2.91Å; N667-V670 HydrophobicContact CB-CG2 4.18Å; N667-V670 PolarHBondContact O-N 3.33Å; N667-Y671 WeakPolarHBondContact O-CD2 3.35Å; N667-F713 WeakPolarHBondContact OD1-CE1 3.43Å; N667-F713 VanDerWaalsContact OD1-CZ 3.23Å; N667-F713 WeakPolarHBondContact OD1-CZ 3.43Å | ||
| 668 | L | 81.3 | Confident | 86.2 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -65.7 | -20.3 | -179.2 | -69.5 | 179.8 | 0 | 0 | 0 | 114.2 | L636 I663 I666 V670 Y671 I678 L706 F710 | L636-L668 HydrophobicContact CD1-CD2 4.23Å; I663-L668 HydrophobicContact CB-CD1 4.4Å; I663-L668 HydrophobicContact CG1-CD1 4.16Å; I663-L668 HydrophobicContact CG2-CD1 3.89Å; I666-L668 PolarHBondContact O-N 3.15Å; L668-V670 PolarHBondContact O-N 2.78Å; L668-Y671 CarbonylContact O-C 3.58Å; L668-Y671 PolarHBondContact O-N 2.98Å; L668-I678 HydrophobicContact CD1-CD1 4.39Å; L668-I678 HydrophobicContact CD2-CD1 4.23Å; L668-L706 HydrophobicContact CD1-CD2 3.36Å; L668-F710 HydrophobicContact CB-CZ 4.43Å |
| 669 | I | 77.4 | Confident | 85.7 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 20% | 0.2 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -65.1 | -31.2 | 175.5 | -68.5 | -171.3 | 0 | 0 | 0 | 111.2 | N667 Y671 P672 F710 F713 | N667-I669 PolarHBondContact O-N 2.89Å; N667-I669 WeakPolarHBondContact OD1-CB 3.41Å; N667-I669 PolarHBondContact OD1-N 2.91Å; I669-Y671 PolarHBondContact O-N 3.26Å; I669-P672 WeakPolarHBondContact O-CD 3.28Å; I669-F710 HydrophobicContact CG1-CD1 4.41Å; I669-F710 HydrophobicContact CG1-CE1 4.25Å; I669-F713 HydrophobicContact CB-CE1 4.42Å; I669-F713 HydrophobicContact CB-CZ 4.22Å; I669-F713 HydrophobicContact CD1-CB 4.07Å; I669-F713 HydrophobicContact CD1-CD1 3.57Å; I669-F713 HydrophobicContact CD1-CD2 3.19Å; I669-F713 HydrophobicContact CD1-CE1 3.7Å; I669-F713 HydrophobicContact CD1-CE2 3.36Å; I669-F713 HydrophobicContact CD1-CG 3.32Å; I669-F713 HydrophobicContact CD1-CZ 3.62Å; I669-F713 HydrophobicContact CG1-CD1 4.41Å; I669-F713 HydrophobicContact CG1-CD2 3.92Å; I669-F713 HydrophobicContact CG1-CE1 4.05Å; I669-F713 HydrophobicContact CG1-CE2 3.52Å; I669-F713 HydrophobicContact CG1-CG 4.36Å; I669-F713 HydrophobicContact CG1-CZ 3.6Å |
| 670 | V | 80.2 | Confident | 85.3 | Confident | 90 Ų | 90 | 44.2 Ų | 44.2 | 55% | 0.545 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -70.2 | -22.7 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | N667 L668 P672 | N667-V670 HydrophobicContact CB-CG2 4.18Å; N667-V670 PolarHBondContact O-N 3.33Å; L668-V670 PolarHBondContact O-N 2.78Å; V670-P672 WeakPolarHBondContact O-CD 3.14Å |
| 671 | Y | 83.4 | Confident | 85.1 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 13% | 0.125 | 23% | 0.232 | C | C | . | . | trans | -123.1 | 59.6 | -176.2 | -55.7 | -86.8 | 0 | 0 | 0 | 112.6 | V629 A632 I666 N667 L668 I669 Q673 F674 | V629-Y671 WeakPolarHBondContact CG1-OH 3.3Å; V629-Y671 PolarHBondContact O-OH 3.02Å; A632-Y671 HydrophobicContact CB-CE1 4.27Å; A632-Y671 HydrophobicContact CB-CE2 3.98Å; I666-Y671 HydrophobicContact CG2-CD2 3.91Å; I666-Y671 HydrophobicContact CG2-CE2 3.93Å; N667-Y671 WeakPolarHBondContact O-CD2 3.35Å; L668-Y671 CarbonylContact O-C 3.58Å; L668-Y671 PolarHBondContact O-N 2.98Å; I669-Y671 PolarHBondContact O-N 3.26Å; Y671-Q673 VanDerWaalsContact CA-OE1 3.29Å; Y671-Q673 PolarHBondContact O-N 2.91Å; Y671-F674 PolarHBondContact O-N 3.5Å; Y671-F674 VanDerWaalsContact O-N 3.07Å | ||
| 672 | P | 77.4 | Confident | 85 | Confident | 57 Ų | 57 | 41.2 Ų | 41.2 | 37% | 0.37 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -61.2 | -20.7 | -174.6 | 27.2 | -35.2 | 0 | 0 | 0 | 113.4 | I669 V670 F674 I675 L719 | I669-P672 WeakPolarHBondContact O-CD 3.28Å; V670-P672 WeakPolarHBondContact O-CD 3.14Å; P672-F674 PolarHBondContact O-N 2.9Å; P672-I675 HydrophobicContact CB-CD1 4.27Å; P672-I675 WeakPolarHBondContact O-CB 3.23Å; P672-I675 WeakPolarHBondContact O-CG1 3.29Å; P672-I675 PolarHBondContact O-N 3.48Å; P672-L719 HydrophobicContact CB-CD1 4.21Å; P672-L719 HydrophobicContact CG-CD1 4.43Å |
| 673 | Q | 83.1 | Confident | 84.6 | Confident | 96 Ų | 96 | 45.5 Ų | 45.5 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -63.8 | -21.7 | 176.3 | 69.6 | -83.8 | 20.9 | 0 | 0 | 114.2 | Y671 P677 | Y671-Q673 VanDerWaalsContact CA-OE1 3.29Å; Y671-Q673 PolarHBondContact O-N 2.91Å; Q673-P677 WeakPolarHBondContact O-CD 3.39Å; Q673-P677 VanDerWaalsContact O-CG 3.31Å; Q673-P677 WeakPolarHBondContact O-CG 3.46Å |
| 674 | F | 86 | Confident | 84.5 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -87.1 | -19 | -179.1 | -80.5 | -82 | 0 | 0 | 0 | 114.2 | E633 L636 N637 L640 Y671 P672 T676 P677 I678 | E633-F674 HydrophobicContact CB-CE2 4.03Å; E633-F674 HydrophobicContact CB-CZ 4Å; E633-F674 HydrophobicContact CG-CE2 4.13Å; E633-F674 HydrophobicContact CG-CZ 3.85Å; E633-F674 WeakPolarHBondContact O-CZ 3.49Å; L636-F674 HydrophobicContact CB-CD1 3.6Å; L636-F674 HydrophobicContact CB-CE1 3.47Å; L636-F674 VanDerWaalsContact CB-CE1 3.47Å; L636-F674 HydrophobicContact CB-CG 4.26Å; L636-F674 HydrophobicContact CB-CZ 4.04Å; L636-F674 HydrophobicContact CD1-CB 4.3Å; L636-F674 HydrophobicContact CD1-CD1 4.07Å; L636-F674 HydrophobicContact CD1-CD2 4.03Å; L636-F674 HydrophobicContact CD1-CE1 4.4Å; L636-F674 HydrophobicContact CD1-CE2 4.36Å; L636-F674 HydrophobicContact CD1-CG 3.85Å; L636-F674 HydrophobicContact CG-CD1 4.44Å; N637-F674 HydrophobicContact CB-CE1 4.37Å; N637-F674 WeakPolarHBondContact OD1-CE1 3.39Å; L640-F674 HydrophobicContact CD1-CD1 4.19Å; Y671-F674 PolarHBondContact O-N 3.5Å; Y671-F674 VanDerWaalsContact O-N 3.07Å; P672-F674 PolarHBondContact O-N 2.9Å; F674-T676 PolarHBondContact O-N 3.27Å; F674-P677 VanDerWaalsContact O-CD 3.32Å; F674-P677 WeakPolarHBondContact O-CD 3.08Å; F674-I678 HydrophobicContact CB-CD1 4.19Å; F674-I678 WeakPolarHBondContact O-CB 3.23Å; F674-I678 WeakPolarHBondContact O-CD1 3.44Å; F674-I678 WeakPolarHBondContact O-CG1 3.31Å; F674-I678 PolarHBondContact O-N 3.01Å |
| 675 | I | 80.6 | Confident | 84.5 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.5 | -55 | -178.2 | -66.6 | -179 | 0 | 0 | 0 | 110.8 | P672 I678 L679 F710 F723 | P672-I675 HydrophobicContact CB-CD1 4.27Å; P672-I675 WeakPolarHBondContact O-CB 3.23Å; P672-I675 WeakPolarHBondContact O-CG1 3.29Å; P672-I675 PolarHBondContact O-N 3.48Å; I675-I678 PolarHBondContact O-N 3.15Å; I675-L679 HydrophobicContact CG2-CD1 4.18Å; I675-L679 WeakPolarHBondContact O-CG 3.18Å; I675-L679 PolarHBondContact O-N 3.07Å; I675-F710 HydrophobicContact CD1-CE1 3.92Å; I675-F710 HydrophobicContact CD1-CZ 3.65Å; I675-F710 HydrophobicContact CG1-CZ 3.98Å; I675-F723 HydrophobicContact CB-CE2 4.4Å; I675-F723 HydrophobicContact CD1-CD2 4.46Å; I675-F723 HydrophobicContact CD1-CE2 4.11Å; I675-F723 HydrophobicContact CD1-CZ 4.32Å; I675-F723 HydrophobicContact CG2-CD2 4.06Å; I675-F723 HydrophobicContact CG2-CE2 3.09Å; I675-F723 HydrophobicContact CG2-CZ 3.61Å |
| 676 | T | 82.7 | Confident | 84.4 | Confident | 75 Ų | 75 | 43.2 Ų | 43.2 | 46% | 0.46 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.4 | -46.7 | -179.6 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | F674 I678 L679 N680 | F674-T676 PolarHBondContact O-N 3.27Å; T676-I678 PolarHBondContact O-N 3.01Å; T676-L679 PolarHBondContact O-N 2.9Å; T676-N680 VanDerWaalsContact O-CB 3.32Å; T676-N680 WeakPolarHBondContact O-CB 3.31Å; T676-N680 PolarHBondContact O-N 2.77Å; T676-N680 PolarHBondContact O-ND2 2.89Å |
| 677 | P | 88 | Confident | 84.2 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 31% | 0.305 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -55.4 | -42.6 | 171.2 | -29.2 | 34.2 | 0 | 0 | 0 | 115.3 | L640 Q673 F674 N680 T681 | L640-P677 HydrophobicContact CD1-CB 4Å; Q673-P677 WeakPolarHBondContact O-CD 3.39Å; Q673-P677 VanDerWaalsContact O-CG 3.31Å; Q673-P677 WeakPolarHBondContact O-CG 3.46Å; F674-P677 VanDerWaalsContact O-CD 3.32Å; F674-P677 WeakPolarHBondContact O-CD 3.08Å; P677-N680 PolarHBondContact O-N 2.86Å; P677-T681 WeakPolarHBondContact O-CB 3.33Å; P677-T681 PolarHBondContact O-N 3.13Å; P677-T681 PolarHBondContact O-OG1 2.87Å |
| 678 | I | 89 | Confident | 84.1 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -52.6 | 177 | -69.7 | 164.3 | 0 | 0 | 0 | 109.2 | L640 L659 L668 F674 I675 T676 N680 T681 L682 L706 | L640-I678 HydrophobicContact CD1-CG1 4.07Å; L640-I678 HydrophobicContact CD2-CG1 4.08Å; L659-I678 HydrophobicContact CD2-CG2 4.5Å; L668-I678 HydrophobicContact CD1-CD1 4.39Å; L668-I678 HydrophobicContact CD2-CD1 4.23Å; F674-I678 HydrophobicContact CB-CD1 4.19Å; F674-I678 WeakPolarHBondContact O-CB 3.23Å; F674-I678 WeakPolarHBondContact O-CD1 3.44Å; F674-I678 WeakPolarHBondContact O-CG1 3.31Å; F674-I678 PolarHBondContact O-N 3.01Å; I675-I678 PolarHBondContact O-N 3.15Å; T676-I678 PolarHBondContact O-N 3.01Å; I678-N680 VanDerWaalsContact C-N 3.31Å; I678-N680 PolarHBondContact O-N 3.27Å; I678-T681 PolarHBondContact O-N 3.21Å; I678-T681 VanDerWaalsContact O-N 3.14Å; I678-L682 HydrophobicContact CG2-CD1 3.85Å; I678-L682 HydrophobicContact CG2-CG 4.34Å; I678-L682 VanDerWaalsContact O-CG 3.31Å; I678-L682 WeakPolarHBondContact O-CG 3.21Å; I678-L682 PolarHBondContact O-N 3.03Å; I678-L706 HydrophobicContact CG2-CD1 3.63Å; I678-L706 HydrophobicContact CG2-CD2 4.41Å |
| 679 | L | 84.8 | Confident | 83.8 | Confident | 45 Ų | 45 | 49.5 Ų | 49.5 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.3 | -40.2 | 179.3 | -67.3 | 175.9 | 0 | 0 | 0 | 112.2 | I675 T676 L682 N683 L706 I727 | I675-L679 HydrophobicContact CG2-CD1 4.18Å; I675-L679 WeakPolarHBondContact O-CG 3.18Å; I675-L679 PolarHBondContact O-N 3.07Å; T676-L679 PolarHBondContact O-N 2.9Å; L679-L682 PolarHBondContact O-N 3.15Å; L679-N683 VanDerWaalsContact O-CB 3.24Å; L679-N683 WeakPolarHBondContact O-CB 3.35Å; L679-N683 PolarHBondContact O-N 3.17Å; L679-L706 HydrophobicContact CD2-CD1 4.43Å; L679-I727 HydrophobicContact CD1-CD1 4.14Å; L679-I727 HydrophobicContact CD1-CG1 4.22Å; L679-I727 HydrophobicContact CD2-CD1 4.5Å |
| 680 | N | 87.2 | Confident | 83.3 | Confident | 96 Ų | 96 | 49.3 Ų | 49.3 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 176.2 | -74.7 | -19.8 | 0 | 0 | 0 | 112.1 | T676 P677 I678 N683 H684 | T676-N680 VanDerWaalsContact O-CB 3.32Å; T676-N680 WeakPolarHBondContact O-CB 3.31Å; T676-N680 PolarHBondContact O-N 2.77Å; T676-N680 PolarHBondContact O-ND2 2.89Å; P677-N680 PolarHBondContact O-N 2.86Å; I678-N680 VanDerWaalsContact C-N 3.31Å; I678-N680 PolarHBondContact O-N 3.27Å; N680-N683 PolarHBondContact O-N 3.28Å; N680-H684 VanDerWaalsContact O-CB 3.32Å; N680-H684 WeakPolarHBondContact O-CB 3.28Å; N680-H684 PolarHBondContact O-N 2.9Å |
| 681 | T | 88.7 | Confident | 82.7 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.2 | -44.8 | 178 | -58.9 | 0 | 0 | 0 | 0 | 110.7 | L640 I643 Q644 P677 I678 N683 H684 L685 | L640-T681 HydrophobicContact CD2-CG2 4.13Å; I643-T681 HydrophobicContact CB-CG2 4.3Å; I643-T681 HydrophobicContact CG2-CG2 3.65Å; Q644-T681 HydrophobicContact CG-CG2 4.24Å; Q644-T681 PolarHBondContact NE2-OG1 2.99Å; P677-T681 WeakPolarHBondContact O-CB 3.33Å; P677-T681 PolarHBondContact O-N 3.13Å; P677-T681 PolarHBondContact O-OG1 2.87Å; I678-T681 PolarHBondContact O-N 3.21Å; I678-T681 VanDerWaalsContact O-N 3.14Å; T681-N683 PolarHBondContact O-N 3.42Å; T681-H684 PolarHBondContact O-N 3.14Å; T681-L685 WeakPolarHBondContact O-CG 3.43Å; T681-L685 PolarHBondContact O-N 3.42Å |
| 682 | L | 89.4 | Confident | 82.7 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 175.7 | -65.2 | 175.3 | 0 | 0 | 0 | 111.8 | L656 I678 L679 L685 W686 I699 T702 V703 L706 | L656-L682 HydrophobicContact CD2-CD2 3.56Å; I678-L682 HydrophobicContact CG2-CD1 3.85Å; I678-L682 HydrophobicContact CG2-CG 4.34Å; I678-L682 VanDerWaalsContact O-CG 3.31Å; I678-L682 WeakPolarHBondContact O-CG 3.21Å; I678-L682 PolarHBondContact O-N 3.03Å; L679-L682 PolarHBondContact O-N 3.15Å; L682-L685 PolarHBondContact O-N 3.32Å; L682-W686 VanDerWaalsContact O-CB 3.29Å; L682-W686 WeakPolarHBondContact O-CB 3.4Å; L682-W686 PolarHBondContact O-N 3.03Å; L682-I699 HydrophobicContact CB-CG2 4.22Å; L682-I699 HydrophobicContact CD2-CG2 4.29Å; L682-T702 HydrophobicContact CD1-CG2 4.11Å; L682-T702 HydrophobicContact CD2-CG2 4.01Å; L682-V703 HydrophobicContact CD1-CG2 3.81Å; L682-L706 HydrophobicContact CD1-CD1 3.91Å |
| 683 | N | 86 | Confident | 83.1 | Confident | 90 Ų | 90 | 49.8 Ų | 49.8 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 174.8 | -176.4 | 41.3 | 0 | 0 | 0 | 111.9 | L679 N680 T681 W686 N687 | L679-N683 VanDerWaalsContact O-CB 3.24Å; L679-N683 WeakPolarHBondContact O-CB 3.35Å; L679-N683 PolarHBondContact O-N 3.17Å; N680-N683 PolarHBondContact O-N 3.28Å; T681-N683 PolarHBondContact O-N 3.42Å; N683-W686 PolarHBondContact O-N 3.45Å; N683-N687 VanDerWaalsContact O-CG 3.32Å; N683-N687 PolarHBondContact O-N 3.1Å; N683-N687 PolarHBondContact O-ND2 3.2Å |
| 684 | H | 86.8 | Confident | 83.3 | Confident | 95 Ų | 95 | 47.7 Ų | 47.7 | 44% | 0.44 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.2 | -49.6 | 175.2 | -177 | 61.6 | 0 | 0 | 0 | 111.5 | N680 T681 W686 N687 L688 | N680-H684 VanDerWaalsContact O-CB 3.32Å; N680-H684 WeakPolarHBondContact O-CB 3.28Å; N680-H684 PolarHBondContact O-N 2.9Å; T681-H684 PolarHBondContact O-N 3.14Å; H684-W686 VanDerWaalsContact C-N 3.31Å; H684-W686 PolarHBondContact O-N 3Å; H684-N687 PolarHBondContact O-N 3.36Å; H684-L688 WeakPolarHBondContact NE2-CD1 3.22Å; H684-L688 PolarHBondContact O-N 3.39Å |
| 685 | L | 87.4 | Confident | 83.4 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 174.6 | -73.1 | 178 | 0 | 0 | 0 | 112 | I643 Q652 L656 T681 L682 N687 L688 S689 I699 | I643-L685 HydrophobicContact CG2-CD1 3.45Å; I643-L685 VanDerWaalsContact CG2-CD1 3.45Å; I643-L685 HydrophobicContact CG2-CD2 4.11Å; I643-L685 HydrophobicContact CG2-CG 4.03Å; Q652-L685 HydrophobicContact CG-CD2 4.49Å; L656-L685 HydrophobicContact CD1-CD1 4.25Å; L656-L685 HydrophobicContact CD2-CD1 3.86Å; L656-L685 HydrophobicContact CG-CD1 4.24Å; T681-L685 WeakPolarHBondContact O-CG 3.43Å; T681-L685 PolarHBondContact O-N 3.42Å; L682-L685 PolarHBondContact O-N 3.32Å; L685-N687 VanDerWaalsContact C-N 3.28Å; L685-N687 PolarHBondContact O-N 2.8Å; L685-L688 PolarHBondContact O-N 3.16Å; L685-L688 VanDerWaalsContact O-N 3.17Å; L685-S689 WeakPolarHBondContact O-CB 3.46Å; L685-S689 PolarHBondContact O-N 3.32Å; L685-S689 PolarHBondContact O-OG 3.13Å; L685-I699 HydrophobicContact CB-CD1 3.79Å; L685-I699 HydrophobicContact CB-CG1 4.43Å |
| 686 | W | 85.4 | Confident | 83.8 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 8% | 0.08 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 176.8 | -176.3 | -93 | 0 | 0 | 0 | 111.4 | L682 N683 H684 S689 R696 I699 L700 L734 S738 | L682-W686 VanDerWaalsContact O-CB 3.29Å; L682-W686 WeakPolarHBondContact O-CB 3.4Å; L682-W686 PolarHBondContact O-N 3.03Å; N683-W686 PolarHBondContact O-N 3.45Å; H684-W686 VanDerWaalsContact C-N 3.31Å; H684-W686 PolarHBondContact O-N 3Å; W686-S689 WeakPolarHBondContact CA-OG 3.39Å; W686-S689 PolarHBondContact O-N 3.45Å; W686-S689 PolarHBondContact O-OG 3.16Å; W686-R696 HydrophobicContact CD2-CG 4.49Å; W686-R696 HydrophobicContact CE3-CB 4.24Å; W686-R696 HydrophobicContact CE3-CG 3.87Å; W686-R696 HydrophobicContact CH2-CB 4.21Å; W686-R696 HydrophobicContact CH2-CG 4.15Å; W686-R696 HydrophobicContact CZ3-CB 3.66Å; W686-R696 HydrophobicContact CZ3-CG 3.68Å; W686-I699 HydrophobicContact CB-CD1 4.28Å; W686-I699 HydrophobicContact CE3-CB 4.32Å; W686-I699 HydrophobicContact CE3-CD1 4.21Å; W686-I699 HydrophobicContact CE3-CG2 4.02Å; W686-L700 HydrophobicContact CZ3-CD2 4.29Å; W686-L700 HydrophobicContact CZ3-CG 4.16Å; W686-L734 HydrophobicContact CD2-CD1 3.88Å; W686-L734 HydrophobicContact CE3-CD1 3.9Å; W686-L734 HydrophobicContact CH2-CD1 3.57Å; W686-L734 HydrophobicContact CZ2-CD1 3.54Å; W686-L734 HydrophobicContact CZ3-CD1 3.74Å; W686-S738 WeakPolarHBondContact CH2-OG 3.22Å |
| 687 | N | 83.4 | Confident | 84.1 | Confident | 109 Ų | 109 | 44.6 Ų | 44.6 | 58% | 0.583 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -68.9 | -34.5 | 177.1 | -67.4 | -42 | 0 | 0 | 0 | 113.1 | N683 H684 L685 | N683-N687 VanDerWaalsContact O-CG 3.32Å; N683-N687 PolarHBondContact O-N 3.1Å; N683-N687 PolarHBondContact O-ND2 3.2Å; H684-N687 PolarHBondContact O-N 3.36Å; L685-N687 VanDerWaalsContact C-N 3.28Å; L685-N687 PolarHBondContact O-N 2.8Å |
| 688 | L | 77.8 | Confident | 84.3 | Confident | 108 Ų | 108 | 43.4 Ų | 43.4 | 57% | 0.565 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -75.2 | -32.6 | 175.6 | -68.5 | 178.6 | 0 | 0 | 0 | 113 | H684 L685 G690 | H684-L688 WeakPolarHBondContact NE2-CD1 3.22Å; H684-L688 PolarHBondContact O-N 3.39Å; L685-L688 PolarHBondContact O-N 3.16Å; L685-L688 VanDerWaalsContact O-N 3.17Å; L688-G690 PolarHBondContact O-N 3.31Å |
| 689 | S | 74.6 | Confident | 84.4 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | trans | -69.6 | 19.6 | -174.8 | 71.6 | 0 | 0 | 0 | 0 | 115.2 | L685 W686 L691 S692 R696 | L685-S689 WeakPolarHBondContact O-CB 3.46Å; L685-S689 PolarHBondContact O-N 3.32Å; L685-S689 PolarHBondContact O-OG 3.13Å; W686-S689 WeakPolarHBondContact CA-OG 3.39Å; W686-S689 PolarHBondContact O-N 3.45Å; W686-S689 PolarHBondContact O-OG 3.16Å; S689-L691 PolarHBondContact O-N 2.91Å; S689-S692 PolarHBondContact O-N 3.23Å; S689-R696 PolarHBondContact O-NE 2.68Å; S689-R696 WeakPolarHBondContact OG-CG 3.41Å; S689-R696 PolarHBondContact OG-NE 3.37Å; S689-R696 VanDerWaalsContact OG-NE 3.12Å | ||
| 690 | G | 67.5 | Low | 84.7 | Confident | 35 Ų | 35 | 41.3 Ų | 41.3 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.4 | -27.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L688 | L688-G690 PolarHBondContact O-N 3.31Š|
| 691 | L | 68.1 | Low | 85 | Confident | 160 Ų | 160 | 39.5 Ų | 39.5 | 84% | 0.838 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116 | -11.2 | -175.2 | -60.1 | 172.5 | 0 | 0 | 0 | 115.5 | S689 | S689-L691 PolarHBondContact O-N 2.91Š|
| 692 | S | 83.4 | Confident | 85.1 | Confident | 24 Ų | 24 | 39.5 Ų | 39.5 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | trans | -109.2 | 101.5 | -173.7 | -179.7 | 0 | 0 | 0 | 0 | 112.4 | S689 A694 L695 R696 | S689-S692 PolarHBondContact O-N 3.23Å; S692-A694 VanDerWaalsContact C-N 3.3Å; S692-A694 PolarHBondContact O-N 2.68Å; S692-L695 PolarHBondContact O-N 3.44Å; S692-L695 WeakPolarHBondContact OG-CB 3.23Å; S692-L695 PolarHBondContact OG-N 3.45Å; S692-R696 PolarHBondContact O-N 2.89Å; S692-R696 VanDerWaalsContact O-N 3.16Å | ||
| 693 | A | 85.4 | Confident | 85.2 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 5% | 0.05 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -35.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R696 A697 G749 L753 | A693-R696 PolarHBondContact O-N 3.24Å; A693-A697 WeakPolarHBondContact O-CB 3.35Å; A693-A697 PolarHBondContact O-N 3.36Å; A693-G749 VanDerWaalsContact CB-C 3.44Å; A693-G749 WeakPolarHBondContact CB-O 3.4Å; A693-L753 WeakPolarHBondContact O-CD2 3.46Å |
| 694 | A | 86.3 | Confident | 85.5 | Confident | 51 Ų | 51 | 36.2 Ų | 36.2 | 42% | 0.421 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I653 S692 A697 S698 | I653-A694 HydrophobicContact CD1-CB 3.82Å; S692-A694 VanDerWaalsContact C-N 3.3Å; S692-A694 PolarHBondContact O-N 2.68Å; A694-A697 PolarHBondContact O-N 3.11Å; A694-S698 PolarHBondContact O-N 3.26Å; A694-S698 PolarHBondContact O-OG 3.42Å |
| 695 | L | 88.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.4 | -44.5 | 174.8 | 179.7 | 59.9 | 0 | 0 | 0 | 110.9 | Q652 I653 L656 S692 A697 S698 I699 | Q652-L695 HydrophobicContact CB-CD1 3.79Å; I653-L695 HydrophobicContact CG1-CB 4.37Å; I653-L695 HydrophobicContact CG1-CD1 4.06Å; L656-L695 HydrophobicContact CD1-CD1 3.72Å; S692-L695 PolarHBondContact O-N 3.44Å; S692-L695 WeakPolarHBondContact OG-CB 3.23Å; S692-L695 PolarHBondContact OG-N 3.45Å; L695-A697 PolarHBondContact O-N 2.99Å; L695-S698 WeakPolarHBondContact O-CB 3.37Å; L695-S698 PolarHBondContact O-N 3.35Å; L695-S698 VanDerWaalsContact O-N 3.14Å; L695-I699 HydrophobicContact CG-CD1 4.27Å; L695-I699 WeakPolarHBondContact O-CG1 3.42Å; L695-I699 PolarHBondContact O-N 2.93Å |
| 696 | R | 89.4 | Confident | 85.7 | Confident | 22 Ų | 22 | 34.9 Ų | 34.9 | 8% | 0.083 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -42 | 175.1 | -76.4 | -172 | 179.5 | -173.2 | 4 | 112.9 | W686 S689 S692 A693 S698 I699 L700 Q741 L753 | W686-R696 HydrophobicContact CD2-CG 4.49Å; W686-R696 HydrophobicContact CE3-CB 4.24Å; W686-R696 HydrophobicContact CE3-CG 3.87Å; W686-R696 HydrophobicContact CH2-CB 4.21Å; W686-R696 HydrophobicContact CH2-CG 4.15Å; W686-R696 HydrophobicContact CZ3-CB 3.66Å; W686-R696 HydrophobicContact CZ3-CG 3.68Å; S689-R696 PolarHBondContact O-NE 2.68Å; S689-R696 WeakPolarHBondContact OG-CG 3.41Å; S689-R696 PolarHBondContact OG-NE 3.37Å; S689-R696 VanDerWaalsContact OG-NE 3.12Å; S692-R696 PolarHBondContact O-N 2.89Å; S692-R696 VanDerWaalsContact O-N 3.16Å; A693-R696 PolarHBondContact O-N 3.24Å; R696-S698 VanDerWaalsContact C-N 3.28Å; R696-S698 PolarHBondContact O-N 3.48Å; R696-I699 WeakPolarHBondContact O-CB 3.33Å; R696-I699 PolarHBondContact O-N 3.08Å; R696-L700 WeakPolarHBondContact O-CG 3.4Å; R696-L700 PolarHBondContact O-N 3.1Å; R696-Q741 VanDerWaalsContact NH1-CD 3.29Å; R696-Q741 VanDerWaalsContact NH1-NE2 3.11Å; R696-L753 HydrophobicContact CB-CD2 3.44Å; R696-L753 VanDerWaalsContact CB-CD2 3.44Å |
| 697 | A | 89.7 | Confident | 85.8 | Confident | 11 Ų | 11 | 34.1 Ų | 34.1 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.7 | -41.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A693 A694 L695 L700 N701 L753 P756 | A693-A697 WeakPolarHBondContact O-CB 3.35Å; A693-A697 PolarHBondContact O-N 3.36Å; A694-A697 PolarHBondContact O-N 3.11Å; L695-A697 PolarHBondContact O-N 2.99Å; A697-L700 PolarHBondContact O-N 3.15Å; A697-N701 PolarHBondContact O-N 3.48Å; A697-N701 PolarHBondContact O-ND2 3.27Å; A697-L753 HydrophobicContact CB-CD2 4.33Å; A697-P756 HydrophobicContact CB-CG 3.85Å |
| 698 | S | 90.8 | Very high | 86.1 | Confident | 22 Ų | 22 | 32 Ų | 32 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.8 | -37.5 | 176.9 | -57 | 0 | 0 | 0 | 0 | 112.5 | A694 L695 R696 N701 T702 | A694-S698 PolarHBondContact O-N 3.26Å; A694-S698 PolarHBondContact O-OG 3.42Å; L695-S698 WeakPolarHBondContact O-CB 3.37Å; L695-S698 PolarHBondContact O-N 3.35Å; L695-S698 VanDerWaalsContact O-N 3.14Å; R696-S698 VanDerWaalsContact C-N 3.28Å; R696-S698 PolarHBondContact O-N 3.48Å; S698-N701 PolarHBondContact O-N 2.93Å; S698-T702 PolarHBondContact O-N 3.32Å; S698-T702 PolarHBondContact O-OG1 2.89Å |
| 699 | I | 91.2 | Very high | 86.3 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 171.6 | -65.6 | 165 | 0 | 0 | 0 | 110 | L656 L682 L685 W686 L695 R696 N701 T702 V703 | L656-I699 HydrophobicContact CD1-CG1 3.77Å; L682-I699 HydrophobicContact CB-CG2 4.22Å; L682-I699 HydrophobicContact CD2-CG2 4.29Å; L685-I699 HydrophobicContact CB-CD1 3.79Å; L685-I699 HydrophobicContact CB-CG1 4.43Å; W686-I699 HydrophobicContact CB-CD1 4.28Å; W686-I699 HydrophobicContact CE3-CB 4.32Å; W686-I699 HydrophobicContact CE3-CD1 4.21Å; W686-I699 HydrophobicContact CE3-CG2 4.02Å; L695-I699 HydrophobicContact CG-CD1 4.27Å; L695-I699 WeakPolarHBondContact O-CG1 3.42Å; L695-I699 PolarHBondContact O-N 2.93Å; R696-I699 WeakPolarHBondContact O-CB 3.33Å; R696-I699 PolarHBondContact O-N 3.08Å; I699-N701 VanDerWaalsContact C-N 3.34Å; I699-N701 PolarHBondContact O-N 2.99Å; I699-T702 WeakPolarHBondContact O-CB 3.44Å; I699-T702 PolarHBondContact O-N 3.05Å; I699-T702 VanDerWaalsContact O-N 3.12Å; I699-V703 HydrophobicContact CG2-CG2 4.4Å; I699-V703 WeakPolarHBondContact O-CG2 3.39Å; I699-V703 PolarHBondContact O-N 3.42Å |
| 700 | L | 92.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 177.6 | -70 | 171 | 0 | 0 | 0 | 112 | W686 R696 A697 T702 V703 C704 L734 L753 P756 A757 L760 | W686-L700 HydrophobicContact CZ3-CD2 4.29Å; W686-L700 HydrophobicContact CZ3-CG 4.16Å; R696-L700 WeakPolarHBondContact O-CG 3.4Å; R696-L700 PolarHBondContact O-N 3.1Å; A697-L700 PolarHBondContact O-N 3.15Å; L700-T702 VanDerWaalsContact C-N 3.32Å; L700-T702 PolarHBondContact O-N 2.84Å; L700-V703 PolarHBondContact O-N 2.86Å; L700-C704 VanDerWaalsContact O-CB 3.27Å; L700-C704 WeakPolarHBondContact O-CB 3.4Å; L700-C704 PolarHBondContact O-N 3.41Å; L700-L734 HydrophobicContact CD2-CD1 4.14Å; L700-L734 HydrophobicContact CD2-CD2 3.71Å; L700-L734 HydrophobicContact CD2-CG 3.59Å; L700-L753 HydrophobicContact CD1-CB 4.42Å; L700-L753 HydrophobicContact CD1-CD2 4.22Å; L700-P756 HydrophobicContact CB-CB 3.63Å; L700-P756 HydrophobicContact CD1-CB 3.93Å; L700-P756 HydrophobicContact CG-CB 4.44Å; L700-A757 HydrophobicContact CD1-CB 4.35Å; L700-L760 HydrophobicContact CD2-CD2 3.81Å |
| 701 | N | 92.6 | Very high | 87.5 | Confident | 57 Ų | 57 | 28.1 Ų | 28.1 | 31% | 0.305 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 175.1 | -74 | -27.8 | 0 | 0 | 0 | 111.9 | A697 S698 I699 C704 L705 | A697-N701 PolarHBondContact O-N 3.48Å; A697-N701 PolarHBondContact O-ND2 3.27Å; S698-N701 PolarHBondContact O-N 2.93Å; I699-N701 VanDerWaalsContact C-N 3.34Å; I699-N701 PolarHBondContact O-N 2.99Å; N701-C704 WeakPolarHBondContact O-CB 3.4Å; N701-C704 PolarHBondContact O-N 3.06Å; N701-L705 WeakPolarHBondContact O-CG 3.27Å; N701-L705 PolarHBondContact O-N 3.28Å |
| 702 | T | 91.4 | Very high | 88.1 | Confident | 4 Ų | 4 | 22.6 Ų | 22.6 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.7 | -42.2 | 177.6 | -51.1 | 0 | 0 | 0 | 0 | 111.3 | L659 I663 L682 S698 I699 L700 C704 L705 L706 | L659-T702 HydrophobicContact CD2-CG2 4.21Å; L659-T702 HydrophobicContact CG-CG2 4.48Å; I663-T702 HydrophobicContact CD1-CG2 3.73Å; L682-T702 HydrophobicContact CD1-CG2 4.11Å; L682-T702 HydrophobicContact CD2-CG2 4.01Å; S698-T702 PolarHBondContact O-N 3.32Å; S698-T702 PolarHBondContact O-OG1 2.89Å; I699-T702 WeakPolarHBondContact O-CB 3.44Å; I699-T702 PolarHBondContact O-N 3.05Å; I699-T702 VanDerWaalsContact O-N 3.12Å; L700-T702 VanDerWaalsContact C-N 3.32Å; L700-T702 PolarHBondContact O-N 2.84Å; T702-C704 VanDerWaalsContact C-N 3.35Å; T702-L705 PolarHBondContact O-N 3.44Å; T702-L706 WeakPolarHBondContact O-CG 3.46Å; T702-L706 PolarHBondContact O-N 3.17Å; T702-L706 VanDerWaalsContact O-N 3.09Å |
| 703 | V | 91.1 | Very high | 87.7 | Confident | 10 Ų | 10 | 23.3 Ų | 23.3 | 6% | 0.061 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 174.1 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | L682 I699 L700 L705 L706 V707 V731 L734 L760 | L682-V703 HydrophobicContact CD1-CG2 3.81Å; I699-V703 HydrophobicContact CG2-CG2 4.4Å; I699-V703 WeakPolarHBondContact O-CG2 3.39Å; I699-V703 PolarHBondContact O-N 3.42Å; L700-V703 PolarHBondContact O-N 2.86Å; V703-L705 VanDerWaalsContact C-N 3.33Å; V703-L705 PolarHBondContact O-N 3.07Å; V703-L706 WeakPolarHBondContact O-CB 3.39Å; V703-L706 PolarHBondContact O-N 3.25Å; V703-V707 HydrophobicContact CG1-CG2 4.31Å; V703-V707 WeakPolarHBondContact O-CG2 3.4Å; V703-V707 PolarHBondContact O-N 2.82Å; V703-V731 HydrophobicContact CG1-CG2 3.9Å; V703-L734 HydrophobicContact CG1-CD2 4.4Å; V703-L734 HydrophobicContact CG2-CD2 4.21Å; V703-L760 HydrophobicContact CB-CD1 4.26Å; V703-L760 HydrophobicContact CG1-CD1 3.73Å; V703-L760 HydrophobicContact CG1-CD2 4.25Å |
| 704 | C | 92.3 | Very high | 86.9 | Confident | 15 Ų | 15 | 29.6 Ų | 29.6 | 10% | 0.101 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.5 | -44.5 | 176.5 | -177 | 0 | 0 | 0 | 0 | 111.1 | L700 N701 T702 V707 T708 R759 L760 | L700-C704 VanDerWaalsContact O-CB 3.27Å; L700-C704 WeakPolarHBondContact O-CB 3.4Å; L700-C704 PolarHBondContact O-N 3.41Å; N701-C704 WeakPolarHBondContact O-CB 3.4Å; N701-C704 PolarHBondContact O-N 3.06Å; T702-C704 VanDerWaalsContact C-N 3.35Å; C704-V707 PolarHBondContact O-N 3.01Å; C704-T708 WeakPolarHBondContact O-CB 3.36Å; C704-T708 PolarHBondContact O-N 2.99Å; C704-T708 PolarHBondContact O-OG1 3.44Å; C704-R759 VanDerWaalsContact SG-C 3.55Å; C704-R759 PolarHBondContact SG-O 3.2Å; C704-L760 HydrophobicContact CB-CB 4.21Å; C704-L760 HydrophobicContact CB-CD1 4.15Å |
| 705 | L | 90.3 | Very high | 85.8 | Confident | 64 Ų | 64 | 34.9 Ų | 34.9 | 34% | 0.335 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 175.1 | -72.3 | 171.9 | 0 | 0 | 0 | 111.2 | N701 T702 V703 V707 T708 E709 | N701-L705 WeakPolarHBondContact O-CG 3.27Å; N701-L705 PolarHBondContact O-N 3.28Å; T702-L705 PolarHBondContact O-N 3.44Å; V703-L705 VanDerWaalsContact C-N 3.33Å; V703-L705 PolarHBondContact O-N 3.07Å; L705-V707 PolarHBondContact O-N 3.3Å; L705-T708 PolarHBondContact O-N 2.71Å; L705-E709 WeakPolarHBondContact O-CG 3.24Å; L705-E709 PolarHBondContact O-N 2.96Å |
| 706 | L | 88.2 | Confident | 84.3 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.9 | -55 | 175.9 | -69.6 | 167.3 | 0 | 0 | 0 | 110.9 | I663 L668 I678 L679 L682 T702 V703 T708 E709 F710 | I663-L706 HydrophobicContact CD1-CD1 4.47Å; I663-L706 HydrophobicContact CD1-CD2 3.69Å; I663-L706 HydrophobicContact CD1-CG 3.95Å; I663-L706 HydrophobicContact CG1-CD2 3.97Å; I663-L706 HydrophobicContact CG2-CD2 3.76Å; I663-L706 HydrophobicContact CG2-CG 4.36Å; L668-L706 HydrophobicContact CD1-CD2 3.36Å; I678-L706 HydrophobicContact CG2-CD1 3.63Å; I678-L706 HydrophobicContact CG2-CD2 4.41Å; L679-L706 HydrophobicContact CD2-CD1 4.43Å; L682-L706 HydrophobicContact CD1-CD1 3.91Å; T702-L706 WeakPolarHBondContact O-CG 3.46Å; T702-L706 PolarHBondContact O-N 3.17Å; T702-L706 VanDerWaalsContact O-N 3.09Å; V703-L706 WeakPolarHBondContact O-CB 3.39Å; V703-L706 PolarHBondContact O-N 3.25Å; L706-T708 VanDerWaalsContact C-N 3.31Å; L706-T708 PolarHBondContact O-N 2.97Å; L706-E709 PolarHBondContact O-N 3.27Å; L706-F710 HydrophobicContact CB-CD2 4.43Å; L706-F710 HydrophobicContact CB-CE2 4.3Å; L706-F710 HydrophobicContact CD2-CE2 4.37Å; L706-F710 WeakPolarHBondContact O-CD2 3.32Å; L706-F710 PolarHBondContact O-N 3Å |
| 707 | V | 88.5 | Confident | 83 | Confident | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -40.5 | -178.6 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | V703 C704 L705 F710 N711 I727 V731 L760 S763 L764 | V703-V707 HydrophobicContact CG1-CG2 4.31Å; V703-V707 WeakPolarHBondContact O-CG2 3.4Å; V703-V707 PolarHBondContact O-N 2.82Å; C704-V707 PolarHBondContact O-N 3.01Å; L705-V707 PolarHBondContact O-N 3.3Å; V707-F710 PolarHBondContact O-N 3.45Å; V707-N711 WeakPolarHBondContact O-CB 3.48Å; V707-N711 PolarHBondContact O-N 3.41Å; V707-I727 HydrophobicContact CG2-CG2 4.22Å; V707-V731 HydrophobicContact CG2-CG2 4.12Å; V707-L760 HydrophobicContact CG2-CD1 4.16Å; V707-S763 WeakPolarHBondContact CG1-O 3.39Å; V707-L764 HydrophobicContact CG1-CB 4.49Å |
| 708 | T | 88.2 | Confident | 81.8 | Confident | 63 Ų | 63 | 45.6 Ų | 45.6 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 178 | -56 | 0 | 0 | 0 | 0 | 111.2 | C704 L705 L706 N711 G712 S763 | C704-T708 WeakPolarHBondContact O-CB 3.36Å; C704-T708 PolarHBondContact O-N 2.99Å; C704-T708 PolarHBondContact O-OG1 3.44Å; L705-T708 PolarHBondContact O-N 2.71Å; L706-T708 VanDerWaalsContact C-N 3.31Å; L706-T708 PolarHBondContact O-N 2.97Å; T708-N711 PolarHBondContact O-N 3.42Å; T708-G712 PolarHBondContact O-N 2.93Å; T708-S763 VanDerWaalsContact OG1-CB 3.23Å; T708-S763 WeakPolarHBondContact OG1-CB 3.28Å |
| 709 | E | 83.9 | Confident | 80.6 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60 | -49.3 | 177.5 | -67.2 | -62.1 | 150.6 | 0 | 0 | 110 | I663 H664 L705 L706 N711 G712 F713 | I663-E709 HydrophobicContact CG2-CG 4.39Å; H664-E709 IonicContact CE1-OE1 2.72Å; H664-E709 IonicContact ND1-OE1 3.52Å; H664-E709 PolarHBondContact ND1-OE1 3.35Å; L705-E709 WeakPolarHBondContact O-CG 3.24Å; L705-E709 PolarHBondContact O-N 2.96Å; L706-E709 PolarHBondContact O-N 3.27Å; E709-N711 PolarHBondContact O-N 3.44Å; E709-G712 PolarHBondContact O-N 3.39Å; E709-F713 HydrophobicContact CB-CE2 4.4Å; E709-F713 WeakPolarHBondContact O-CD2 3.15Å; E709-F713 WeakPolarHBondContact O-CE2 3.46Å; E709-F713 PolarHBondContact O-N 2.84Å |
| 710 | F | 82.4 | Confident | 79.6 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 4% | 0.044 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.2 | -44 | 179.1 | -73.9 | -65.7 | 0 | 0 | 0 | 113.7 | L668 I669 I675 L706 V707 G712 F723 | L668-F710 HydrophobicContact CB-CZ 4.43Å; I669-F710 HydrophobicContact CG1-CD1 4.41Å; I669-F710 HydrophobicContact CG1-CE1 4.25Å; I675-F710 HydrophobicContact CD1-CE1 3.92Å; I675-F710 HydrophobicContact CD1-CZ 3.65Å; I675-F710 HydrophobicContact CG1-CZ 3.98Å; L706-F710 HydrophobicContact CB-CD2 4.43Å; L706-F710 HydrophobicContact CB-CE2 4.3Å; L706-F710 HydrophobicContact CD2-CE2 4.37Å; L706-F710 WeakPolarHBondContact O-CD2 3.32Å; L706-F710 PolarHBondContact O-N 3Å; V707-F710 PolarHBondContact O-N 3.45Å; F710-G712 VanDerWaalsContact C-N 3.34Å; F710-F723 HydrophobicContact CB-CD1 4.43Å; F710-F723 HydrophobicContact CB-CE1 4.1Å; F710-F723 AromaticContact CD1-CD1 3.81Å; F710-F723 HydrophobicContact CD1-CD1 3.81Å; F710-F723 AromaticContact CD1-CE1 3.5Å; F710-F723 HydrophobicContact CD1-CE1 3.5Å; F710-F723 VanDerWaalsContact CD1-CE1 3.5Å; F710-F723 HydrophobicContact CD1-CZ 4.27Å; F710-F723 HydrophobicContact CD2-CD1 4.17Å; F710-F723 AromaticContact CD2-CE1 3.14Å; F710-F723 HydrophobicContact CD2-CE1 3.14Å; F710-F723 AromaticContact CD2-CZ 3.68Å; F710-F723 HydrophobicContact CD2-CZ 3.68Å; F710-F723 HydrophobicContact CE1-CD1 4.06Å; F710-F723 AromaticContact CE1-CE1 3.58Å; F710-F723 HydrophobicContact CE1-CE1 3.58Å; F710-F723 AromaticContact CE1-CZ 3.9Å; F710-F723 HydrophobicContact CE1-CZ 3.9Å; F710-F723 HydrophobicContact CE2-CD1 4.42Å; F710-F723 AromaticContact CE2-CE1 3.26Å; F710-F723 HydrophobicContact CE2-CE1 3.26Å; F710-F723 AromaticContact CE2-CZ 3.26Å; F710-F723 HydrophobicContact CE2-CZ 3.26Å; F710-F723 AromaticContact CG-CD1 3.88Å; F710-F723 HydrophobicContact CG-CD1 3.88Å; F710-F723 AromaticContact CG-CE1 3.29Å; F710-F723 HydrophobicContact CG-CE1 3.29Å; F710-F723 HydrophobicContact CG-CZ 4.19Å; F710-F723 HydrophobicContact CZ-CD1 4.37Å; F710-F723 AromaticContact CZ-CE1 3.48Å; F710-F723 HydrophobicContact CZ-CE1 3.48Å; F710-F723 VanDerWaalsContact CZ-CE1 3.48Å; F710-F723 HydrophobicContact CZ-CE2 4.37Å; F710-F723 AromaticContact CZ-CZ 3.39Å; F710-F723 HydrophobicContact CZ-CZ 3.39Å |
| 711 | N | 84.9 | Confident | 78.5 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -76.4 | -21.1 | 179.6 | -76.1 | -18.8 | 0 | 0 | 0 | 113.4 | V707 T708 E709 S763 L764 E766 G767 L768 N769 | V707-N711 WeakPolarHBondContact O-CB 3.48Å; V707-N711 PolarHBondContact O-N 3.41Å; T708-N711 PolarHBondContact O-N 3.42Å; E709-N711 PolarHBondContact O-N 3.44Å; N711-S763 PolarHBondContact ND2-O 3.46Å; N711-L764 PolarHBondContact ND2-O 2.94Å; N711-E766 WeakPolarHBondContact CB-O 3.31Å; N711-E766 PolarHBondContact ND2-O 3.45Å; N711-G767 CarbonylContact O-C 3.58Å; N711-G767 WeakPolarHBondContact O-CA 3.44Å; N711-L768 PolarHBondContact O-N 3.44Å; N711-N769 PolarHBondContact O-N 2.9Å |
| 712 | G | 79.6 | Confident | 77.4 | Confident | 43 Ų | 43 | 56.4 Ų | 56.4 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -83.6 | -13.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T708 E709 F710 | T708-G712 PolarHBondContact O-N 2.93Å; E709-G712 PolarHBondContact O-N 3.39Å; F710-G712 VanDerWaalsContact C-N 3.34Å |
| 713 | F | 74.6 | Confident | 76.3 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 17% | 0.171 | 33% | 0.328 | C | S | . | . | trans | -62 | 137.8 | -178.1 | -81.9 | -80.1 | 0 | 0 | 0 | 113.4 | N667 I669 E709 N769 | N667-F713 WeakPolarHBondContact OD1-CE1 3.43Å; N667-F713 VanDerWaalsContact OD1-CZ 3.23Å; N667-F713 WeakPolarHBondContact OD1-CZ 3.43Å; I669-F713 HydrophobicContact CB-CE1 4.42Å; I669-F713 HydrophobicContact CB-CZ 4.22Å; I669-F713 HydrophobicContact CD1-CB 4.07Å; I669-F713 HydrophobicContact CD1-CD1 3.57Å; I669-F713 HydrophobicContact CD1-CD2 3.19Å; I669-F713 HydrophobicContact CD1-CE1 3.7Å; I669-F713 HydrophobicContact CD1-CE2 3.36Å; I669-F713 HydrophobicContact CD1-CG 3.32Å; I669-F713 HydrophobicContact CD1-CZ 3.62Å; I669-F713 HydrophobicContact CG1-CD1 4.41Å; I669-F713 HydrophobicContact CG1-CD2 3.92Å; I669-F713 HydrophobicContact CG1-CE1 4.05Å; I669-F713 HydrophobicContact CG1-CE2 3.52Å; I669-F713 HydrophobicContact CG1-CG 4.36Å; I669-F713 HydrophobicContact CG1-CZ 3.6Å; E709-F713 HydrophobicContact CB-CE2 4.4Å; E709-F713 WeakPolarHBondContact O-CD2 3.15Å; E709-F713 WeakPolarHBondContact O-CE2 3.46Å; E709-F713 PolarHBondContact O-N 2.84Å; F713-N769 PolarHBondContact O-ND2 2.99Å | ||
| 714 | N | 68.5 | Low | 75.5 | Confident | 138 Ų | 138 | 57.5 Ų | 57.5 | 74% | 0.738 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -81.2 | -25.2 | 175.8 | -69.6 | -15.5 | 0 | 0 | 0 | 113.3 | L768 | N714-L768 VanDerWaalsContact OD1-CD1 3.31Å; N714-L768 WeakPolarHBondContact OD1-CD1 3.39Å |
| 715 | E | 64.8 | Low | 74.5 | Confident | 163 Ų | 163 | 62 Ų | 62 | 76% | 0.762 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -94 | 120.1 | -177.6 | -67.4 | -175.4 | 174.9 | 0 | 0 | 111.2 | S717 | E715-S717 PolarHBondContact O-N 3.31Š|
| 716 | C | 55.8 | Low | 73.6 | Confident | 116 Ų | 116 | 63.8 Ų | 63.8 | 78% | 0.784 | 37% | 0.366 | S | S | * | . | trans | -65.5 | 81.6 | 170.1 | -78.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 717 | S | 61.7 | Low | 73 | Confident | 31 Ų | 31 | 64 Ų | 64 | 22% | 0.217 | 37% | 0.367 | C | S | . | . | trans | -64.7 | 142.2 | 169.4 | 76.8 | 0 | 0 | 0 | 0 | 109.9 | E715 L719 L720 | E715-S717 PolarHBondContact O-N 3.31Å; S717-L719 PolarHBondContact O-N 3.4Å; S717-L719 VanDerWaalsContact O-N 3.1Å; S717-L720 WeakPolarHBondContact O-CB 3.46Å; S717-L720 PolarHBondContact O-N 2.92Å; S717-L720 VanDerWaalsContact O-N 3.1Å; S717-L720 PolarHBondContact OG-N 3.39Å | ||
| 718 | S | 64.9 | Low | 72.8 | Confident | 111 Ų | 111 | 64.4 Ų | 64.4 | 78% | 0.776 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18.9 | 177.4 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 719 | L | 66.6 | Low | 72.5 | Confident | 81 Ų | 81 | 64.1 Ų | 64.1 | 42% | 0.424 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -22.6 | 179 | -68.4 | 169.1 | 0 | 0 | 0 | 112.7 | P672 S717 E722 F723 | P672-L719 HydrophobicContact CB-CD1 4.21Å; P672-L719 HydrophobicContact CG-CD1 4.43Å; S717-L719 PolarHBondContact O-N 3.4Å; S717-L719 VanDerWaalsContact O-N 3.1Å; L719-E722 PolarHBondContact O-N 3.01Å; L719-F723 VanDerWaalsContact O-CB 3.24Å; L719-F723 WeakPolarHBondContact O-CB 3.48Å; L719-F723 PolarHBondContact O-N 3.11Å |
| 720 | L | 69.6 | Low | 72.6 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 7% | 0.068 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.5 | -39.5 | -171.2 | -156.1 | 132 | 0 | 0 | 0 | 113.7 | S717 F723 N724 N769 | S717-L720 WeakPolarHBondContact O-CB 3.46Å; S717-L720 PolarHBondContact O-N 2.92Å; S717-L720 VanDerWaalsContact O-N 3.1Å; S717-L720 PolarHBondContact OG-N 3.39Å; L720-F723 PolarHBondContact O-N 3.27Å; L720-N724 WeakPolarHBondContact CD2-ND2 3.37Å; L720-N724 WeakPolarHBondContact O-CB 3.49Å; L720-N724 VanDerWaalsContact O-CG 3.29Å; L720-N724 PolarHBondContact O-N 2.99Å; L720-N769 HydrophobicContact CD1-CB 4.24Å; L720-N769 WeakPolarHBondContact CD1-ND2 3.31Å; L720-N769 HydrophobicContact CD2-CB 3.61Å |
| 721 | P | 69.7 | Low | 72.8 | Confident | 82 Ų | 82 | 65.1 Ų | 65.1 | 53% | 0.532 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 173.6 | -22.6 | 34.4 | 0 | 0 | 0 | 113.4 | F723 N724 T725 | P721-F723 PolarHBondContact O-N 3.36Å; P721-N724 PolarHBondContact O-N 3.21Å; P721-T725 WeakPolarHBondContact O-CG2 3.45Å; P721-T725 PolarHBondContact O-N 3.24Å; P721-T725 PolarHBondContact O-OG1 3.29Å |
| 722 | E | 69.1 | Low | 73 | Confident | 133 Ų | 133 | 65.1 Ų | 65.1 | 62% | 0.621 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.4 | -40.7 | 176.8 | -67.5 | -175.6 | 169.3 | 0 | 0 | 110.4 | L719 T725 L726 | L719-E722 PolarHBondContact O-N 3.01Å; E722-T725 PolarHBondContact O-N 2.97Å; E722-T725 PolarHBondContact O-OG1 3.22Å; E722-L726 PolarHBondContact O-N 3.02Å |
| 723 | F | 68.4 | Low | 73.5 | Confident | 22 Ų | 22 | 71.2 Ų | 71.2 | 10% | 0.096 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68.8 | -43.7 | -179.2 | -168.7 | -107 | 0 | 0 | 0 | 113.3 | I675 F710 L719 L720 P721 T725 L726 I727 | I675-F723 HydrophobicContact CB-CE2 4.4Å; I675-F723 HydrophobicContact CD1-CD2 4.46Å; I675-F723 HydrophobicContact CD1-CE2 4.11Å; I675-F723 HydrophobicContact CD1-CZ 4.32Å; I675-F723 HydrophobicContact CG2-CD2 4.06Å; I675-F723 HydrophobicContact CG2-CE2 3.09Å; I675-F723 HydrophobicContact CG2-CZ 3.61Å; F710-F723 HydrophobicContact CB-CD1 4.43Å; F710-F723 HydrophobicContact CB-CE1 4.1Å; F710-F723 AromaticContact CD1-CD1 3.81Å; F710-F723 HydrophobicContact CD1-CD1 3.81Å; F710-F723 AromaticContact CD1-CE1 3.5Å; F710-F723 HydrophobicContact CD1-CE1 3.5Å; F710-F723 VanDerWaalsContact CD1-CE1 3.5Å; F710-F723 HydrophobicContact CD1-CZ 4.27Å; F710-F723 HydrophobicContact CD2-CD1 4.17Å; F710-F723 AromaticContact CD2-CE1 3.14Å; F710-F723 HydrophobicContact CD2-CE1 3.14Å; F710-F723 AromaticContact CD2-CZ 3.68Å; F710-F723 HydrophobicContact CD2-CZ 3.68Å; F710-F723 HydrophobicContact CE1-CD1 4.06Å; F710-F723 AromaticContact CE1-CE1 3.58Å; F710-F723 HydrophobicContact CE1-CE1 3.58Å; F710-F723 AromaticContact CE1-CZ 3.9Å; F710-F723 HydrophobicContact CE1-CZ 3.9Å; F710-F723 HydrophobicContact CE2-CD1 4.42Å; F710-F723 AromaticContact CE2-CE1 3.26Å; F710-F723 HydrophobicContact CE2-CE1 3.26Å; F710-F723 AromaticContact CE2-CZ 3.26Å; F710-F723 HydrophobicContact CE2-CZ 3.26Å; F710-F723 AromaticContact CG-CD1 3.88Å; F710-F723 HydrophobicContact CG-CD1 3.88Å; F710-F723 AromaticContact CG-CE1 3.29Å; F710-F723 HydrophobicContact CG-CE1 3.29Å; F710-F723 HydrophobicContact CG-CZ 4.19Å; F710-F723 HydrophobicContact CZ-CD1 4.37Å; F710-F723 AromaticContact CZ-CE1 3.48Å; F710-F723 HydrophobicContact CZ-CE1 3.48Å; F710-F723 VanDerWaalsContact CZ-CE1 3.48Å; F710-F723 HydrophobicContact CZ-CE2 4.37Å; F710-F723 AromaticContact CZ-CZ 3.39Å; F710-F723 HydrophobicContact CZ-CZ 3.39Å; L719-F723 VanDerWaalsContact O-CB 3.24Å; L719-F723 WeakPolarHBondContact O-CB 3.48Å; L719-F723 PolarHBondContact O-N 3.11Å; L720-F723 PolarHBondContact O-N 3.27Å; P721-F723 PolarHBondContact O-N 3.36Å; F723-T725 VanDerWaalsContact C-N 3.28Å; F723-T725 PolarHBondContact O-N 2.83Å; F723-L726 PolarHBondContact O-N 3.43Å; F723-L726 VanDerWaalsContact O-N 3.14Å; F723-I727 HydrophobicContact CD1-CD1 4.14Å; F723-I727 HydrophobicContact CD2-CD1 4.36Å; F723-I727 HydrophobicContact CE1-CD1 3.27Å; F723-I727 HydrophobicContact CE1-CG1 4.21Å; F723-I727 HydrophobicContact CE2-CD1 3.47Å; F723-I727 VanDerWaalsContact CE2-CD1 3.47Å; F723-I727 HydrophobicContact CE2-CG1 3.98Å; F723-I727 HydrophobicContact CZ-CD1 2.95Å; F723-I727 HydrophobicContact CZ-CG1 3.93Å; F723-I727 PolarHBondContact O-N 3.5Å |
| 724 | N | 72.8 | Confident | 74.1 | Confident | 14 Ų | 14 | 70.7 Ų | 70.7 | 8% | 0.075 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56 | -44.9 | 170.9 | -77.2 | -8.5 | 0 | 0 | 0 | 110.3 | L720 P721 L726 I727 H728 N769 | L720-N724 WeakPolarHBondContact CD2-ND2 3.37Å; L720-N724 WeakPolarHBondContact O-CB 3.49Å; L720-N724 VanDerWaalsContact O-CG 3.29Å; L720-N724 PolarHBondContact O-N 2.99Å; P721-N724 PolarHBondContact O-N 3.21Å; N724-L726 VanDerWaalsContact C-N 3.35Å; N724-L726 PolarHBondContact O-N 3.03Å; N724-I727 PolarHBondContact O-N 3.23Å; N724-H728 VanDerWaalsContact O-CB 3.28Å; N724-H728 WeakPolarHBondContact O-CB 3.4Å; N724-H728 PolarHBondContact O-CD2 2.95Å; N724-H728 PolarHBondContact O-N 3.32Å; N724-N769 PolarHBondContact ND2-O 3.42Å |
| 725 | T | 71.6 | Confident | 75.2 | Confident | 109 Ų | 109 | 64.1 Ų | 64.1 | 67% | 0.669 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.1 | -36.9 | 177.4 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | P721 E722 F723 | P721-T725 WeakPolarHBondContact O-CG2 3.45Å; P721-T725 PolarHBondContact O-N 3.24Å; P721-T725 PolarHBondContact O-OG1 3.29Å; E722-T725 PolarHBondContact O-N 2.97Å; E722-T725 PolarHBondContact O-OG1 3.22Å; F723-T725 VanDerWaalsContact C-N 3.28Å; F723-T725 PolarHBondContact O-N 2.83Å |
| 726 | L | 71.1 | Confident | 76.4 | Confident | 102 Ų | 102 | 58.3 Ų | 58.3 | 53% | 0.534 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.6 | -44.4 | 179 | -169.7 | 80.2 | 0 | 0 | 0 | 111.9 | E722 F723 N724 | E722-L726 PolarHBondContact O-N 3.02Å; F723-L726 PolarHBondContact O-N 3.43Å; F723-L726 VanDerWaalsContact O-N 3.14Å; N724-L726 VanDerWaalsContact C-N 3.35Å; N724-L726 PolarHBondContact O-N 3.03Å |
| 727 | I | 77.2 | Confident | 77.8 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -85.4 | -35.3 | -170.3 | -79.4 | -167.3 | 0 | 0 | 0 | 113.3 | L679 V707 F723 N724 S729 S730 V731 | L679-I727 HydrophobicContact CD1-CD1 4.14Å; L679-I727 HydrophobicContact CD1-CG1 4.22Å; L679-I727 HydrophobicContact CD2-CD1 4.5Å; V707-I727 HydrophobicContact CG2-CG2 4.22Å; F723-I727 HydrophobicContact CD1-CD1 4.14Å; F723-I727 HydrophobicContact CD2-CD1 4.36Å; F723-I727 HydrophobicContact CE1-CD1 3.27Å; F723-I727 HydrophobicContact CE1-CG1 4.21Å; F723-I727 HydrophobicContact CE2-CD1 3.47Å; F723-I727 VanDerWaalsContact CE2-CD1 3.47Å; F723-I727 HydrophobicContact CE2-CG1 3.98Å; F723-I727 HydrophobicContact CZ-CD1 2.95Å; F723-I727 HydrophobicContact CZ-CG1 3.93Å; F723-I727 PolarHBondContact O-N 3.5Å; N724-I727 PolarHBondContact O-N 3.23Å; I727-S729 PolarHBondContact O-N 2.72Å; I727-S730 PolarHBondContact O-N 2.87Å; I727-S730 VanDerWaalsContact O-N 3.17Å; I727-V731 HydrophobicContact CG2-CB 4.19Å; I727-V731 HydrophobicContact CG2-CG2 3.38Å; I727-V731 WeakPolarHBondContact O-CB 3.34Å; I727-V731 PolarHBondContact O-N 2.96Å |
| 728 | H | 83.2 | Confident | 79.1 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.5 | -49.4 | -170.3 | -80.7 | -148.6 | 0 | 0 | 0 | 111.9 | N724 S730 V731 I732 A771 S773 | N724-H728 VanDerWaalsContact O-CB 3.28Å; N724-H728 WeakPolarHBondContact O-CB 3.4Å; N724-H728 PolarHBondContact O-CD2 2.95Å; N724-H728 PolarHBondContact O-N 3.32Å; H728-S730 PolarHBondContact O-N 3.41Å; H728-V731 PolarHBondContact O-N 3.39Å; H728-I732 HydrophobicContact CB-CD1 4.41Å; H728-I732 VanDerWaalsContact O-CB 3.23Å; H728-I732 WeakPolarHBondContact O-CB 3.39Å; H728-I732 VanDerWaalsContact O-CD1 3.32Å; H728-I732 WeakPolarHBondContact O-CD1 3.33Å; H728-I732 WeakPolarHBondContact O-CG1 3.49Å; H728-I732 PolarHBondContact O-N 3.05Å; H728-A771 PolarHBondContact CE1-O 3.11Å; H728-A771 VanDerWaalsContact CE1-O 3.32Å; H728-S773 WeakPolarHBondContact ND1-CB 3.43Å |
| 729 | S | 83 | Confident | 80.2 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | -178.4 | 65.6 | 0 | 0 | 0 | 0 | 112.8 | I727 R733 | I727-S729 PolarHBondContact O-N 2.72Å; S729-R733 WeakPolarHBondContact O-CB 3.36Å; S729-R733 PolarHBondContact O-N 3.4Å; S729-R733 VanDerWaalsContact O-N 3.1Å |
| 730 | S | 84.6 | Confident | 81.1 | Confident | 78 Ų | 78 | 48.5 Ų | 48.5 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.1 | -44.2 | 178.1 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | I727 H728 R733 L734 | I727-S730 PolarHBondContact O-N 2.87Å; I727-S730 VanDerWaalsContact O-N 3.17Å; H728-S730 PolarHBondContact O-N 3.41Å; S730-R733 PolarHBondContact O-N 2.83Å; S730-L734 WeakPolarHBondContact O-CB 3.39Å; S730-L734 PolarHBondContact O-N 3Å |
| 731 | V | 87.8 | Confident | 81.6 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.4 | -43 | 178.9 | 166.6 | 0 | 0 | 0 | 0 | 111 | V703 V707 I727 H728 R733 L734 I735 L760 L764 | V703-V731 HydrophobicContact CG1-CG2 3.9Å; V707-V731 HydrophobicContact CG2-CG2 4.12Å; I727-V731 HydrophobicContact CG2-CB 4.19Å; I727-V731 HydrophobicContact CG2-CG2 3.38Å; I727-V731 WeakPolarHBondContact O-CB 3.34Å; I727-V731 PolarHBondContact O-N 2.96Å; H728-V731 PolarHBondContact O-N 3.39Å; V731-R733 VanDerWaalsContact C-N 3.32Å; V731-R733 PolarHBondContact O-N 3.35Å; V731-L734 WeakPolarHBondContact O-CB 3.45Å; V731-L734 PolarHBondContact O-N 3.18Å; V731-L734 VanDerWaalsContact O-N 3.11Å; V731-I735 HydrophobicContact CG1-CD1 3.75Å; V731-I735 HydrophobicContact CG1-CG1 4.32Å; V731-I735 VanDerWaalsContact O-CG1 3.29Å; V731-I735 WeakPolarHBondContact O-CG1 3.26Å; V731-I735 PolarHBondContact O-N 2.9Å; V731-L760 HydrophobicContact CG1-CD1 3.85Å; V731-L760 HydrophobicContact CG1-CD2 4.16Å; V731-L760 HydrophobicContact CG1-CG 3.93Å; V731-L764 HydrophobicContact CG1-CD1 4.3Å; V731-L764 HydrophobicContact CG1-CD2 4.33Å |
| 732 | I | 89.3 | Confident | 82 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -46.5 | 175.5 | -72.7 | 165.6 | 0 | 0 | 0 | 110.5 | H728 L734 I735 Q736 L764 D775 L779 | H728-I732 HydrophobicContact CB-CD1 4.41Å; H728-I732 VanDerWaalsContact O-CB 3.23Å; H728-I732 WeakPolarHBondContact O-CB 3.39Å; H728-I732 VanDerWaalsContact O-CD1 3.32Å; H728-I732 WeakPolarHBondContact O-CD1 3.33Å; H728-I732 WeakPolarHBondContact O-CG1 3.49Å; H728-I732 PolarHBondContact O-N 3.05Å; I732-L734 VanDerWaalsContact C-N 3.31Å; I732-L734 PolarHBondContact O-N 3.26Å; I732-I735 PolarHBondContact O-N 3.45Å; I732-Q736 WeakPolarHBondContact O-CG 3.44Å; I732-Q736 PolarHBondContact O-N 3.46Å; I732-L764 HydrophobicContact CD1-CD2 4.32Å; I732-L764 HydrophobicContact CG1-CD2 3.71Å; I732-D775 HydrophobicContact CD1-CB 3.49Å; I732-D775 VanDerWaalsContact CD1-CB 3.49Å; I732-L779 HydrophobicContact CB-CD1 4.47Å; I732-L779 HydrophobicContact CG1-CD1 4.08Å; I732-L779 HydrophobicContact CG2-CD1 4.18Å; I732-L779 HydrophobicContact CG2-CD2 4.44Å; I732-L779 HydrophobicContact CG2-CG 4Å |
| 733 | R | 88.4 | Confident | 82.3 | Confident | 170 Ų | 170 | 42.4 Ų | 42.4 | 64% | 0.642 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -61.2 | -39.8 | 175.6 | -176.1 | 179 | 176.1 | -176.5 | -0 | 112.1 | S729 S730 V731 Q736 M737 | S729-R733 WeakPolarHBondContact O-CB 3.36Å; S729-R733 PolarHBondContact O-N 3.4Å; S729-R733 VanDerWaalsContact O-N 3.1Å; S730-R733 PolarHBondContact O-N 2.83Å; V731-R733 VanDerWaalsContact C-N 3.32Å; V731-R733 PolarHBondContact O-N 3.35Å; R733-Q736 PolarHBondContact O-N 3.05Å; R733-M737 HydrophobicContact CG-CG 4.41Å; R733-M737 HydrophobicContact CG-SD 4.05Å; R733-M737 WeakPolarHBondContact O-CB 3.3Å; R733-M737 VanDerWaalsContact O-CG 3.3Å; R733-M737 WeakPolarHBondContact O-CG 3.39Å; R733-M737 PolarHBondContact O-N 3.21Å |
| 734 | L | 88 | Confident | 82.6 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -42.9 | 179 | -173.9 | 63.6 | 0 | 0 | 0 | 111.9 | W686 L700 V703 S730 V731 I732 S738 L760 | W686-L734 HydrophobicContact CD2-CD1 3.88Å; W686-L734 HydrophobicContact CE3-CD1 3.9Å; W686-L734 HydrophobicContact CH2-CD1 3.57Å; W686-L734 HydrophobicContact CZ2-CD1 3.54Å; W686-L734 HydrophobicContact CZ3-CD1 3.74Å; L700-L734 HydrophobicContact CD2-CD1 4.14Å; L700-L734 HydrophobicContact CD2-CD2 3.71Å; L700-L734 HydrophobicContact CD2-CG 3.59Å; V703-L734 HydrophobicContact CG1-CD2 4.4Å; V703-L734 HydrophobicContact CG2-CD2 4.21Å; S730-L734 WeakPolarHBondContact O-CB 3.39Å; S730-L734 PolarHBondContact O-N 3Å; V731-L734 WeakPolarHBondContact O-CB 3.45Å; V731-L734 PolarHBondContact O-N 3.18Å; V731-L734 VanDerWaalsContact O-N 3.11Å; I732-L734 VanDerWaalsContact C-N 3.31Å; I732-L734 PolarHBondContact O-N 3.26Å; L734-S738 VanDerWaalsContact O-CB 3.32Å; L734-S738 WeakPolarHBondContact O-CB 3.39Å; L734-S738 PolarHBondContact O-N 3.17Å; L734-S738 PolarHBondContact O-OG 3.28Å; L734-L760 HydrophobicContact CD2-CD2 4.02Å; L734-L760 HydrophobicContact CG-CD2 4.41Å |
| 735 | I | 91.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -51.6 | 173.5 | -65.9 | 160.5 | 0 | 0 | 0 | 109.8 | V731 I732 M737 S738 L739 L760 W761 L764 L779 | V731-I735 HydrophobicContact CG1-CD1 3.75Å; V731-I735 HydrophobicContact CG1-CG1 4.32Å; V731-I735 VanDerWaalsContact O-CG1 3.29Å; V731-I735 WeakPolarHBondContact O-CG1 3.26Å; V731-I735 PolarHBondContact O-N 2.9Å; I732-I735 PolarHBondContact O-N 3.45Å; I735-M737 PolarHBondContact O-N 3.34Å; I735-S738 PolarHBondContact O-N 3.06Å; I735-L739 HydrophobicContact CG2-CD1 3.75Å; I735-L739 HydrophobicContact CG2-CG 4.37Å; I735-L739 WeakPolarHBondContact O-CG 3.32Å; I735-L739 PolarHBondContact O-N 2.67Å; I735-L760 HydrophobicContact CD1-CG 4.13Å; I735-L760 HydrophobicContact CG1-CB 4.34Å; I735-L760 HydrophobicContact CG1-CD2 3.82Å; I735-L760 HydrophobicContact CG1-CG 3.84Å; I735-W761 HydrophobicContact CD1-CB 3.84Å; I735-W761 HydrophobicContact CD1-CG 4.29Å; I735-W761 HydrophobicContact CG1-CB 4.41Å; I735-W761 HydrophobicContact CG2-CB 4.16Å; I735-W761 HydrophobicContact CG2-CD2 4.49Å; I735-W761 HydrophobicContact CG2-CE3 4.27Å; I735-W761 HydrophobicContact CG2-CG 4.48Å; I735-L764 HydrophobicContact CD1-CD2 4.2Å; I735-L779 HydrophobicContact CB-CD2 4.12Å; I735-L779 HydrophobicContact CD1-CD1 4.15Å; I735-L779 HydrophobicContact CG2-CD1 4.3Å; I735-L779 HydrophobicContact CG2-CD2 3.67Å |
| 736 | Q | 89.9 | Confident | 82 | Confident | 42 Ų | 42 | 53 Ų | 53 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.9 | -52.2 | 179 | -73.9 | 179.9 | -20.3 | 0 | 0 | 111.8 | I732 R733 S738 L739 Y740 N778 L779 I782 | I732-Q736 WeakPolarHBondContact O-CG 3.44Å; I732-Q736 PolarHBondContact O-N 3.46Å; R733-Q736 PolarHBondContact O-N 3.05Å; Q736-S738 VanDerWaalsContact C-N 3.31Å; Q736-S738 PolarHBondContact O-N 2.8Å; Q736-L739 PolarHBondContact O-N 3.42Å; Q736-Y740 HydrophobicContact CB-CD2 4.36Å; Q736-Y740 HydrophobicContact CB-CE2 4.11Å; Q736-Y740 WeakPolarHBondContact O-CB 3.49Å; Q736-Y740 WeakPolarHBondContact O-CD2 3.49Å; Q736-Y740 VanDerWaalsContact O-CG 3.31Å; Q736-Y740 PolarHBondContact O-N 3.26Å; Q736-N778 VanDerWaalsContact NE2-CB 3.32Å; Q736-N778 PolarHBondContact NE2-O 3.38Å; Q736-L779 HydrophobicContact CB-CD2 4.47Å; Q736-L779 HydrophobicContact CG-CD2 3.37Å; Q736-L779 HydrophobicContact CG-CG 4.39Å; Q736-I782 HydrophobicContact CB-CD1 4.25Å; Q736-I782 HydrophobicContact CG-CD1 3.88Å |
| 737 | M | 86.9 | Confident | 81.8 | Confident | 64 Ų | 64 | 49.2 Ų | 49.2 | 32% | 0.315 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.8 | -42 | -179.4 | -76.3 | -179.6 | 57.3 | 0 | 0 | 112.1 | R733 I735 Q741 | R733-M737 HydrophobicContact CG-CG 4.41Å; R733-M737 HydrophobicContact CG-SD 4.05Å; R733-M737 WeakPolarHBondContact O-CB 3.3Å; R733-M737 VanDerWaalsContact O-CG 3.3Å; R733-M737 WeakPolarHBondContact O-CG 3.39Å; R733-M737 PolarHBondContact O-N 3.21Å; I735-M737 PolarHBondContact O-N 3.34Å; M737-Q741 WeakPolarHBondContact O-CB 3.4Å; M737-Q741 VanDerWaalsContact O-CG 3.23Å; M737-Q741 WeakPolarHBondContact O-CG 3.5Å; M737-Q741 PolarHBondContact O-N 2.87Å |
| 738 | S | 88 | Confident | 81.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69 | -42.9 | -177.9 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | W686 L734 I735 Q736 Q741 A742 | W686-S738 WeakPolarHBondContact CH2-OG 3.22Å; L734-S738 VanDerWaalsContact O-CB 3.32Å; L734-S738 WeakPolarHBondContact O-CB 3.39Å; L734-S738 PolarHBondContact O-N 3.17Å; L734-S738 PolarHBondContact O-OG 3.28Å; I735-S738 PolarHBondContact O-N 3.06Å; Q736-S738 VanDerWaalsContact C-N 3.31Å; Q736-S738 PolarHBondContact O-N 2.8Å; S738-Q741 PolarHBondContact O-N 2.96Å; S738-A742 WeakPolarHBondContact O-CB 3.14Å; S738-A742 PolarHBondContact O-N 3.37Å |
| 739 | L | 87.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68 | -37.2 | 177.2 | -68.1 | 176.4 | 0 | 0 | 0 | 112.2 | I735 Q736 E743 F754 A757 I758 W761 I782 L807 R810 | I735-L739 HydrophobicContact CG2-CD1 3.75Å; I735-L739 HydrophobicContact CG2-CG 4.37Å; I735-L739 WeakPolarHBondContact O-CG 3.32Å; I735-L739 PolarHBondContact O-N 2.67Å; Q736-L739 PolarHBondContact O-N 3.42Å; L739-E743 PolarHBondContact O-N 3.38Å; L739-F754 HydrophobicContact CD2-CD2 3.77Å; L739-F754 HydrophobicContact CD2-CE2 4.12Å; L739-A757 HydrophobicContact CD2-CB 3.83Å; L739-A757 HydrophobicContact CG-CB 3.97Å; L739-I758 HydrophobicContact CD2-CG1 4.14Å; L739-W761 HydrophobicContact CD1-CE3 4.31Å; L739-W761 HydrophobicContact CD1-CZ3 4.38Å; L739-I782 HydrophobicContact CB-CG2 4.32Å; L739-I782 HydrophobicContact CD1-CG2 3.81Å; L739-L807 HydrophobicContact CD2-CD1 4.42Å; L739-R810 PolarHBondContact O-NH2 2.79Å |
| 740 | Y | 85.1 | Confident | 81 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 27% | 0.271 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.9 | -40 | 173.6 | -68.3 | -42 | 0 | 0 | 0 | 112.3 | Q736 A742 E743 E744 I782 | Q736-Y740 HydrophobicContact CB-CD2 4.36Å; Q736-Y740 HydrophobicContact CB-CE2 4.11Å; Q736-Y740 WeakPolarHBondContact O-CB 3.49Å; Q736-Y740 WeakPolarHBondContact O-CD2 3.49Å; Q736-Y740 VanDerWaalsContact O-CG 3.31Å; Q736-Y740 PolarHBondContact O-N 3.26Å; Y740-A742 VanDerWaalsContact C-N 3.34Å; Y740-A742 PolarHBondContact O-N 2.91Å; Y740-E743 PolarHBondContact O-N 3.47Å; Y740-E744 WeakPolarHBondContact O-CB 3.45Å; Y740-E744 PolarHBondContact O-N 3.4Å; Y740-I782 HydrophobicContact CE1-CD1 3.99Å; Y740-I782 HydrophobicContact CE1-CG1 3.95Å; Y740-I782 HydrophobicContact CE2-CD1 4.14Å |
| 741 | Q | 81.3 | Confident | 80.8 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 175.6 | -78.7 | 173 | 3.9 | 0 | 0 | 112.7 | R696 M737 S738 E743 K745 S750 L753 | R696-Q741 VanDerWaalsContact NH1-CD 3.29Å; R696-Q741 VanDerWaalsContact NH1-NE2 3.11Å; M737-Q741 WeakPolarHBondContact O-CB 3.4Å; M737-Q741 VanDerWaalsContact O-CG 3.23Å; M737-Q741 WeakPolarHBondContact O-CG 3.5Å; M737-Q741 PolarHBondContact O-N 2.87Å; S738-Q741 PolarHBondContact O-N 2.96Å; Q741-E743 VanDerWaalsContact C-N 3.28Å; Q741-E743 PolarHBondContact O-N 2.91Å; Q741-K745 PolarHBondContact O-N 3.35Å; Q741-S750 WeakPolarHBondContact O-CB 3.43Å; Q741-S750 PolarHBondContact O-OG 3.15Å; Q741-L753 HydrophobicContact CB-CD1 4.18Å |
| 742 | A | 77.4 | Confident | 80.6 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -34.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S738 Y740 S750 F754 | S738-A742 WeakPolarHBondContact O-CB 3.14Å; S738-A742 PolarHBondContact O-N 3.37Å; Y740-A742 VanDerWaalsContact C-N 3.34Å; Y740-A742 PolarHBondContact O-N 2.91Å; A742-S750 WeakPolarHBondContact CB-O 3.28Å; A742-F754 HydrophobicContact CB-CB 4.29Å |
| 743 | E | 75.6 | Confident | 80.5 | Confident | 68 Ų | 68 | 60.5 Ų | 60.5 | 32% | 0.318 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -78.9 | -47.7 | 179.7 | -170.6 | 173.1 | -180 | 0 | 0 | 112.5 | L739 Y740 Q741 K745 R810 | L739-E743 PolarHBondContact O-N 3.38Å; Y740-E743 PolarHBondContact O-N 3.47Å; Q741-E743 VanDerWaalsContact C-N 3.28Å; Q741-E743 PolarHBondContact O-N 2.91Å; E743-K745 PolarHBondContact O-N 3.49Å; E743-R810 IonicContact OE2-CZ 2.81Å; E743-R810 IonicContact OE2-NH1 2.9Å; E743-R810 PolarHBondContact OE2-NH1 2.8Å |
| 744 | E | 73.7 | Confident | 80.6 | Confident | 116 Ų | 116 | 53.1 Ų | 53.1 | 54% | 0.542 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -77.8 | -0.3 | -175.8 | -69.3 | -176.2 | -165.8 | 0 | 0 | 113.4 | Y740 Q746 | Y740-E744 WeakPolarHBondContact O-CB 3.45Å; Y740-E744 PolarHBondContact O-N 3.4Å; E744-Q746 HydrophobicContact CB-CG 3.74Å; E744-Q746 PolarHBondContact O-N 3.2Å; E744-Q746 PolarHBondContact OE2-NE2 2.98Å |
| 745 | K | 67.5 | Low | 80.7 | Confident | 136 Ų | 136 | 54.3 Ų | 54.3 | 59% | 0.591 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 34.1 | -176.8 | -59.8 | -166.8 | -176.2 | -144.4 | 0 | 113.4 | Q741 E743 I747 S750 E751 | Q741-K745 PolarHBondContact O-N 3.35Å; E743-K745 PolarHBondContact O-N 3.49Å; K745-I747 PolarHBondContact O-N 2.89Å; K745-S750 WeakPolarHBondContact CA-OG 3.3Å; K745-E751 IonicContact NZ-OE1 3.62Å; K745-E751 PolarHBondContact NZ-OE1 3.11Å |
| 746 | Q | 64.2 | Low | 80.7 | Confident | 117 Ų | 117 | 54.8 Ų | 54.8 | 55% | 0.547 | 28% | 0.277 | S | S | . | . | trans | -63.7 | -27.2 | -174.5 | -69.9 | -174.9 | -8.5 | 0 | 0 | 112.9 | E744 | E744-Q746 HydrophobicContact CB-CG 3.74Å; E744-Q746 PolarHBondContact O-N 3.2Å; E744-Q746 PolarHBondContact OE2-NE2 2.98Å | ||
| 747 | I | 67 | Low | 80.9 | Confident | 22 Ų | 22 | 52.8 Ų | 52.8 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -122.4 | 137.8 | -177.9 | -54.5 | 171.7 | 0 | 0 | 0 | 108.2 | K745 G749 S750 | K745-I747 PolarHBondContact O-N 2.89Å; I747-G749 PolarHBondContact O-N 3.39Å; I747-S750 WeakPolarHBondContact O-CB 3.48Å; I747-S750 PolarHBondContact O-N 3.39Å; I747-S750 PolarHBondContact O-OG 3.44Å |
| 748 | H | 71.4 | Confident | 81.2 | Confident | 186 Ų | 186 | 49.8 Ų | 49.8 | 86% | 0.861 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 123.3 | 170.7 | -75.4 | -65.2 | 0 | 0 | 0 | 110.1 | S750 | H748-S750 VanDerWaalsContact C-N 3.35Š|
| 749 | G | 74 | Confident | 81.5 | Confident | 47 Ų | 47 | 54.6 Ų | 54.6 | 49% | 0.485 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 12.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A693 I747 E751 A752 | A693-G749 VanDerWaalsContact CB-C 3.44Å; A693-G749 WeakPolarHBondContact CB-O 3.4Å; I747-G749 PolarHBondContact O-N 3.39Å; G749-E751 PolarHBondContact O-N 3.13Å; G749-E751 VanDerWaalsContact O-N 3.07Å; G749-A752 VanDerWaalsContact O-CB 3.3Å; G749-A752 WeakPolarHBondContact O-CB 3.41Å; G749-A752 PolarHBondContact O-N 3.28Å |
| 750 | S | 80.9 | Confident | 81.8 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -55.3 | -22 | 176.6 | 44.7 | 0 | 0 | 0 | 0 | 114.6 | Q741 A742 K745 I747 H748 A752 L753 | Q741-S750 WeakPolarHBondContact O-CB 3.43Å; Q741-S750 PolarHBondContact O-OG 3.15Å; A742-S750 WeakPolarHBondContact CB-O 3.28Å; K745-S750 WeakPolarHBondContact CA-OG 3.3Å; I747-S750 WeakPolarHBondContact O-CB 3.48Å; I747-S750 PolarHBondContact O-N 3.39Å; I747-S750 PolarHBondContact O-OG 3.44Å; H748-S750 VanDerWaalsContact C-N 3.35Å; S750-A752 PolarHBondContact O-N 3.04Å; S750-L753 VanDerWaalsContact O-CB 3.28Å; S750-L753 WeakPolarHBondContact O-CB 3.23Å; S750-L753 WeakPolarHBondContact O-CG 3.41Å; S750-L753 PolarHBondContact O-N 3.39Å |
| 751 | E | 81.1 | Confident | 82.3 | Confident | 120 Ų | 120 | 51.3 Ų | 51.3 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -52.8 | -34.9 | 170.3 | -66.3 | 169.9 | -176.4 | 0 | 0 | 111.7 | K745 G749 L753 F754 | K745-E751 IonicContact NZ-OE1 3.62Å; K745-E751 PolarHBondContact NZ-OE1 3.11Å; G749-E751 PolarHBondContact O-N 3.13Å; G749-E751 VanDerWaalsContact O-N 3.07Å; E751-L753 PolarHBondContact O-N 2.82Å; E751-L753 VanDerWaalsContact O-N 3.09Å; E751-F754 WeakPolarHBondContact O-CB 3.44Å; E751-F754 PolarHBondContact O-N 2.92Å; E751-F754 VanDerWaalsContact O-N 3.11Å |
| 752 | A | 83.8 | Confident | 82.9 | Confident | 52 Ų | 52 | 50.4 Ų | 50.4 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -65.5 | -12.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G749 S750 P756 | G749-A752 VanDerWaalsContact O-CB 3.3Å; G749-A752 WeakPolarHBondContact O-CB 3.41Å; G749-A752 PolarHBondContact O-N 3.28Å; S750-A752 PolarHBondContact O-N 3.04Å; A752-P756 VanDerWaalsContact O-CD 3.24Å; A752-P756 WeakPolarHBondContact O-CD 3.39Å; A752-P756 WeakPolarHBondContact O-CG 3.33Å |
| 753 | L | 87.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -82.1 | -19.2 | 176.1 | -56.2 | -179.9 | 0 | 0 | 0 | 112.9 | A693 R696 A697 L700 Q741 S750 E751 A757 | A693-L753 WeakPolarHBondContact O-CD2 3.46Å; R696-L753 HydrophobicContact CB-CD2 3.44Å; R696-L753 VanDerWaalsContact CB-CD2 3.44Å; A697-L753 HydrophobicContact CB-CD2 4.33Å; L700-L753 HydrophobicContact CD1-CB 4.42Å; L700-L753 HydrophobicContact CD1-CD2 4.22Å; Q741-L753 HydrophobicContact CB-CD1 4.18Å; S750-L753 VanDerWaalsContact O-CB 3.28Å; S750-L753 WeakPolarHBondContact O-CB 3.23Å; S750-L753 WeakPolarHBondContact O-CG 3.41Å; S750-L753 PolarHBondContact O-N 3.39Å; E751-L753 PolarHBondContact O-N 2.82Å; E751-L753 VanDerWaalsContact O-N 3.09Å; L753-A757 WeakPolarHBondContact O-CB 3.47Å; L753-A757 PolarHBondContact O-N 3.4Å |
| 754 | F | 89.7 | Confident | 84.3 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.7 | -57.2 | -171.1 | -176.6 | -107.6 | 0 | 0 | 0 | 112 | L739 A742 E751 A757 I758 L807 R810 V811 | L739-F754 HydrophobicContact CD2-CD2 3.77Å; L739-F754 HydrophobicContact CD2-CE2 4.12Å; A742-F754 HydrophobicContact CB-CB 4.29Å; E751-F754 WeakPolarHBondContact O-CB 3.44Å; E751-F754 PolarHBondContact O-N 2.92Å; E751-F754 VanDerWaalsContact O-N 3.11Å; F754-A757 PolarHBondContact O-N 3.42Å; F754-I758 HydrophobicContact CD1-CD1 3.77Å; F754-I758 HydrophobicContact CD2-CD1 4.21Å; F754-I758 HydrophobicContact CE1-CD1 3.33Å; F754-I758 HydrophobicContact CE2-CD1 3.83Å; F754-I758 HydrophobicContact CG-CD1 4.2Å; F754-I758 HydrophobicContact CZ-CD1 3.38Å; F754-I758 WeakPolarHBondContact O-CG1 3.21Å; F754-I758 PolarHBondContact O-N 3.24Å; F754-L807 HydrophobicContact CE2-CD1 3.6Å; F754-L807 HydrophobicContact CZ-CD1 3.83Å; F754-R810 WeakPolarHBondContact CE1-O 3.29Å; F754-R810 HydrophobicContact CE2-CB 3.87Å; F754-R810 HydrophobicContact CZ-CB 3.72Å; F754-R810 WeakPolarHBondContact CZ-O 3.34Å; F754-V811 HydrophobicContact CE1-CG1 4.06Å; F754-V811 HydrophobicContact CZ-CG1 4.08Å |
| 755 | E | 90.3 | Very high | 85.1 | Confident | 54 Ų | 54 | 41.7 Ų | 41.7 | 25% | 0.252 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.5 | -46.9 | -178 | 173.4 | 170.7 | -159.8 | 0 | 0 | 113.5 | A757 I758 R759 | E755-A757 VanDerWaalsContact C-N 3.27Å; E755-A757 PolarHBondContact O-N 2.94Å; E755-I758 PolarHBondContact O-N 3.29Å; E755-R759 HydrophobicContact CG-CG 4.42Å; E755-R759 WeakPolarHBondContact O-CG 3.34Å; E755-R759 PolarHBondContact O-N 3.46Å; E755-R759 IonicContact OE1-CZ 3.15Å; E755-R759 IonicContact OE1-NE 3.29Å; E755-R759 PolarHBondContact OE1-NE 2.96Å; E755-R759 IonicContact OE1-NH2 2.64Å; E755-R759 PolarHBondContact OE1-NH2 3.22Å |
| 756 | P | 92.2 | Very high | 86.2 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 7% | 0.065 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.6 | -37 | 173.7 | -26.4 | 34.6 | 0 | 0 | 0 | 113.6 | A697 L700 A752 L760 | A697-P756 HydrophobicContact CB-CG 3.85Å; L700-P756 HydrophobicContact CB-CB 3.63Å; L700-P756 HydrophobicContact CD1-CB 3.93Å; L700-P756 HydrophobicContact CG-CB 4.44Å; A752-P756 VanDerWaalsContact O-CD 3.24Å; A752-P756 WeakPolarHBondContact O-CD 3.39Å; A752-P756 WeakPolarHBondContact O-CG 3.33Å; P756-L760 VanDerWaalsContact O-CB 3.32Å; P756-L760 WeakPolarHBondContact O-CB 2.86Å; P756-L760 PolarHBondContact O-N 3.37Å |
| 757 | A | 93.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.7 | -38.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L700 L739 L753 F754 E755 L760 W761 | L700-A757 HydrophobicContact CD1-CB 4.35Å; L739-A757 HydrophobicContact CD2-CB 3.83Å; L739-A757 HydrophobicContact CG-CB 3.97Å; L753-A757 WeakPolarHBondContact O-CB 3.47Å; L753-A757 PolarHBondContact O-N 3.4Å; F754-A757 PolarHBondContact O-N 3.42Å; E755-A757 VanDerWaalsContact C-N 3.27Å; E755-A757 PolarHBondContact O-N 2.94Å; A757-L760 PolarHBondContact O-N 3.04Å; A757-W761 PolarHBondContact O-N 2.8Å |
| 758 | I | 93.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.5 | -44.2 | 174.9 | -66.5 | 176.1 | 0 | 0 | 0 | 110.5 | L739 F754 E755 L760 W761 A762 L807 L819 I823 | L739-I758 HydrophobicContact CD2-CG1 4.14Å; F754-I758 HydrophobicContact CD1-CD1 3.77Å; F754-I758 HydrophobicContact CD2-CD1 4.21Å; F754-I758 HydrophobicContact CE1-CD1 3.33Å; F754-I758 HydrophobicContact CE2-CD1 3.83Å; F754-I758 HydrophobicContact CG-CD1 4.2Å; F754-I758 HydrophobicContact CZ-CD1 3.38Å; F754-I758 WeakPolarHBondContact O-CG1 3.21Å; F754-I758 PolarHBondContact O-N 3.24Å; E755-I758 PolarHBondContact O-N 3.29Å; I758-L760 VanDerWaalsContact C-N 3.31Å; I758-L760 PolarHBondContact O-N 2.93Å; I758-W761 WeakPolarHBondContact O-CB 3.23Å; I758-W761 PolarHBondContact O-N 2.82Å; I758-W761 VanDerWaalsContact O-N 3.14Å; I758-A762 PolarHBondContact O-N 3.02Å; I758-L807 HydrophobicContact CD1-CD1 4.07Å; I758-L807 HydrophobicContact CD1-CG 4.47Å; I758-L807 HydrophobicContact CG1-CD1 4.38Å; I758-L819 HydrophobicContact CG2-CB 3.43Å; I758-L819 VanDerWaalsContact CG2-CB 3.43Å; I758-L819 HydrophobicContact CG2-CD1 3.9Å; I758-L819 HydrophobicContact CG2-CG 4.26Å; I758-I823 HydrophobicContact CG2-CD1 3.6Å |
| 759 | R | 94.2 | Very high | 88.3 | Confident | 102 Ų | 102 | 27.1 Ų | 27.1 | 39% | 0.385 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.8 | -42.5 | 175.2 | -70.5 | 177.3 | -178.1 | -177.6 | -3 | 111.6 | C704 E755 W761 A762 S763 L819 | C704-R759 VanDerWaalsContact SG-C 3.55Å; C704-R759 PolarHBondContact SG-O 3.2Å; E755-R759 HydrophobicContact CG-CG 4.42Å; E755-R759 WeakPolarHBondContact O-CG 3.34Å; E755-R759 PolarHBondContact O-N 3.46Å; E755-R759 IonicContact OE1-CZ 3.15Å; E755-R759 IonicContact OE1-NE 3.29Å; E755-R759 PolarHBondContact OE1-NE 2.96Å; E755-R759 IonicContact OE1-NH2 2.64Å; E755-R759 PolarHBondContact OE1-NH2 3.22Å; R759-W761 VanDerWaalsContact C-N 3.33Å; R759-W761 PolarHBondContact O-N 2.74Å; R759-A762 PolarHBondContact O-N 3.24Å; R759-S763 PolarHBondContact O-N 3.46Å; R759-L819 HydrophobicContact CG-CD1 3.7Å; R759-L819 HydrophobicContact CG-CD2 4.33Å |
| 760 | L | 94.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 174.2 | 176.9 | 59 | 0 | 0 | 0 | 111.5 | L700 V703 C704 V707 V731 L734 I735 P756 A757 I758 S763 L764 | L700-L760 HydrophobicContact CD2-CD2 3.81Å; V703-L760 HydrophobicContact CB-CD1 4.26Å; V703-L760 HydrophobicContact CG1-CD1 3.73Å; V703-L760 HydrophobicContact CG1-CD2 4.25Å; C704-L760 HydrophobicContact CB-CB 4.21Å; C704-L760 HydrophobicContact CB-CD1 4.15Å; V707-L760 HydrophobicContact CG2-CD1 4.16Å; V731-L760 HydrophobicContact CG1-CD1 3.85Å; V731-L760 HydrophobicContact CG1-CD2 4.16Å; V731-L760 HydrophobicContact CG1-CG 3.93Å; L734-L760 HydrophobicContact CD2-CD2 4.02Å; L734-L760 HydrophobicContact CG-CD2 4.41Å; I735-L760 HydrophobicContact CD1-CG 4.13Å; I735-L760 HydrophobicContact CG1-CB 4.34Å; I735-L760 HydrophobicContact CG1-CD2 3.82Å; I735-L760 HydrophobicContact CG1-CG 3.84Å; P756-L760 VanDerWaalsContact O-CB 3.32Å; P756-L760 WeakPolarHBondContact O-CB 2.86Å; P756-L760 PolarHBondContact O-N 3.37Å; A757-L760 PolarHBondContact O-N 3.04Å; I758-L760 VanDerWaalsContact C-N 3.31Å; I758-L760 PolarHBondContact O-N 2.93Å; L760-S763 PolarHBondContact O-N 3.04Å; L760-S763 PolarHBondContact O-OG 2.83Å; L760-L764 PolarHBondContact O-N 3.37Å; L760-L764 VanDerWaalsContact O-N 3.1Å |
| 761 | W | 95 | Very high | 89.1 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64 | -44.7 | 174.5 | -170.9 | 0.6 | 0 | 0 | 0 | 112.1 | I735 L739 A757 I758 R759 S763 L764 V765 L779 L783 L807 I823 | I735-W761 HydrophobicContact CD1-CB 3.84Å; I735-W761 HydrophobicContact CD1-CG 4.29Å; I735-W761 HydrophobicContact CG1-CB 4.41Å; I735-W761 HydrophobicContact CG2-CB 4.16Å; I735-W761 HydrophobicContact CG2-CD2 4.49Å; I735-W761 HydrophobicContact CG2-CE3 4.27Å; I735-W761 HydrophobicContact CG2-CG 4.48Å; L739-W761 HydrophobicContact CD1-CE3 4.31Å; L739-W761 HydrophobicContact CD1-CZ3 4.38Å; A757-W761 PolarHBondContact O-N 2.8Å; I758-W761 WeakPolarHBondContact O-CB 3.23Å; I758-W761 PolarHBondContact O-N 2.82Å; I758-W761 VanDerWaalsContact O-N 3.14Å; R759-W761 VanDerWaalsContact C-N 3.33Å; R759-W761 PolarHBondContact O-N 2.74Å; W761-S763 VanDerWaalsContact C-N 3.3Å; W761-S763 PolarHBondContact O-N 3.18Å; W761-L764 WeakPolarHBondContact O-CB 3.25Å; W761-L764 PolarHBondContact O-N 3.37Å; W761-L764 VanDerWaalsContact O-N 3.08Å; W761-V765 PolarHBondContact O-N 3.43Å; W761-L779 HydrophobicContact CD2-CD1 4.11Å; W761-L779 HydrophobicContact CG-CD1 4.27Å; W761-L779 HydrophobicContact CH2-CB 3.65Å; W761-L779 WeakPolarHBondContact CH2-O 3.43Å; W761-L779 HydrophobicContact CZ2-CB 3.44Å; W761-L779 VanDerWaalsContact CZ2-CB 3.44Å; W761-L779 HydrophobicContact CZ2-CD1 4.24Å; W761-L779 HydrophobicContact CZ2-CG 4.39Å; W761-L779 HydrophobicContact CZ3-CB 4.36Å; W761-L783 HydrophobicContact CH2-CB 3.82Å; W761-L783 HydrophobicContact CH2-CD1 4.3Å; W761-L807 HydrophobicContact CE3-CD2 4.27Å; W761-L807 HydrophobicContact CZ3-CD2 3.85Å; W761-I823 HydrophobicContact CB-CD1 3.84Å; W761-I823 HydrophobicContact CB-CG1 4.18Å; W761-I823 HydrophobicContact CD2-CD1 3.84Å; W761-I823 HydrophobicContact CD2-CG1 4.18Å; W761-I823 HydrophobicContact CD2-CG2 3.55Å; W761-I823 HydrophobicContact CE3-CD1 3.92Å; W761-I823 HydrophobicContact CE3-CG2 4.12Å; W761-I823 HydrophobicContact CG-CD1 3.84Å; W761-I823 HydrophobicContact CG-CG1 3.95Å; W761-I823 HydrophobicContact CG-CG2 3.99Å; W761-I823 HydrophobicContact CH2-CG2 4.18Å; W761-I823 HydrophobicContact CZ2-CG2 3.56Å; W761-I823 HydrophobicContact CZ3-CG2 4.41Å |
| 762 | A | 93.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.9 | -47.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I758 R759 L764 V765 E766 L819 I823 | I758-A762 PolarHBondContact O-N 3.02Å; R759-A762 PolarHBondContact O-N 3.24Å; A762-L764 PolarHBondContact O-N 3.22Å; A762-V765 WeakPolarHBondContact O-CG2 3.48Å; A762-V765 PolarHBondContact O-N 2.98Å; A762-V765 VanDerWaalsContact O-N 3.1Å; A762-E766 VanDerWaalsContact O-CB 3.3Å; A762-E766 WeakPolarHBondContact O-CB 3.21Å; A762-E766 VanDerWaalsContact O-CG 3.23Å; A762-E766 WeakPolarHBondContact O-CG 3.38Å; A762-E766 PolarHBondContact O-N 3.12Å; A762-L819 HydrophobicContact CB-CD2 4.18Å; A762-I823 HydrophobicContact CB-CG1 4.02Å |
| 763 | S | 91.8 | Very high | 89.5 | Confident | 6 Ų | 6 | 21.3 Ų | 21.3 | 4% | 0.042 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.8 | -31 | 177.6 | 73.8 | 0 | 0 | 0 | 0 | 113.7 | V707 T708 N711 R759 L760 W761 V765 | V707-S763 WeakPolarHBondContact CG1-O 3.39Å; T708-S763 VanDerWaalsContact OG1-CB 3.23Å; T708-S763 WeakPolarHBondContact OG1-CB 3.28Å; N711-S763 PolarHBondContact ND2-O 3.46Å; R759-S763 PolarHBondContact O-N 3.46Å; L760-S763 PolarHBondContact O-N 3.04Å; L760-S763 PolarHBondContact O-OG 2.83Å; W761-S763 VanDerWaalsContact C-N 3.3Å; W761-S763 PolarHBondContact O-N 3.18Å; S763-V765 VanDerWaalsContact C-N 3.34Å |
| 764 | L | 91.4 | Very high | 89.4 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.9 | -31.8 | 178.7 | -178.4 | 67.4 | 0 | 0 | 0 | 112.5 | V707 N711 V731 I732 I735 L760 W761 A762 L776 | V707-L764 HydrophobicContact CG1-CB 4.49Å; N711-L764 PolarHBondContact ND2-O 2.94Å; V731-L764 HydrophobicContact CG1-CD1 4.3Å; V731-L764 HydrophobicContact CG1-CD2 4.33Å; I732-L764 HydrophobicContact CD1-CD2 4.32Å; I732-L764 HydrophobicContact CG1-CD2 3.71Å; I735-L764 HydrophobicContact CD1-CD2 4.2Å; L760-L764 PolarHBondContact O-N 3.37Å; L760-L764 VanDerWaalsContact O-N 3.1Å; W761-L764 WeakPolarHBondContact O-CB 3.25Å; W761-L764 PolarHBondContact O-N 3.37Å; W761-L764 VanDerWaalsContact O-N 3.08Å; A762-L764 PolarHBondContact O-N 3.22Å; L764-L776 HydrophobicContact CD2-CD1 4.11Å |
| 765 | V | 91.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -105.6 | -7.4 | -174.3 | -57.5 | 0 | 0 | 0 | 0 | 114 | W761 A762 S763 L776 R829 L830 | W761-V765 PolarHBondContact O-N 3.43Å; A762-V765 WeakPolarHBondContact O-CG2 3.48Å; A762-V765 PolarHBondContact O-N 2.98Å; A762-V765 VanDerWaalsContact O-N 3.1Å; S763-V765 VanDerWaalsContact C-N 3.34Å; V765-L776 HydrophobicContact CG1-CD1 3.88Å; V765-L776 HydrophobicContact CG1-CD2 3.98Å; V765-R829 PolarHBondContact O-NH2 3.37Å; V765-L830 HydrophobicContact CB-CD1 4.03Å; V765-L830 HydrophobicContact CG1-CD1 4.11Å |
| 766 | E | 88.9 | Confident | 89.3 | Confident | 55 Ų | 55 | 25.8 Ų | 25.8 | 26% | 0.257 | 14% | 0.143 | S | C | . | . | trans | -101.4 | 160.2 | 177.7 | -70.3 | 179.1 | 163.7 | 0 | 0 | 112.1 | N711 A762 S770 R822 | N711-E766 WeakPolarHBondContact CB-O 3.31Å; N711-E766 PolarHBondContact ND2-O 3.45Å; A762-E766 VanDerWaalsContact O-CB 3.3Å; A762-E766 WeakPolarHBondContact O-CB 3.21Å; A762-E766 VanDerWaalsContact O-CG 3.23Å; A762-E766 WeakPolarHBondContact O-CG 3.38Å; A762-E766 PolarHBondContact O-N 3.12Å; E766-S770 WeakPolarHBondContact O-CB 3.49Å; E766-R822 VanDerWaalsContact CD-NH2 3.25Å; E766-R822 WeakPolarHBondContact OE1-CB 3.34Å; E766-R822 IonicContact OE1-CZ 3.25Å; E766-R822 VanDerWaalsContact OE1-CZ 3.25Å; E766-R822 IonicContact OE1-NE 3.58Å; E766-R822 PolarHBondContact OE1-NE 3.48Å; E766-R822 IonicContact OE1-NH2 3.16Å; E766-R822 PolarHBondContact OE1-NH2 3.4Å; E766-R822 IonicContact OE2-CZ 2.61Å; E766-R822 IonicContact OE2-NE 3.8Å; E766-R822 IonicContact OE2-NH2 2.69Å; E766-R822 PolarHBondContact OE2-NH2 2.95Å | ||
| 767 | G | 83.9 | Confident | 89.1 | Confident | 22 Ų | 22 | 27.9 Ų | 27.9 | 23% | 0.227 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 101.6 | 165.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N711 S770 R829 | N711-G767 CarbonylContact O-C 3.58Å; N711-G767 WeakPolarHBondContact O-CA 3.44Å; G767-S770 PolarHBondContact O-OG 3.38Å; G767-R829 PolarHBondContact O-NH1 3.04Å; G767-R829 PolarHBondContact O-NH2 2.69Å |
| 768 | L | 80.7 | Confident | 88.9 | Confident | 56 Ų | 56 | 31.8 Ų | 31.8 | 29% | 0.293 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -71.8 | -35.7 | -179.3 | -66.5 | 172.5 | 0 | 0 | 0 | 111.5 | N711 N714 K833 | N711-L768 PolarHBondContact O-N 3.44Å; N714-L768 VanDerWaalsContact OD1-CD1 3.31Å; N714-L768 WeakPolarHBondContact OD1-CD1 3.39Å; L768-K833 PolarHBondContact O-NZ 2.93Å |
| 769 | N | 82.7 | Confident | 88.8 | Confident | 23 Ų | 23 | 31.8 Ų | 31.8 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -96 | -1.1 | -173.1 | -77.2 | -18.2 | 0 | 0 | 0 | 114.7 | N711 F713 L720 N724 A771 | N711-N769 PolarHBondContact O-N 2.9Å; F713-N769 PolarHBondContact O-ND2 2.99Å; L720-N769 HydrophobicContact CD1-CB 4.24Å; L720-N769 WeakPolarHBondContact CD1-ND2 3.31Å; L720-N769 HydrophobicContact CD2-CB 3.61Å; N724-N769 PolarHBondContact ND2-O 3.42Å; N769-A771 PolarHBondContact O-N 3.31Å |
| 770 | S | 86.8 | Confident | 88.7 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | trans | -58.6 | 134.3 | 172.3 | 58.3 | 0 | 0 | 0 | 0 | 109.9 | E766 G767 R829 L830 | E766-S770 WeakPolarHBondContact O-CB 3.49Å; G767-S770 PolarHBondContact O-OG 3.38Å; S770-R829 PolarHBondContact OG-NH2 2.97Å; S770-L830 WeakPolarHBondContact O-CD2 3.34Å; S770-L830 WeakPolarHBondContact OG-CD2 3.35Å | ||
| 771 | A | 84.8 | Confident | 88.5 | Confident | 39 Ų | 39 | 30 Ų | 30 | 32% | 0.322 | 18% | 0.175 | S | C | . | . | trans | -122 | 150.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H728 N769 S773 | H728-A771 PolarHBondContact CE1-O 3.11Å; H728-A771 VanDerWaalsContact CE1-O 3.32Å; N769-A771 PolarHBondContact O-N 3.31Å; A771-S773 PolarHBondContact O-N 2.86Å | ||
| 772 | W | 86.9 | Confident | 88.2 | Confident | 45 Ų | 45 | 30.4 Ų | 30.4 | 17% | 0.17 | 18% | 0.177 | C | C | . | . | trans | -65.2 | 133.4 | 172.3 | 178.9 | -100.5 | 0 | 0 | 0 | 110.9 | L776 I777 T827 L830 A831 A834 I838 F842 | W772-L776 HydrophobicContact CE3-CD2 4.03Å; W772-L776 HydrophobicContact CZ3-CD2 3.92Å; W772-I777 HydrophobicContact CH2-CG1 3.97Å; W772-I777 HydrophobicContact CZ2-CD1 3.88Å; W772-I777 HydrophobicContact CZ2-CG1 3.76Å; W772-T827 HydrophobicContact CZ3-CG2 4.09Å; W772-L830 HydrophobicContact CB-CB 4.38Å; W772-L830 HydrophobicContact CE3-CB 3.87Å; W772-A831 HydrophobicContact CE3-CB 4.09Å; W772-A831 HydrophobicContact CH2-CB 4.18Å; W772-A831 HydrophobicContact CZ3-CB 3.73Å; W772-A834 HydrophobicContact CB-CB 3.56Å; W772-A834 HydrophobicContact CD2-CB 4.35Å; W772-A834 HydrophobicContact CG-CB 3.62Å; W772-I838 HydrophobicContact CD2-CG2 4.11Å; W772-I838 HydrophobicContact CG-CG2 4.49Å; W772-I838 HydrophobicContact CH2-CG2 4.43Å; W772-I838 HydrophobicContact CZ2-CG2 3.7Å; W772-F842 AromaticContact CH2-CD2 3.9Å; W772-F842 HydrophobicContact CH2-CD2 3.9Å; W772-F842 HydrophobicContact CH2-CE2 4.41Å; W772-F842 HydrophobicContact CZ3-CD2 4.46Å | ||
| 773 | S | 86.4 | Confident | 88 | Confident | 14 Ų | 14 | 30.5 Ų | 30.5 | 10% | 0.098 | 18% | 0.178 | C | C | . | . | trans | -123.4 | 136.7 | 167.3 | 171.2 | 0 | 0 | 0 | 0 | 109.4 | H728 A771 D775 L776 | H728-S773 WeakPolarHBondContact ND1-CB 3.43Å; A771-S773 PolarHBondContact O-N 2.86Å; S773-D775 PolarHBondContact O-N 3.42Å; S773-D775 VanDerWaalsContact O-N 3.15Å; S773-D775 PolarHBondContact OG-N 3.42Å; S773-L776 WeakPolarHBondContact O-CB 3.36Å; S773-L776 PolarHBondContact O-N 2.88Å | ||
| 774 | P | 85.9 | Confident | 87.8 | Confident | 92 Ų | 92 | 30.5 Ų | 30.5 | 60% | 0.597 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -54.3 | -30.9 | 171.7 | -24.8 | 34.5 | 0 | 0 | 0 | 113.1 | L776 I777 | P774-L776 PolarHBondContact O-N 3.42Å; P774-I777 WeakPolarHBondContact O-CB 2.92Å; P774-I777 PolarHBondContact O-N 3.17Å |
| 775 | D | 87.8 | Confident | 87.4 | Confident | 65 Ų | 65 | 30.9 Ų | 30.9 | 35% | 0.348 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -66.8 | -21.7 | 179 | -68.1 | -32.5 | 0 | 0 | 0 | 112.8 | I732 S773 I777 N778 | I732-D775 HydrophobicContact CD1-CB 3.49Å; I732-D775 VanDerWaalsContact CD1-CB 3.49Å; S773-D775 PolarHBondContact O-N 3.42Å; S773-D775 VanDerWaalsContact O-N 3.15Å; S773-D775 PolarHBondContact OG-N 3.42Å; D775-I777 PolarHBondContact O-N 3.28Å; D775-N778 WeakPolarHBondContact O-CB 3.48Å; D775-N778 PolarHBondContact O-N 2.87Å; D775-N778 PolarHBondContact O-ND2 2.86Å |
| 776 | L | 88.9 | Confident | 86.9 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -60.4 | -32.1 | 177.6 | -172.9 | 63.1 | 0 | 0 | 0 | 111 | L764 V765 W772 S773 P774 N778 L779 T827 L830 | L764-L776 HydrophobicContact CD2-CD1 4.11Å; V765-L776 HydrophobicContact CG1-CD1 3.88Å; V765-L776 HydrophobicContact CG1-CD2 3.98Å; W772-L776 HydrophobicContact CE3-CD2 4.03Å; W772-L776 HydrophobicContact CZ3-CD2 3.92Å; S773-L776 WeakPolarHBondContact O-CB 3.36Å; S773-L776 PolarHBondContact O-N 2.88Å; P774-L776 PolarHBondContact O-N 3.42Å; L776-N778 PolarHBondContact O-N 3.11Å; L776-L779 HydrophobicContact CD1-CD1 4.14Å; L776-L779 WeakPolarHBondContact O-CB 3.43Å; L776-L779 PolarHBondContact O-N 2.97Å; L776-T827 HydrophobicContact CD2-CG2 3.86Å; L776-T827 HydrophobicContact CG-CG2 4.3Å; L776-L830 HydrophobicContact CD2-CD1 4.17Å |
| 777 | I | 88.8 | Confident | 86.3 | Confident | 55 Ų | 55 | 30.5 Ų | 30.5 | 28% | 0.282 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -58 | -30.2 | 174.6 | -63.2 | 169.6 | 0 | 0 | 0 | 111 | W772 P774 D775 L779 M780 P781 W846 | W772-I777 HydrophobicContact CH2-CG1 3.97Å; W772-I777 HydrophobicContact CZ2-CD1 3.88Å; W772-I777 HydrophobicContact CZ2-CG1 3.76Å; P774-I777 WeakPolarHBondContact O-CB 2.92Å; P774-I777 PolarHBondContact O-N 3.17Å; D775-I777 PolarHBondContact O-N 3.28Å; I777-L779 PolarHBondContact O-N 3.04Å; I777-M780 WeakPolarHBondContact O-CB 3.45Å; I777-M780 PolarHBondContact O-N 3.28Å; I777-P781 WeakPolarHBondContact O-CD 3.4Å; I777-W846 HydrophobicContact CG2-CZ2 3.85Å |
| 778 | N | 89.5 | Confident | 85.8 | Confident | 82 Ų | 82 | 32 Ų | 32 | 44% | 0.439 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -67.5 | -16.1 | 179.8 | -57.3 | -37.1 | 0 | 0 | 0 | 113 | Q736 D775 L776 | Q736-N778 VanDerWaalsContact NE2-CB 3.32Å; Q736-N778 PolarHBondContact NE2-O 3.38Å; D775-N778 WeakPolarHBondContact O-CB 3.48Å; D775-N778 PolarHBondContact O-N 2.87Å; D775-N778 PolarHBondContact O-ND2 2.86Å; L776-N778 PolarHBondContact O-N 3.11Å |
| 779 | L | 91.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -86 | -20.8 | 173.8 | -70.1 | 171.7 | 0 | 0 | 0 | 112.8 | I732 I735 Q736 W761 L776 I777 I782 L783 | I732-L779 HydrophobicContact CB-CD1 4.47Å; I732-L779 HydrophobicContact CG1-CD1 4.08Å; I732-L779 HydrophobicContact CG2-CD1 4.18Å; I732-L779 HydrophobicContact CG2-CD2 4.44Å; I732-L779 HydrophobicContact CG2-CG 4Å; I735-L779 HydrophobicContact CB-CD2 4.12Å; I735-L779 HydrophobicContact CD1-CD1 4.15Å; I735-L779 HydrophobicContact CG2-CD1 4.3Å; I735-L779 HydrophobicContact CG2-CD2 3.67Å; Q736-L779 HydrophobicContact CB-CD2 4.47Å; Q736-L779 HydrophobicContact CG-CD2 3.37Å; Q736-L779 HydrophobicContact CG-CG 4.39Å; W761-L779 HydrophobicContact CD2-CD1 4.11Å; W761-L779 HydrophobicContact CG-CD1 4.27Å; W761-L779 HydrophobicContact CH2-CB 3.65Å; W761-L779 WeakPolarHBondContact CH2-O 3.43Å; W761-L779 HydrophobicContact CZ2-CB 3.44Å; W761-L779 VanDerWaalsContact CZ2-CB 3.44Å; W761-L779 HydrophobicContact CZ2-CD1 4.24Å; W761-L779 HydrophobicContact CZ2-CG 4.39Å; W761-L779 HydrophobicContact CZ3-CB 4.36Å; L776-L779 HydrophobicContact CD1-CD1 4.14Å; L776-L779 WeakPolarHBondContact O-CB 3.43Å; L776-L779 PolarHBondContact O-N 2.97Å; I777-L779 PolarHBondContact O-N 3.04Å; L779-I782 HydrophobicContact CD2-CD1 4.19Å; L779-I782 WeakPolarHBondContact O-CB 3.38Å; L779-I782 PolarHBondContact O-N 3.18Å; L779-L783 PolarHBondContact O-N 3.02Å |
| 780 | M | 91.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.3 | -39.3 | -177.2 | -65.8 | -59.2 | -64.3 | 0 | 0 | 114.2 | I777 I782 L783 V784 T827 F842 W846 | I777-M780 WeakPolarHBondContact O-CB 3.45Å; I777-M780 PolarHBondContact O-N 3.28Å; M780-I782 PolarHBondContact O-N 2.96Å; M780-L783 HydrophobicContact CE-CD2 3.8Å; M780-L783 WeakPolarHBondContact O-CB 3.4Å; M780-L783 PolarHBondContact O-N 3.44Å; M780-L783 HydrophobicContact SD-CD2 3.99Å; M780-V784 WeakPolarHBondContact O-CG2 3.19Å; M780-V784 PolarHBondContact O-N 3.14Å; M780-T827 HydrophobicContact SD-CG2 4.13Å; M780-F842 HydrophobicContact CE-CE2 3.84Å; M780-F842 HydrophobicContact CE-CZ 3.92Å; M780-F842 HydrophobicContact CG-CE2 4.39Å; M780-F842 HydrophobicContact SD-CE2 3.95Å; M780-F842 HydrophobicContact SD-CZ 4.35Å; M780-W846 HydrophobicContact CB-CD2 3.66Å; M780-W846 VanDerWaalsContact CB-CE2 3.49Å; M780-W846 HydrophobicContact CB-CE3 3.72Å; M780-W846 HydrophobicContact CB-CG 4.49Å; M780-W846 HydrophobicContact CB-CH2 3.49Å; M780-W846 VanDerWaalsContact CB-CH2 3.49Å; M780-W846 HydrophobicContact CB-CZ2 3.43Å; M780-W846 VanDerWaalsContact CB-CZ2 3.43Å; M780-W846 HydrophobicContact CB-CZ3 3.63Å; M780-W846 HydrophobicContact CE-CB 3.77Å; M780-W846 HydrophobicContact CE-CD2 3.86Å; M780-W846 HydrophobicContact CE-CE3 4.2Å; M780-W846 HydrophobicContact CE-CG 3.65Å; M780-W846 HydrophobicContact CG-CD2 4.04Å; M780-W846 HydrophobicContact CG-CG 4.4Å; M780-W846 HydrophobicContact CG-CZ2 4.12Å |
| 781 | P | 89.5 | Confident | 83.7 | Confident | 64 Ų | 64 | 37.1 Ų | 37.1 | 42% | 0.416 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.3 | -29.3 | 172.6 | -26.5 | 35.3 | 0 | 0 | 0 | 114.3 | I777 G785 W846 | I777-P781 WeakPolarHBondContact O-CD 3.4Å; P781-G785 VanDerWaalsContact O-CA 3.32Å; P781-G785 WeakPolarHBondContact O-CA 3.43Å; P781-G785 PolarHBondContact O-N 3.31Å; P781-W846 HydrophobicContact CG-CH2 4.03Å |
| 782 | I | 88.8 | Confident | 82.9 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -75.7 | -39.7 | 175.8 | -56.4 | 176.7 | 0 | 0 | 0 | 110.1 | Q736 L739 Y740 L779 M780 V784 L807 | Q736-I782 HydrophobicContact CB-CD1 4.25Å; Q736-I782 HydrophobicContact CG-CD1 3.88Å; L739-I782 HydrophobicContact CB-CG2 4.32Å; L739-I782 HydrophobicContact CD1-CG2 3.81Å; Y740-I782 HydrophobicContact CE1-CD1 3.99Å; Y740-I782 HydrophobicContact CE1-CG1 3.95Å; Y740-I782 HydrophobicContact CE2-CD1 4.14Å; L779-I782 HydrophobicContact CD2-CD1 4.19Å; L779-I782 WeakPolarHBondContact O-CB 3.38Å; L779-I782 PolarHBondContact O-N 3.18Å; M780-I782 PolarHBondContact O-N 2.96Å; I782-V784 PolarHBondContact O-N 2.91Å; I782-L807 PolarHBondContact O-N 3.38Å |
| 783 | L | 89.7 | Confident | 81.8 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.2 | -47.9 | 176.4 | -169.6 | 61.8 | 0 | 0 | 0 | 111.4 | W761 L779 M780 L807 V820 A824 F850 | W761-L783 HydrophobicContact CH2-CB 3.82Å; W761-L783 HydrophobicContact CH2-CD1 4.3Å; L779-L783 PolarHBondContact O-N 3.02Å; M780-L783 HydrophobicContact CE-CD2 3.8Å; M780-L783 WeakPolarHBondContact O-CB 3.4Å; M780-L783 PolarHBondContact O-N 3.44Å; M780-L783 HydrophobicContact SD-CD2 3.99Å; L783-L807 HydrophobicContact CD1-CB 4.28Å; L783-L807 HydrophobicContact CD1-CD2 3.9Å; L783-L807 PolarHBondContact O-N 3.42Å; L783-L807 VanDerWaalsContact O-N 3.08Å; L783-V820 HydrophobicContact CD1-CG1 3.85Å; L783-A824 HydrophobicContact CD2-CB 4.43Å; L783-F850 HydrophobicContact CD1-CE2 4.35Å; L783-F850 HydrophobicContact CD2-CD2 3.82Å; L783-F850 HydrophobicContact CD2-CE2 3.88Å; L783-F850 HydrophobicContact CG-CD2 3.99Å; L783-F850 HydrophobicContact CG-CE2 4.04Å |
| 784 | V | 87.8 | Confident | 80.3 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -94.9 | -23.1 | -170.6 | -51.1 | 0 | 0 | 0 | 0 | 114 | M780 I782 S787 P806 W846 P849 F850 S853 | M780-V784 WeakPolarHBondContact O-CG2 3.19Å; M780-V784 PolarHBondContact O-N 3.14Å; I782-V784 PolarHBondContact O-N 2.91Å; V784-S787 VanDerWaalsContact O-CB 3.25Å; V784-S787 WeakPolarHBondContact O-CB 3.23Å; V784-S787 PolarHBondContact O-OG 2.91Å; V784-P806 WeakPolarHBondContact O-CB 3.46Å; V784-W846 HydrophobicContact CG1-CE3 4.2Å; V784-W846 HydrophobicContact CG2-CE3 4.15Å; V784-W846 HydrophobicContact CG2-CZ3 3.83Å; V784-P849 HydrophobicContact CB-CB 3.83Å; V784-P849 HydrophobicContact CG1-CB 4.04Å; V784-P849 HydrophobicContact CG2-CB 3.79Å; V784-F850 HydrophobicContact CG1-CB 3.96Å; V784-F850 HydrophobicContact CG1-CD2 4.42Å; V784-S853 PolarHBondContact O-OG 3.18Å; V784-S853 VanDerWaalsContact O-OG 3.04Å |
| 785 | G | 83.6 | Confident | 78.7 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | -156.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P781 S787 | P781-G785 VanDerWaalsContact O-CA 3.32Å; P781-G785 WeakPolarHBondContact O-CA 3.43Å; P781-G785 PolarHBondContact O-N 3.31Å; G785-S787 PolarHBondContact O-N 2.85Å |
| 786 | D | 80.7 | Confident | 77 | Confident | 45 Ų | 45 | 42.3 Ų | 42.3 | 24% | 0.241 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 35.4 | 172.9 | -73.1 | -58.3 | 0 | 0 | 0 | 112 | V788 R789 L790 L803 K804 | D786-V788 VanDerWaalsContact C-N 3.32Å; D786-V788 PolarHBondContact O-N 3.1Å; D786-R789 HydrophobicContact CB-CB 4.43Å; D786-R789 PolarHBondContact O-N 3.47Å; D786-L790 WeakPolarHBondContact O-CG 3.24Å; D786-L790 PolarHBondContact O-N 3.43Å; D786-L803 HydrophobicContact CB-CB 4.04Å; D786-L803 HydrophobicContact CB-CD2 3.86Å; D786-L803 HydrophobicContact CB-CG 4.49Å; D786-K804 PolarHBondContact N-O 2.9Å; D786-K804 PolarHBondContact OD2-N 3.04Å |
| 787 | S | 76.1 | Confident | 75.1 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53.8 | -42.2 | -171 | 62 | 0 | 0 | 0 | 0 | 114.4 | V784 G785 R789 L790 M791 P849 V852 S853 I856 | V784-S787 VanDerWaalsContact O-CB 3.25Å; V784-S787 WeakPolarHBondContact O-CB 3.23Å; V784-S787 PolarHBondContact O-OG 2.91Å; G785-S787 PolarHBondContact O-N 2.85Å; S787-R789 PolarHBondContact O-N 3.24Å; S787-L790 WeakPolarHBondContact O-CB 3.33Å; S787-L790 PolarHBondContact O-N 2.9Å; S787-M791 WeakPolarHBondContact O-CB 3.46Å; S787-M791 PolarHBondContact O-N 2.93Å; S787-P849 PolarHBondContact OG-O 3.31Å; S787-V852 VanDerWaalsContact O-CG1 3.32Å; S787-V852 WeakPolarHBondContact O-CG1 3.42Å; S787-S853 WeakPolarHBondContact CB-OG 3.4Å; S787-S853 PolarHBondContact OG-OG 3.42Å; S787-I856 WeakPolarHBondContact O-CD1 3.47Å |
| 788 | V | 73.9 | Confident | 73.3 | Confident | 53 Ų | 53 | 48 Ų | 48 | 32% | 0.321 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 177.7 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | D786 M791 E792 P849 | D786-V788 VanDerWaalsContact C-N 3.32Å; D786-V788 PolarHBondContact O-N 3.1Å; V788-M791 WeakPolarHBondContact O-CB 3.42Å; V788-M791 PolarHBondContact O-N 3.02Å; V788-E792 WeakPolarHBondContact O-CG 3.29Å; V788-E792 PolarHBondContact O-N 2.94Å; V788-P849 HydrophobicContact CG2-CB 4.29Å; V788-P849 HydrophobicContact CG2-CG 4.22Å |
| 789 | R | 72.7 | Confident | 71.4 | Confident | 152 Ų | 152 | 46.9 Ų | 46.9 | 57% | 0.574 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70 | -38.4 | 177.3 | -69.3 | -179.7 | 174 | 176.2 | -0.6 | 112 | D786 S787 M791 E792 T793 L803 | D786-R789 HydrophobicContact CB-CB 4.43Å; D786-R789 PolarHBondContact O-N 3.47Å; S787-R789 PolarHBondContact O-N 3.24Å; R789-M791 PolarHBondContact O-N 3.16Å; R789-E792 PolarHBondContact O-N 3.48Å; R789-T793 WeakPolarHBondContact O-CG2 3.3Å; R789-T793 PolarHBondContact O-N 2.74Å; R789-T793 PolarHBondContact O-OG1 2.93Å; R789-L803 HydrophobicContact CB-CD2 4.09Å |
| 790 | L | 65.9 | Low | 69.6 | Low | 19 Ų | 19 | 48.5 Ų | 48.5 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.3 | -34.6 | 173.2 | -73.6 | 165.1 | 0 | 0 | 0 | 111.5 | D786 S787 T793 L803 I856 | D786-L790 WeakPolarHBondContact O-CG 3.24Å; D786-L790 PolarHBondContact O-N 3.43Å; S787-L790 WeakPolarHBondContact O-CB 3.33Å; S787-L790 PolarHBondContact O-N 2.9Å; L790-T793 PolarHBondContact O-OG1 3.47Å; L790-T793 VanDerWaalsContact O-OG1 3.11Å; L790-L803 HydrophobicContact CD2-CB 3.92Å; L790-L803 HydrophobicContact CD2-CD1 3.59Å; L790-L803 HydrophobicContact CD2-CG 4.41Å; L790-L803 HydrophobicContact CG-CB 4.23Å; L790-L803 HydrophobicContact CG-CD1 3.98Å; L790-I856 HydrophobicContact CB-CD1 4.07Å |
| 791 | M | 67.2 | Low | 68 | Low | 18 Ų | 18 | 56 Ų | 56 | 9% | 0.089 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -74.1 | -38.3 | 175.4 | -174.2 | 174.8 | -161.2 | 0 | 0 | 113 | S787 V788 R789 G794 V852 L855 I856 W861 H994 L997 | S787-M791 WeakPolarHBondContact O-CB 3.46Å; S787-M791 PolarHBondContact O-N 2.93Å; V788-M791 WeakPolarHBondContact O-CB 3.42Å; V788-M791 PolarHBondContact O-N 3.02Å; R789-M791 PolarHBondContact O-N 3.16Å; M791-G794 PolarHBondContact O-N 2.85Å; M791-V852 HydrophobicContact CB-CG1 3.84Å; M791-V852 HydrophobicContact CG-CG1 4.37Å; M791-V852 HydrophobicContact SD-CB 4.41Å; M791-V852 HydrophobicContact SD-CG1 3.68Å; M791-V852 HydrophobicContact SD-CG2 3.81Å; M791-L855 HydrophobicContact CE-CD2 3.92Å; M791-I856 HydrophobicContact CB-CD1 4.4Å; M791-W861 HydrophobicContact CB-CZ3 4.33Å; M791-W861 HydrophobicContact CE-CH2 4.47Å; M791-W861 HydrophobicContact CG-CH2 4.23Å; M791-W861 HydrophobicContact CG-CZ3 3.91Å; M791-H994 PolarHBondContact O-ND1 3.38Å; M791-L997 HydrophobicContact CE-CD1 3.1Å |
| 792 | E | 67.4 | Low | 66.8 | Low | 139 Ų | 139 | 60.3 Ų | 60.3 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67 | -34.8 | 175.4 | -73.2 | 175.8 | 171.6 | 0 | 0 | 112.7 | V788 R789 G794 | V788-E792 WeakPolarHBondContact O-CG 3.29Å; V788-E792 PolarHBondContact O-N 2.94Å; R789-E792 PolarHBondContact O-N 3.48Å; E792-G794 PolarHBondContact O-N 3.27Å |
| 793 | T | 62.9 | Low | 66 | Low | 48 Ų | 48 | 61 Ų | 61 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 0.5 | 177.1 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | R789 L790 G795 D796 V799 | R789-T793 WeakPolarHBondContact O-CG2 3.3Å; R789-T793 PolarHBondContact O-N 2.74Å; R789-T793 PolarHBondContact O-OG1 2.93Å; L790-T793 PolarHBondContact O-OG1 3.47Å; L790-T793 VanDerWaalsContact O-OG1 3.11Å; T793-G795 PolarHBondContact O-N 3.41Å; T793-G795 VanDerWaalsContact O-N 3.13Å; T793-D796 WeakPolarHBondContact O-CB 3.44Å; T793-D796 PolarHBondContact O-N 3.45Å; T793-D796 VanDerWaalsContact O-N 3.11Å; T793-V799 HydrophobicContact CG2-CG1 4.4Å |
| 794 | G | 56.5 | Low | 65.3 | Low | 52 Ų | 52 | 65.2 Ų | 65.2 | 54% | 0.536 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 20.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | M791 E792 | M791-G794 PolarHBondContact O-N 2.85Å; E792-G794 PolarHBondContact O-N 3.27Å |
| 795 | G | 52.3 | Low | 64.8 | Low | 29 Ų | 29 | 69 Ų | 69 | 30% | 0.299 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 13.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T793 L797 | T793-G795 PolarHBondContact O-N 3.41Å; T793-G795 VanDerWaalsContact O-N 3.13Å; G795-L797 PolarHBondContact O-N 3.4Å |
| 796 | D | 51.9 | Low | 64.8 | Low | 97 Ų | 97 | 68.3 Ų | 68.3 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | trans | -65.9 | 106 | 176.7 | -163.1 | -27.1 | 0 | 0 | 0 | 111.4 | T793 S798 V799 | T793-D796 WeakPolarHBondContact O-CB 3.44Å; T793-D796 PolarHBondContact O-N 3.45Å; T793-D796 VanDerWaalsContact O-N 3.11Å; D796-S798 PolarHBondContact O-N 3.33Å; D796-S798 PolarHBondContact OD1-N 2.84Å; D796-S798 PolarHBondContact OD1-OG 3.12Å; D796-V799 PolarHBondContact O-N 3.16Å | ||
| 797 | L | 47.8 | Very low | 65 | Low | 86 Ų | 86 | 66.2 Ų | 66.2 | 45% | 0.45 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68 | -10.4 | -174.4 | -68.9 | 163.5 | 0 | 0 | 0 | 114.3 | G795 V799 S800 P864 | G795-L797 PolarHBondContact O-N 3.4Å; L797-V799 PolarHBondContact O-N 2.94Å; L797-S800 PolarHBondContact O-N 3.13Å; L797-S800 PolarHBondContact O-OG 3.37Å; L797-P864 HydrophobicContact CD1-CG 3.3Å |
| 798 | S | 51.9 | Low | 65.4 | Low | 93 Ų | 93 | 66.4 Ų | 66.4 | 65% | 0.65 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64 | -26.2 | 173.2 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | D796 | D796-S798 PolarHBondContact O-N 3.33Å; D796-S798 PolarHBondContact OD1-N 2.84Å; D796-S798 PolarHBondContact OD1-OG 3.12Å |
| 799 | V | 50.2 | Low | 65.4 | Low | 58 Ų | 58 | 64.2 Ų | 64.2 | 35% | 0.352 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -96.9 | -17.1 | 179 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | T793 D796 L797 N801 L802 L803 | T793-V799 HydrophobicContact CG2-CG1 4.4Å; D796-V799 PolarHBondContact O-N 3.16Å; L797-V799 PolarHBondContact O-N 2.94Å; V799-N801 VanDerWaalsContact C-N 3.27Å; V799-N801 PolarHBondContact O-N 3.48Å; V799-N801 VanDerWaalsContact O-N 3.17Å; V799-L802 PolarHBondContact O-N 3.42Å; V799-L802 VanDerWaalsContact O-N 3.13Å; V799-L803 HydrophobicContact CG1-CD1 4.12Å; V799-L803 HydrophobicContact CG1-CG 4.41Å |
| 800 | S | 52.7 | Low | 65.8 | Low | 34 Ų | 34 | 58.5 Ų | 58.5 | 24% | 0.238 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.9 | -28.5 | -170 | 67.1 | 0 | 0 | 0 | 0 | 114.1 | L797 L802 L803 | L797-S800 PolarHBondContact O-N 3.13Å; L797-S800 PolarHBondContact O-OG 3.37Å; S800-L802 PolarHBondContact O-N 3.09Å; S800-L802 VanDerWaalsContact O-N 3.15Å; S800-L803 PolarHBondContact O-N 3.32Å; S800-L803 VanDerWaalsContact O-N 3.1Å |
| 801 | N | 58.8 | Low | 66.5 | Low | 156 Ų | 156 | 58 Ų | 58 | 83% | 0.834 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.2 | 179.7 | -69.1 | -14.9 | 0 | 0 | 0 | 113.5 | V799 | V799-N801 VanDerWaalsContact C-N 3.27Å; V799-N801 PolarHBondContact O-N 3.48Å; V799-N801 VanDerWaalsContact O-N 3.17Å |
| 802 | L | 65.2 | Low | 66.9 | Low | 156 Ų | 156 | 62.3 Ų | 62.3 | 82% | 0.817 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -13.5 | 176.3 | -70.9 | 167.6 | 0 | 0 | 0 | 113.3 | V799 S800 | V799-L802 PolarHBondContact O-N 3.42Å; V799-L802 VanDerWaalsContact O-N 3.13Å; S800-L802 PolarHBondContact O-N 3.09Å; S800-L802 VanDerWaalsContact O-N 3.15Å |
| 803 | L | 70.5 | Confident | 67.2 | Low | 23 Ų | 23 | 57.5 Ų | 57.5 | 12% | 0.12 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -100.6 | 131.6 | -173.6 | -63.8 | 174.8 | 0 | 0 | 0 | 110.1 | D786 R789 L790 V799 S800 | D786-L803 HydrophobicContact CB-CB 4.04Å; D786-L803 HydrophobicContact CB-CD2 3.86Å; D786-L803 HydrophobicContact CB-CG 4.49Å; R789-L803 HydrophobicContact CB-CD2 4.09Å; L790-L803 HydrophobicContact CD2-CB 3.92Å; L790-L803 HydrophobicContact CD2-CD1 3.59Å; L790-L803 HydrophobicContact CD2-CG 4.41Å; L790-L803 HydrophobicContact CG-CB 4.23Å; L790-L803 HydrophobicContact CG-CD1 3.98Å; V799-L803 HydrophobicContact CG1-CD1 4.12Å; V799-L803 HydrophobicContact CG1-CG 4.41Å; S800-L803 PolarHBondContact O-N 3.32Å; S800-L803 VanDerWaalsContact O-N 3.1Å |
| 804 | K | 75.7 | Confident | 67.6 | Low | 92 Ų | 92 | 56.4 Ų | 56.4 | 40% | 0.4 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -74 | 128.4 | 178.2 | -68 | -170.8 | 177 | -168.6 | 0 | 110.6 | D786 | D786-K804 PolarHBondContact N-O 2.9Å; D786-K804 PolarHBondContact OD2-N 3.04Å |
| 805 | Q | 77 | Confident | 68.7 | Low | 83 Ų | 83 | 60.8 Ų | 60.8 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 142 | 175.1 | -69.1 | -174 | -3.8 | 0 | 0 | 110.8 | R810 | Q805-R810 HydrophobicContact CB-CG 4.18Š|
| 806 | P | 83.2 | Confident | 70.2 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 154 | 170.5 | 24.7 | -32.9 | 0 | 0 | 0 | 111.3 | V784 L808 G809 S853 | V784-P806 WeakPolarHBondContact O-CB 3.46Å; P806-L808 PolarHBondContact O-N 3.35Å; P806-G809 WeakPolarHBondContact O-CA 3.35Å; P806-G809 PolarHBondContact O-N 3.02Å; P806-S853 WeakPolarHBondContact CB-OG 3.42Å |
| 807 | L | 86.5 | Confident | 71.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -55.4 | -39.6 | 178.9 | -172.6 | 64.8 | 0 | 0 | 0 | 112.4 | L739 F754 I758 W761 I782 L783 G809 R810 V820 | L739-L807 HydrophobicContact CD2-CD1 4.42Å; F754-L807 HydrophobicContact CE2-CD1 3.6Å; F754-L807 HydrophobicContact CZ-CD1 3.83Å; I758-L807 HydrophobicContact CD1-CD1 4.07Å; I758-L807 HydrophobicContact CD1-CG 4.47Å; I758-L807 HydrophobicContact CG1-CD1 4.38Å; W761-L807 HydrophobicContact CE3-CD2 4.27Å; W761-L807 HydrophobicContact CZ3-CD2 3.85Å; I782-L807 PolarHBondContact O-N 3.38Å; L783-L807 HydrophobicContact CD1-CB 4.28Å; L783-L807 HydrophobicContact CD1-CD2 3.9Å; L783-L807 PolarHBondContact O-N 3.42Å; L783-L807 VanDerWaalsContact O-N 3.08Å; L807-G809 PolarHBondContact O-N 3.43Å; L807-R810 WeakPolarHBondContact O-CB 3.35Å; L807-R810 PolarHBondContact O-N 2.76Å; L807-V820 HydrophobicContact CD2-CG1 4.48Å; L807-V820 HydrophobicContact CD2-CG2 3.89Å; L807-V820 HydrophobicContact CG-CG2 3.97Å |
| 808 | L | 82.6 | Confident | 73.5 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -64.5 | -26.1 | 176.3 | -170.8 | 66.9 | 0 | 0 | 0 | 113.1 | P806 R810 V811 A817 V820 F821 I854 V857 L874 | P806-L808 PolarHBondContact O-N 3.35Å; L808-R810 PolarHBondContact O-N 3.47Å; L808-V811 HydrophobicContact CD1-CG2 4.41Å; L808-V811 WeakPolarHBondContact O-CG2 3.43Å; L808-A817 HydrophobicContact CD1-CB 4.38Å; L808-V820 HydrophobicContact CD1-CG1 4.43Å; L808-F821 HydrophobicContact CD1-CE1 4.47Å; L808-F821 HydrophobicContact CD1-CZ 4.07Å; L808-I854 HydrophobicContact CD2-CB 4.49Å; L808-I854 HydrophobicContact CD2-CG1 3.72Å; L808-V857 HydrophobicContact CD2-CB 4.42Å; L808-V857 HydrophobicContact CD2-CG2 4.22Å; L808-V857 HydrophobicContact CG-CG2 4.31Å; L808-L874 HydrophobicContact CD2-CD1 4.34Å |
| 809 | G | 75.6 | Confident | 75.3 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -78.4 | -6.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P806 L807 | P806-G809 WeakPolarHBondContact O-CA 3.35Å; P806-G809 PolarHBondContact O-N 3.02Å; L807-G809 PolarHBondContact O-N 3.43Å |
| 810 | R | 79.9 | Confident | 77.3 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -107.3 | -3.3 | -176.3 | -63.2 | 167.2 | 52 | 162.8 | 4.7 | 113.6 | L739 E743 F754 Q805 L807 L808 | L739-R810 PolarHBondContact O-NH2 2.79Å; E743-R810 IonicContact OE2-CZ 2.81Å; E743-R810 IonicContact OE2-NH1 2.9Å; E743-R810 PolarHBondContact OE2-NH1 2.8Å; F754-R810 WeakPolarHBondContact CE1-O 3.29Å; F754-R810 HydrophobicContact CE2-CB 3.87Å; F754-R810 HydrophobicContact CZ-CB 3.72Å; F754-R810 WeakPolarHBondContact CZ-O 3.34Å; Q805-R810 HydrophobicContact CB-CG 4.18Å; L807-R810 WeakPolarHBondContact O-CB 3.35Å; L807-R810 PolarHBondContact O-N 2.76Å; L808-R810 PolarHBondContact O-N 3.47Å |
| 811 | V | 81.2 | Confident | 79.1 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | trans | -85.6 | 142.2 | -177.9 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | F754 L808 Q816 A817 V820 L871 | F754-V811 HydrophobicContact CE1-CG1 4.06Å; F754-V811 HydrophobicContact CZ-CG1 4.08Å; L808-V811 HydrophobicContact CD1-CG2 4.41Å; L808-V811 WeakPolarHBondContact O-CG2 3.43Å; V811-Q816 HydrophobicContact CB-CB 3.83Å; V811-Q816 HydrophobicContact CG1-CB 3.96Å; V811-A817 HydrophobicContact CG2-CB 4.21Å; V811-V820 HydrophobicContact CG1-CG2 3.87Å; V811-L871 HydrophobicContact CG2-CD1 4.21Å | ||
| 812 | D | 74.5 | Confident | 80.6 | Confident | 108 Ų | 108 | 40.7 Ų | 40.7 | 58% | 0.578 | 21% | 0.207 | S | C | * | . | trans | -108 | -4.2 | -177.9 | -61.4 | -35 | 0 | 0 | 0 | 112.9 | V869 | D812-V869 WeakPolarHBondContact O-CG2 3.23Š| ||
| 813 | S | 75.2 | Confident | 81.9 | Confident | 38 Ų | 38 | 33.2 Ų | 33.2 | 27% | 0.266 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -144.7 | 157.8 | -178.9 | 80.8 | 0 | 0 | 0 | 0 | 113.6 | E815 Q816 A817 | S813-E815 VanDerWaalsContact C-N 3.26Å; S813-E815 PolarHBondContact O-N 3.41Å; S813-Q816 PolarHBondContact O-N 3.05Å; S813-Q816 WeakPolarHBondContact OG-CG 3.31Å; S813-Q816 PolarHBondContact OG-N 3.4Å; S813-A817 PolarHBondContact O-N 3.27Å |
| 814 | G | 71.7 | Confident | 83 | Confident | 25 Ų | 25 | 32.2 Ų | 32.2 | 26% | 0.258 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.7 | -30.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | A817 D818 | G814-A817 PolarHBondContact O-N 3.06Å; G814-D818 PolarHBondContact O-N 3.12Å |
| 815 | E | 78.6 | Confident | 83.8 | Confident | 144 Ų | 144 | 28.5 Ų | 28.5 | 67% | 0.673 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -68.1 | -39.4 | 174.6 | -64.1 | -177.7 | 170.5 | 0 | 0 | 111.9 | S813 D818 L819 | S813-E815 VanDerWaalsContact C-N 3.26Å; S813-E815 PolarHBondContact O-N 3.41Å; E815-D818 WeakPolarHBondContact O-CB 3.34Å; E815-D818 PolarHBondContact O-N 3.3Å; E815-L819 PolarHBondContact O-N 3.38Å |
| 816 | Q | 84.7 | Confident | 84.4 | Confident | 20 Ų | 20 | 24.6 Ų | 24.6 | 9% | 0.093 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.3 | -39.2 | 174.3 | -71.1 | 175.8 | 0.5 | 0 | 0 | 111.4 | V811 S813 D818 L819 V820 | V811-Q816 HydrophobicContact CB-CB 3.83Å; V811-Q816 HydrophobicContact CG1-CB 3.96Å; S813-Q816 PolarHBondContact O-N 3.05Å; S813-Q816 WeakPolarHBondContact OG-CG 3.31Å; S813-Q816 PolarHBondContact OG-N 3.4Å; Q816-D818 VanDerWaalsContact C-N 3.3Å; Q816-D818 PolarHBondContact O-N 3.08Å; Q816-L819 WeakPolarHBondContact O-CB 3.37Å; Q816-L819 PolarHBondContact O-N 3.27Å; Q816-V820 PolarHBondContact O-N 2.71Å; Q816-V820 VanDerWaalsContact O-N 3.15Å |
| 817 | A | 83.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.6 | -40.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L808 V811 S813 G814 L819 V820 F821 | L808-A817 HydrophobicContact CD1-CB 4.38Å; V811-A817 HydrophobicContact CG2-CB 4.21Å; S813-A817 PolarHBondContact O-N 3.27Å; G814-A817 PolarHBondContact O-N 3.06Å; A817-L819 VanDerWaalsContact C-N 3.31Å; A817-L819 PolarHBondContact O-N 2.93Å; A817-V820 WeakPolarHBondContact O-CB 3.31Å; A817-V820 PolarHBondContact O-N 3.48Å; A817-V820 VanDerWaalsContact O-N 3.13Å; A817-F821 HydrophobicContact CB-CE2 4.26Å; A817-F821 WeakPolarHBondContact O-CD2 3.29Å; A817-F821 PolarHBondContact O-N 3.3Å; A817-F821 VanDerWaalsContact O-N 3.12Å |
| 818 | D | 85.2 | Confident | 85.2 | Confident | 16 Ų | 16 | 24.6 Ų | 24.6 | 9% | 0.086 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57 | -44.3 | 174.3 | -168.7 | 57.3 | 0 | 0 | 0 | 112.1 | G814 E815 Q816 V820 F821 R822 N897 | G814-D818 PolarHBondContact O-N 3.12Å; E815-D818 WeakPolarHBondContact O-CB 3.34Å; E815-D818 PolarHBondContact O-N 3.3Å; Q816-D818 VanDerWaalsContact C-N 3.3Å; Q816-D818 PolarHBondContact O-N 3.08Å; D818-V820 VanDerWaalsContact C-N 3.33Å; D818-V820 PolarHBondContact O-N 3.38Å; D818-F821 PolarHBondContact O-N 3.43Å; D818-R822 WeakPolarHBondContact O-CB 3.39Å; D818-R822 VanDerWaalsContact O-CG 3.3Å; D818-R822 WeakPolarHBondContact O-CG 3.32Å; D818-R822 PolarHBondContact O-N 2.91Å; D818-R822 WeakPolarHBondContact OD2-CD 3.48Å; D818-N897 PolarHBondContact OD1-ND2 2.94Å |
| 819 | L | 89.6 | Confident | 85.5 | Confident | 13 Ų | 13 | 25.2 Ų | 25.2 | 7% | 0.068 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.6 | -38.6 | 176 | -67.6 | 169.4 | 0 | 0 | 0 | 112.5 | I758 R759 A762 E815 Q816 A817 F821 R822 I823 | I758-L819 HydrophobicContact CG2-CB 3.43Å; I758-L819 VanDerWaalsContact CG2-CB 3.43Å; I758-L819 HydrophobicContact CG2-CD1 3.9Å; I758-L819 HydrophobicContact CG2-CG 4.26Å; R759-L819 HydrophobicContact CG-CD1 3.7Å; R759-L819 HydrophobicContact CG-CD2 4.33Å; A762-L819 HydrophobicContact CB-CD2 4.18Å; E815-L819 PolarHBondContact O-N 3.38Å; Q816-L819 WeakPolarHBondContact O-CB 3.37Å; Q816-L819 PolarHBondContact O-N 3.27Å; A817-L819 VanDerWaalsContact C-N 3.31Å; A817-L819 PolarHBondContact O-N 2.93Å; L819-F821 PolarHBondContact O-N 3.28Å; L819-R822 PolarHBondContact O-N 2.95Å; L819-I823 WeakPolarHBondContact O-CB 3.42Å; L819-I823 WeakPolarHBondContact O-CD1 3.43Å; L819-I823 VanDerWaalsContact O-CG1 3.25Å; L819-I823 WeakPolarHBondContact O-CG1 3.23Å; L819-I823 PolarHBondContact O-N 3.02Å |
| 820 | V | 90.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 175.8 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | L783 L807 L808 V811 Q816 A817 D818 I823 A824 | L783-V820 HydrophobicContact CD1-CG1 3.85Å; L807-V820 HydrophobicContact CD2-CG1 4.48Å; L807-V820 HydrophobicContact CD2-CG2 3.89Å; L807-V820 HydrophobicContact CG-CG2 3.97Å; L808-V820 HydrophobicContact CD1-CG1 4.43Å; V811-V820 HydrophobicContact CG1-CG2 3.87Å; Q816-V820 PolarHBondContact O-N 2.71Å; Q816-V820 VanDerWaalsContact O-N 3.15Å; A817-V820 WeakPolarHBondContact O-CB 3.31Å; A817-V820 PolarHBondContact O-N 3.48Å; A817-V820 VanDerWaalsContact O-N 3.13Å; D818-V820 VanDerWaalsContact C-N 3.33Å; D818-V820 PolarHBondContact O-N 3.38Å; V820-I823 PolarHBondContact O-N 2.84Å; V820-A824 PolarHBondContact O-N 3.25Å |
| 821 | F | 90.7 | Very high | 86.8 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68 | -38.3 | 177.9 | -61.3 | -50.7 | 0 | 0 | 0 | 112.3 | L808 A817 D818 L819 A824 Y825 I854 L874 Y894 N897 Q898 L901 | L808-F821 HydrophobicContact CD1-CE1 4.47Å; L808-F821 HydrophobicContact CD1-CZ 4.07Å; A817-F821 HydrophobicContact CB-CE2 4.26Å; A817-F821 WeakPolarHBondContact O-CD2 3.29Å; A817-F821 PolarHBondContact O-N 3.3Å; A817-F821 VanDerWaalsContact O-N 3.12Å; D818-F821 PolarHBondContact O-N 3.43Å; L819-F821 PolarHBondContact O-N 3.28Å; F821-A824 PolarHBondContact O-N 3.25Å; F821-Y825 VanDerWaalsContact O-CB 3.26Å; F821-Y825 WeakPolarHBondContact O-CB 3.26Å; F821-Y825 PolarHBondContact O-N 3.29Å; F821-I854 HydrophobicContact CE1-CD1 4.25Å; F821-L874 HydrophobicContact CE2-CD2 4.09Å; F821-L874 HydrophobicContact CZ-CD2 4Å; F821-Y894 WeakPolarHBondContact CD2-O 3.47Å; F821-N897 HydrophobicContact CB-CB 4.37Å; F821-Q898 HydrophobicContact CD1-CB 4.15Å; F821-Q898 HydrophobicContact CD1-CG 4.37Å; F821-Q898 HydrophobicContact CD2-CB 4.21Å; F821-Q898 HydrophobicContact CE1-CB 3.79Å; F821-Q898 HydrophobicContact CE1-CG 3.7Å; F821-Q898 HydrophobicContact CE2-CB 3.86Å; F821-Q898 HydrophobicContact CE2-CG 4.48Å; F821-Q898 HydrophobicContact CG-CB 4.36Å; F821-Q898 HydrophobicContact CZ-CB 3.64Å; F821-Q898 HydrophobicContact CZ-CG 3.77Å; F821-L901 HydrophobicContact CD1-CD2 4.24Å |
| 822 | R | 90.6 | Very high | 87.1 | Confident | 78 Ų | 78 | 26.1 Ų | 26.1 | 29% | 0.294 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 173.3 | -75.2 | 169.5 | 60.3 | -172.3 | -0.7 | 112.4 | E766 D818 L819 Y825 G826 | E766-R822 VanDerWaalsContact CD-NH2 3.25Å; E766-R822 WeakPolarHBondContact OE1-CB 3.34Å; E766-R822 IonicContact OE1-CZ 3.25Å; E766-R822 VanDerWaalsContact OE1-CZ 3.25Å; E766-R822 IonicContact OE1-NE 3.58Å; E766-R822 PolarHBondContact OE1-NE 3.48Å; E766-R822 IonicContact OE1-NH2 3.16Å; E766-R822 PolarHBondContact OE1-NH2 3.4Å; E766-R822 IonicContact OE2-CZ 2.61Å; E766-R822 IonicContact OE2-NE 3.8Å; E766-R822 IonicContact OE2-NH2 2.69Å; E766-R822 PolarHBondContact OE2-NH2 2.95Å; D818-R822 WeakPolarHBondContact O-CB 3.39Å; D818-R822 VanDerWaalsContact O-CG 3.3Å; D818-R822 WeakPolarHBondContact O-CG 3.32Å; D818-R822 PolarHBondContact O-N 2.91Å; D818-R822 WeakPolarHBondContact OD2-CD 3.48Å; L819-R822 PolarHBondContact O-N 2.95Å; R822-Y825 PolarHBondContact O-N 3Å; R822-G826 PolarHBondContact O-N 3.21Å |
| 823 | I | 93.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -49.6 | 174.1 | -75.7 | 162.4 | 0 | 0 | 0 | 111.2 | I758 W761 A762 L819 V820 Y825 G826 T827 | I758-I823 HydrophobicContact CG2-CD1 3.6Å; W761-I823 HydrophobicContact CB-CD1 3.84Å; W761-I823 HydrophobicContact CB-CG1 4.18Å; W761-I823 HydrophobicContact CD2-CD1 3.84Å; W761-I823 HydrophobicContact CD2-CG1 4.18Å; W761-I823 HydrophobicContact CD2-CG2 3.55Å; W761-I823 HydrophobicContact CE3-CD1 3.92Å; W761-I823 HydrophobicContact CE3-CG2 4.12Å; W761-I823 HydrophobicContact CG-CD1 3.84Å; W761-I823 HydrophobicContact CG-CG1 3.95Å; W761-I823 HydrophobicContact CG-CG2 3.99Å; W761-I823 HydrophobicContact CH2-CG2 4.18Å; W761-I823 HydrophobicContact CZ2-CG2 3.56Å; W761-I823 HydrophobicContact CZ3-CG2 4.41Å; A762-I823 HydrophobicContact CB-CG1 4.02Å; L819-I823 WeakPolarHBondContact O-CB 3.42Å; L819-I823 WeakPolarHBondContact O-CD1 3.43Å; L819-I823 VanDerWaalsContact O-CG1 3.25Å; L819-I823 WeakPolarHBondContact O-CG1 3.23Å; L819-I823 PolarHBondContact O-N 3.02Å; V820-I823 PolarHBondContact O-N 2.84Å; I823-Y825 VanDerWaalsContact C-N 3.34Å; I823-Y825 PolarHBondContact O-N 3.02Å; I823-G826 PolarHBondContact O-N 2.84Å; I823-T827 VanDerWaalsContact O-CB 3.32Å; I823-T827 WeakPolarHBondContact O-CB 3.41Å; I823-T827 PolarHBondContact O-N 3.02Å; I823-T827 PolarHBondContact O-OG1 3.42Å |
| 824 | A | 92.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.2 | -42.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L783 V820 F821 T827 L828 F850 L901 W905 | L783-A824 HydrophobicContact CD2-CB 4.43Å; V820-A824 PolarHBondContact O-N 3.25Å; F821-A824 PolarHBondContact O-N 3.25Å; A824-T827 PolarHBondContact O-N 2.95Å; A824-L828 WeakPolarHBondContact O-CB 3.17Å; A824-L828 PolarHBondContact O-N 3.37Å; A824-F850 HydrophobicContact CB-CE1 4.31Å; A824-F850 HydrophobicContact CB-CE2 3.82Å; A824-F850 HydrophobicContact CB-CZ 3.52Å; A824-L901 HydrophobicContact CB-CD2 3.61Å; A824-W905 HydrophobicContact CB-CZ3 4.4Å |
| 825 | Y | 91.7 | Very high | 89 | Confident | 15 Ų | 15 | 26.7 Ų | 26.7 | 6% | 0.059 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.8 | -51.9 | 174.6 | 177.4 | -101.7 | 0 | 0 | 0 | 112.4 | F821 R822 I823 T827 L828 R829 L901 I904 N1107 F1110 Y1111 | F821-Y825 VanDerWaalsContact O-CB 3.26Å; F821-Y825 WeakPolarHBondContact O-CB 3.26Å; F821-Y825 PolarHBondContact O-N 3.29Å; R822-Y825 PolarHBondContact O-N 3Å; I823-Y825 VanDerWaalsContact C-N 3.34Å; I823-Y825 PolarHBondContact O-N 3.02Å; Y825-T827 VanDerWaalsContact C-N 3.31Å; Y825-T827 PolarHBondContact O-N 3.25Å; Y825-L828 PolarHBondContact O-N 3.43Å; Y825-R829 WeakPolarHBondContact O-CB 3.47Å; Y825-R829 PolarHBondContact O-N 3.26Å; Y825-L901 HydrophobicContact CD2-CD1 4.3Å; Y825-I904 HydrophobicContact CD2-CD1 4.3Å; Y825-I904 HydrophobicContact CE2-CD1 3.83Å; Y825-N1107 PolarHBondContact OH-O 2.85Å; Y825-F1110 HydrophobicContact CD2-CD1 4.38Å; Y825-F1110 HydrophobicContact CD2-CE1 4.42Å; Y825-F1110 HydrophobicContact CE1-CD1 4.48Å; Y825-F1110 AromaticContact CE2-CD1 3.53Å; Y825-F1110 HydrophobicContact CE2-CD1 3.53Å; Y825-F1110 AromaticContact CE2-CE1 3.96Å; Y825-F1110 HydrophobicContact CE2-CE1 3.96Å; Y825-F1110 AromaticContact CZ-CD1 3.6Å; Y825-F1110 WeakPolarHBondContact OH-CD1 3.12Å; Y825-Y1111 HydrophobicContact CD1-CE1 4.48Å; Y825-Y1111 HydrophobicContact CD1-CE2 4.16Å; Y825-Y1111 AromaticContact CD1-CZ 3.84Å; Y825-Y1111 HydrophobicContact CD2-CD1 4.34Å; Y825-Y1111 AromaticContact CD2-CE1 3.84Å; Y825-Y1111 HydrophobicContact CD2-CE1 3.84Å; Y825-Y1111 HydrophobicContact CE1-CD2 4Å; Y825-Y1111 HydrophobicContact CE1-CE1 4.24Å; Y825-Y1111 AromaticContact CE1-CE2 3.41Å; Y825-Y1111 HydrophobicContact CE1-CE2 3.41Å; Y825-Y1111 VanDerWaalsContact CE1-CE2 3.41Å; Y825-Y1111 AromaticContact CE1-CZ 3.53Å; Y825-Y1111 AromaticContact CE2-CD1 3.66Å; Y825-Y1111 HydrophobicContact CE2-CD1 3.66Å; Y825-Y1111 HydrophobicContact CE2-CD2 4.14Å; Y825-Y1111 AromaticContact CE2-CE1 3.56Å; Y825-Y1111 HydrophobicContact CE2-CE1 3.56Å; Y825-Y1111 HydrophobicContact CE2-CE2 4.05Å; Y825-Y1111 AromaticContact CE2-CG 3.94Å; Y825-Y1111 HydrophobicContact CE2-CG 3.94Å; Y825-Y1111 AromaticContact CE2-CZ 3.74Å; Y825-Y1111 HydrophobicContact CG-CE1 4.29Å; Y825-Y1111 AromaticContact CZ-CD1 3.88Å; Y825-Y1111 AromaticContact CZ-CD2 3.47Å; Y825-Y1111 VanDerWaalsContact CZ-CD2 3.47Å; Y825-Y1111 AromaticContact CZ-CE1 3.76Å; Y825-Y1111 AromaticContact CZ-CE2 3.33Å; Y825-Y1111 AromaticContact CZ-CG 3.72Å; Y825-Y1111 AromaticContact CZ-CZ 3.47Å; Y825-Y1111 VanDerWaalsContact CZ-CZ 3.47Å; Y825-Y1111 WeakPolarHBondContact OH-CD2 3.46Å; Y825-Y1111 WeakPolarHBondContact OH-CE2 3.3Å; Y825-Y1111 VanDerWaalsContact OH-CG 3.31Å; Y825-Y1111 PolarHBondContact OH-N 3.26Å; Y825-Y1111 VanDerWaalsContact OH-N 3.1Å |
| 826 | G | 91 | Very high | 89.4 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R822 I823 R829 L830 | R822-G826 PolarHBondContact O-N 3.21Å; I823-G826 PolarHBondContact O-N 2.84Å; G826-R829 PolarHBondContact O-N 3.38Å; G826-L830 WeakPolarHBondContact O-CB 3Å; G826-L830 VanDerWaalsContact O-CG 3.28Å; G826-L830 WeakPolarHBondContact O-CG 3.2Å; G826-L830 PolarHBondContact O-N 3.02Å |
| 827 | T | 92.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 176.3 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | W772 L776 M780 I823 A824 Y825 L830 A831 F842 | W772-T827 HydrophobicContact CZ3-CG2 4.09Å; L776-T827 HydrophobicContact CD2-CG2 3.86Å; L776-T827 HydrophobicContact CG-CG2 4.3Å; M780-T827 HydrophobicContact SD-CG2 4.13Å; I823-T827 VanDerWaalsContact O-CB 3.32Å; I823-T827 WeakPolarHBondContact O-CB 3.41Å; I823-T827 PolarHBondContact O-N 3.02Å; I823-T827 PolarHBondContact O-OG1 3.42Å; A824-T827 PolarHBondContact O-N 2.95Å; Y825-T827 VanDerWaalsContact C-N 3.31Å; Y825-T827 PolarHBondContact O-N 3.25Å; T827-L830 PolarHBondContact O-N 2.86Å; T827-A831 PolarHBondContact O-N 3.5Å; T827-F842 HydrophobicContact CG2-CE2 3.57Å; T827-F842 HydrophobicContact CG2-CZ 3.68Å |
| 828 | L | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 176.8 | 177.2 | 63.8 | 0 | 0 | 0 | 111.6 | A824 Y825 L830 A831 H832 L839 F842 I843 L901 I904 W905 I908 F1110 | A824-L828 WeakPolarHBondContact O-CB 3.17Å; A824-L828 PolarHBondContact O-N 3.37Å; Y825-L828 PolarHBondContact O-N 3.43Å; L828-L830 PolarHBondContact O-N 3.01Å; L828-A831 PolarHBondContact O-N 3.41Å; L828-H832 WeakPolarHBondContact O-CB 3.33Å; L828-H832 PolarHBondContact O-N 2.86Å; L828-L839 HydrophobicContact CD1-CD1 3.96Å; L828-F842 HydrophobicContact CB-CE1 4.38Å; L828-F842 HydrophobicContact CD1-CD1 4.2Å; L828-F842 HydrophobicContact CD1-CE1 4Å; L828-I843 HydrophobicContact CD1-CD1 3.61Å; L828-I843 HydrophobicContact CD1-CG1 4.47Å; L828-L901 HydrophobicContact CD2-CD1 4.26Å; L828-I904 HydrophobicContact CD2-CG2 4.19Å; L828-W905 HydrophobicContact CD1-CD2 4.5Å; L828-W905 HydrophobicContact CD2-CB 3.97Å; L828-W905 HydrophobicContact CD2-CD2 4.1Å; L828-W905 HydrophobicContact CD2-CE3 3.88Å; L828-W905 HydrophobicContact CD2-CG 4.19Å; L828-I908 HydrophobicContact CD1-CD1 4.2Å; L828-I908 HydrophobicContact CD2-CD1 4.16Å; L828-I908 HydrophobicContact CG-CD1 4.29Å; L828-F1110 HydrophobicContact CD2-CE1 4.39Å; L828-F1110 HydrophobicContact CD2-CZ 4.35Å; L828-F1110 HydrophobicContact CG-CE1 4.19Å; L828-F1110 HydrophobicContact CG-CZ 3.97Å |
| 829 | R | 90.2 | Very high | 90.1 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.2 | -45.7 | 175 | -176.4 | -175.8 | 63.7 | 122.7 | 5.4 | 111.5 | V765 G767 S770 Y825 G826 H832 K833 N1107 F1110 | V765-R829 PolarHBondContact O-NH2 3.37Å; G767-R829 PolarHBondContact O-NH1 3.04Å; G767-R829 PolarHBondContact O-NH2 2.69Å; S770-R829 PolarHBondContact OG-NH2 2.97Å; Y825-R829 WeakPolarHBondContact O-CB 3.47Å; Y825-R829 PolarHBondContact O-N 3.26Å; G826-R829 PolarHBondContact O-N 3.38Å; R829-H832 WeakPolarHBondContact O-CB 3.49Å; R829-H832 PolarHBondContact O-N 3.45Å; R829-K833 PolarHBondContact O-N 3.14Å; R829-N1107 PolarHBondContact NH1-OD1 3.2Å; R829-F1110 VanDerWaalsContact CA-CE1 3.44Å; R829-F1110 HydrophobicContact CB-CD1 3.6Å; R829-F1110 HydrophobicContact CB-CE1 3.59Å; R829-F1110 HydrophobicContact CB-CG 4.26Å; R829-F1110 HydrophobicContact CB-CZ 4.24Å; R829-F1110 HydrophobicContact CG-CB 4.39Å; R829-F1110 HydrophobicContact CG-CD1 3.78Å; R829-F1110 HydrophobicContact CG-CE1 4.23Å; R829-F1110 HydrophobicContact CG-CG 3.97Å |
| 830 | L | 90.7 | Very high | 90 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65 | -41.6 | 177.7 | -70.7 | -178 | 0 | 0 | 0 | 112.1 | V765 S770 W772 L776 G826 T827 L828 H832 K833 A834 | V765-L830 HydrophobicContact CB-CD1 4.03Å; V765-L830 HydrophobicContact CG1-CD1 4.11Å; S770-L830 WeakPolarHBondContact O-CD2 3.34Å; S770-L830 WeakPolarHBondContact OG-CD2 3.35Å; W772-L830 HydrophobicContact CB-CB 4.38Å; W772-L830 HydrophobicContact CE3-CB 3.87Å; L776-L830 HydrophobicContact CD2-CD1 4.17Å; G826-L830 WeakPolarHBondContact O-CB 3Å; G826-L830 VanDerWaalsContact O-CG 3.28Å; G826-L830 WeakPolarHBondContact O-CG 3.2Å; G826-L830 PolarHBondContact O-N 3.02Å; T827-L830 PolarHBondContact O-N 2.86Å; L828-L830 PolarHBondContact O-N 3.01Å; L830-H832 VanDerWaalsContact C-N 3.29Å; L830-H832 PolarHBondContact O-N 2.95Å; L830-K833 PolarHBondContact O-N 2.87Å; L830-A834 WeakPolarHBondContact O-CB 3.39Å; L830-A834 PolarHBondContact O-N 3.33Å |
| 831 | A | 90.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.2 | -39.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | W772 T827 L828 A834 I838 L839 F842 | W772-A831 HydrophobicContact CE3-CB 4.09Å; W772-A831 HydrophobicContact CH2-CB 4.18Å; W772-A831 HydrophobicContact CZ3-CB 3.73Å; T827-A831 PolarHBondContact O-N 3.5Å; L828-A831 PolarHBondContact O-N 3.41Å; A831-A834 PolarHBondContact O-N 2.87Å; A831-I838 HydrophobicContact CB-CG2 4.41Å; A831-L839 HydrophobicContact CB-CD1 4.28Å; A831-F842 HydrophobicContact CB-CB 4.09Å; A831-F842 HydrophobicContact CB-CD1 4.12Å; A831-F842 HydrophobicContact CB-CD2 4.46Å; A831-F842 HydrophobicContact CB-CG 3.96Å |
| 832 | H | 88.5 | Confident | 90 | Very high | 65 Ų | 65 | 39.2 Ų | 39.2 | 30% | 0.301 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.5 | -48 | 174.6 | 177.9 | -89.8 | 0 | 0 | 0 | 111.8 | L828 R829 L830 A834 G835 L839 F1110 F1113 | L828-H832 WeakPolarHBondContact O-CB 3.33Å; L828-H832 PolarHBondContact O-N 2.86Å; R829-H832 WeakPolarHBondContact O-CB 3.49Å; R829-H832 PolarHBondContact O-N 3.45Å; L830-H832 VanDerWaalsContact C-N 3.29Å; L830-H832 PolarHBondContact O-N 2.95Å; H832-A834 VanDerWaalsContact C-N 3.27Å; H832-A834 PolarHBondContact O-N 2.76Å; H832-G835 PolarHBondContact O-N 3.44Å; H832-L839 HydrophobicContact CB-CD1 4.09Å; H832-L839 HydrophobicContact CB-CD2 4.23Å; H832-F1110 HydrophobicContact CB-CE2 3.67Å; H832-F1110 HydrophobicContact CB-CZ 4.05Å; H832-F1110 AromaticContact CG-CE2 3.57Å; H832-F1110 AromaticContact ND1-CE2 3.84Å; H832-F1113 AromaticContact CD2-CE2 3.97Å; H832-F1113 AromaticContact NE2-CE2 3.52Å |
| 833 | K | 86 | Confident | 90 | Very high | 115 Ų | 115 | 35.5 Ų | 35.5 | 50% | 0.5 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.1 | -31.7 | 177.8 | -171.5 | 171.4 | -177.6 | 164.6 | 0 | 112.9 | L768 R829 L830 G835 E1106 | L768-K833 PolarHBondContact O-NZ 2.93Å; R829-K833 PolarHBondContact O-N 3.14Å; L830-K833 PolarHBondContact O-N 2.87Å; K833-G835 PolarHBondContact O-N 3.13Å; K833-E1106 IonicContact NZ-OE2 3.82Å |
| 834 | A | 88 | Confident | 89.7 | Confident | 40 Ų | 40 | 39.5 Ų | 39.5 | 33% | 0.331 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.4 | -17.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | W772 L830 A831 H832 I838 | W772-A834 HydrophobicContact CB-CB 3.56Å; W772-A834 HydrophobicContact CD2-CB 4.35Å; W772-A834 HydrophobicContact CG-CB 3.62Å; L830-A834 WeakPolarHBondContact O-CB 3.39Å; L830-A834 PolarHBondContact O-N 3.33Å; A831-A834 PolarHBondContact O-N 2.87Å; H832-A834 VanDerWaalsContact C-N 3.27Å; H832-A834 PolarHBondContact O-N 2.76Å; A834-I838 HydrophobicContact CB-CB 4.15Å; A834-I838 HydrophobicContact CB-CD1 3.58Å; A834-I838 HydrophobicContact CB-CG1 4.45Å; A834-I838 HydrophobicContact CB-CG2 3.98Å |
| 835 | G | 87.7 | Confident | 89.5 | Confident | 28 Ų | 28 | 44.5 Ų | 44.5 | 29% | 0.289 | 23% | 0.231 | S | C | . | . | trans | 121.2 | 161.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | H832 K833 D837 I838 L839 | H832-G835 PolarHBondContact O-N 3.44Å; K833-G835 PolarHBondContact O-N 3.13Å; G835-D837 VanDerWaalsContact C-N 3.32Å; G835-D837 PolarHBondContact O-N 3.04Å; G835-I838 PolarHBondContact O-N 3.42Å; G835-L839 PolarHBondContact O-N 3.43Å | ||
| 836 | N | 85.8 | Confident | 89.5 | Confident | 114 Ų | 114 | 44.9 Ų | 44.9 | 61% | 0.61 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -58.1 | -38.4 | -171.5 | -72.2 | -17.9 | 0 | 0 | 0 | 113.8 | I838 L839 Q840 | N836-I838 PolarHBondContact O-N 2.96Å; N836-L839 PolarHBondContact O-N 3.48Å; N836-Q840 WeakPolarHBondContact O-CB 3.25Å; N836-Q840 WeakPolarHBondContact O-CG 3.32Å; N836-Q840 PolarHBondContact O-N 2.98Å |
| 837 | D | 87.6 | Confident | 89.4 | Confident | 121 Ų | 121 | 45 Ų | 45 | 65% | 0.647 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -66 | -39.9 | -179.2 | -64.9 | -24.3 | 0 | 0 | 0 | 112.1 | G835 N841 | G835-D837 VanDerWaalsContact C-N 3.32Å; G835-D837 PolarHBondContact O-N 3.04Å; D837-N841 WeakPolarHBondContact O-CB 3.33Å; D837-N841 VanDerWaalsContact O-CG 3.3Å; D837-N841 PolarHBondContact O-N 3.21Å; D837-N841 VanDerWaalsContact O-N 3.09Å; D837-N841 PolarHBondContact O-ND2 3.29Å; D837-N841 VanDerWaalsContact O-ND2 3.08Å |
| 838 | I | 90 | Very high | 89.2 | Confident | 57 Ų | 57 | 47.2 Ų | 47.2 | 29% | 0.292 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.7 | -46.5 | 178.1 | -67.7 | 170.9 | 0 | 0 | 0 | 109.6 | W772 A831 A834 G835 N836 Q840 N841 F842 | W772-I838 HydrophobicContact CD2-CG2 4.11Å; W772-I838 HydrophobicContact CG-CG2 4.49Å; W772-I838 HydrophobicContact CH2-CG2 4.43Å; W772-I838 HydrophobicContact CZ2-CG2 3.7Å; A831-I838 HydrophobicContact CB-CG2 4.41Å; A834-I838 HydrophobicContact CB-CB 4.15Å; A834-I838 HydrophobicContact CB-CD1 3.58Å; A834-I838 HydrophobicContact CB-CG1 4.45Å; A834-I838 HydrophobicContact CB-CG2 3.98Å; G835-I838 PolarHBondContact O-N 3.42Å; N836-I838 PolarHBondContact O-N 2.96Å; I838-Q840 VanDerWaalsContact C-N 3.33Å; I838-Q840 PolarHBondContact O-N 3.44Å; I838-N841 PolarHBondContact O-N 2.98Å; I838-F842 VanDerWaalsContact O-CB 3.27Å; I838-F842 WeakPolarHBondContact O-CB 3.14Å; I838-F842 PolarHBondContact O-N 3.19Å |
| 839 | L | 90.7 | Very high | 89 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.8 | -46.7 | 175.9 | -179.1 | 63 | 0 | 0 | 0 | 111.7 | L828 A831 H832 G835 N836 F842 I843 I908 I912 | L828-L839 HydrophobicContact CD1-CD1 3.96Å; A831-L839 HydrophobicContact CB-CD1 4.28Å; H832-L839 HydrophobicContact CB-CD1 4.09Å; H832-L839 HydrophobicContact CB-CD2 4.23Å; G835-L839 PolarHBondContact O-N 3.43Å; N836-L839 PolarHBondContact O-N 3.48Å; L839-F842 PolarHBondContact O-N 3.19Å; L839-I843 HydrophobicContact CD1-CG1 3.97Å; L839-I843 HydrophobicContact CG-CG1 4.3Å; L839-I843 WeakPolarHBondContact O-CB 3.5Å; L839-I843 WeakPolarHBondContact O-CG1 3.28Å; L839-I843 PolarHBondContact O-N 3.09Å; L839-I908 HydrophobicContact CD1-CG2 4.09Å; L839-I908 HydrophobicContact CD2-CG2 3.89Å; L839-I908 HydrophobicContact CG-CG2 4.11Å; L839-I912 HydrophobicContact CG-CD1 4.37Å |
| 840 | Q | 87.9 | Confident | 89 | Confident | 45 Ų | 45 | 47.9 Ų | 47.9 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -52.3 | 178.8 | -76.5 | 175.6 | 17.3 | 0 | 0 | 111.4 | N836 I838 F842 I843 F844 I912 | N836-Q840 WeakPolarHBondContact O-CB 3.25Å; N836-Q840 WeakPolarHBondContact O-CG 3.32Å; N836-Q840 PolarHBondContact O-N 2.98Å; I838-Q840 VanDerWaalsContact C-N 3.33Å; I838-Q840 PolarHBondContact O-N 3.44Å; Q840-F842 VanDerWaalsContact C-N 3.28Å; Q840-F842 PolarHBondContact O-N 3.14Å; Q840-I843 PolarHBondContact O-N 3.39Å; Q840-F844 HydrophobicContact CB-CD2 4.34Å; Q840-F844 HydrophobicContact CB-CE2 4.22Å; Q840-F844 WeakPolarHBondContact O-CD2 3.45Å; Q840-F844 WeakPolarHBondContact O-CG 3.46Å; Q840-F844 PolarHBondContact O-N 2.99Å; Q840-I912 HydrophobicContact CG-CD1 4.06Å; Q840-I912 HydrophobicContact CG-CG1 4.13Å; Q840-I912 HydrophobicContact CG-CG2 3.91Å |
| 841 | N | 89.4 | Confident | 89 | Confident | 107 Ų | 107 | 48 Ų | 48 | 57% | 0.572 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.3 | -42.1 | 178.8 | -72.3 | -33 | 0 | 0 | 0 | 111.6 | D837 I838 Q845 | D837-N841 WeakPolarHBondContact O-CB 3.33Å; D837-N841 VanDerWaalsContact O-CG 3.3Å; D837-N841 PolarHBondContact O-N 3.21Å; D837-N841 VanDerWaalsContact O-N 3.09Å; D837-N841 PolarHBondContact O-ND2 3.29Å; D837-N841 VanDerWaalsContact O-ND2 3.08Å; I838-N841 PolarHBondContact O-N 2.98Å; N841-Q845 WeakPolarHBondContact O-CB 3.4Å; N841-Q845 PolarHBondContact O-N 2.67Å |
| 842 | F | 91.5 | Very high | 88.8 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.9 | -50.9 | 177.3 | 178.7 | -94.7 | 0 | 0 | 0 | 112 | W772 M780 T827 L828 A831 I838 L839 Q840 Q845 W846 W905 | W772-F842 AromaticContact CH2-CD2 3.9Å; W772-F842 HydrophobicContact CH2-CD2 3.9Å; W772-F842 HydrophobicContact CH2-CE2 4.41Å; W772-F842 HydrophobicContact CZ3-CD2 4.46Å; M780-F842 HydrophobicContact CE-CE2 3.84Å; M780-F842 HydrophobicContact CE-CZ 3.92Å; M780-F842 HydrophobicContact CG-CE2 4.39Å; M780-F842 HydrophobicContact SD-CE2 3.95Å; M780-F842 HydrophobicContact SD-CZ 4.35Å; T827-F842 HydrophobicContact CG2-CE2 3.57Å; T827-F842 HydrophobicContact CG2-CZ 3.68Å; L828-F842 HydrophobicContact CB-CE1 4.38Å; L828-F842 HydrophobicContact CD1-CD1 4.2Å; L828-F842 HydrophobicContact CD1-CE1 4Å; A831-F842 HydrophobicContact CB-CB 4.09Å; A831-F842 HydrophobicContact CB-CD1 4.12Å; A831-F842 HydrophobicContact CB-CD2 4.46Å; A831-F842 HydrophobicContact CB-CG 3.96Å; I838-F842 VanDerWaalsContact O-CB 3.27Å; I838-F842 WeakPolarHBondContact O-CB 3.14Å; I838-F842 PolarHBondContact O-N 3.19Å; L839-F842 PolarHBondContact O-N 3.19Å; Q840-F842 VanDerWaalsContact C-N 3.28Å; Q840-F842 PolarHBondContact O-N 3.14Å; F842-Q845 PolarHBondContact O-N 3.29Å; F842-W846 AromaticContact CD2-CD1 3.56Å; F842-W846 HydrophobicContact CD2-CG 4.47Å; F842-W846 AromaticContact CE2-CD1 3.79Å; F842-W846 HydrophobicContact CE2-CG 4.36Å; F842-W846 WeakPolarHBondContact O-CB 3.45Å; F842-W846 PolarHBondContact O-N 3.38Å; F842-W905 AromaticContact CE1-CH2 3.61Å; F842-W905 HydrophobicContact CE1-CH2 3.61Å; F842-W905 AromaticContact CE1-CZ2 3.77Å; F842-W905 HydrophobicContact CE1-CZ2 3.77Å; F842-W905 HydrophobicContact CE1-CZ3 4.33Å; F842-W905 AromaticContact CZ-CH2 3.85Å; F842-W905 HydrophobicContact CZ-CH2 3.85Å; F842-W905 HydrophobicContact CZ-CZ2 4.35Å |
| 843 | I | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.5 | -47.9 | -179.7 | -71 | -69.5 | 0 | 0 | 0 | 110.7 | L828 L839 Q840 Q845 S847 W905 I908 Y909 I912 | L828-I843 HydrophobicContact CD1-CD1 3.61Å; L828-I843 HydrophobicContact CD1-CG1 4.47Å; L839-I843 HydrophobicContact CD1-CG1 3.97Å; L839-I843 HydrophobicContact CG-CG1 4.3Å; L839-I843 WeakPolarHBondContact O-CB 3.5Å; L839-I843 WeakPolarHBondContact O-CG1 3.28Å; L839-I843 PolarHBondContact O-N 3.09Å; Q840-I843 PolarHBondContact O-N 3.39Å; I843-Q845 VanDerWaalsContact C-N 3.32Å; I843-Q845 PolarHBondContact O-N 3.11Å; I843-S847 WeakPolarHBondContact O-CB 3.41Å; I843-S847 PolarHBondContact O-N 3.39Å; I843-S847 VanDerWaalsContact O-N 3.11Å; I843-S847 PolarHBondContact O-OG 3.49Å; I843-W905 HydrophobicContact CD1-CD2 4.45Å; I843-W905 HydrophobicContact CD1-CG 4.29Å; I843-I908 HydrophobicContact CD1-CG2 3.97Å; I843-I908 HydrophobicContact CG1-CG2 3.95Å; I843-Y909 HydrophobicContact CG2-CD2 3.47Å; I843-Y909 VanDerWaalsContact CG2-CD2 3.47Å; I843-Y909 HydrophobicContact CG2-CE2 4.3Å; I843-Y909 HydrophobicContact CG2-CG 4.21Å; I843-I912 HydrophobicContact CB-CD1 4.13Å; I843-I912 HydrophobicContact CG1-CD1 4.03Å; I843-I912 HydrophobicContact CG2-CD1 4.16Å |
| 844 | F | 87.3 | Confident | 88.4 | Confident | 85 Ų | 85 | 39.7 Ų | 39.7 | 37% | 0.373 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.1 | -36.4 | -179.5 | -73.2 | -56.4 | 0 | 0 | 0 | 113 | Q840 I912 | Q840-F844 HydrophobicContact CB-CD2 4.34Å; Q840-F844 HydrophobicContact CB-CE2 4.22Å; Q840-F844 WeakPolarHBondContact O-CD2 3.45Å; Q840-F844 WeakPolarHBondContact O-CG 3.46Å; Q840-F844 PolarHBondContact O-N 2.99Å; F844-I912 HydrophobicContact CE1-CG2 4.47Å; F844-I912 HydrophobicContact CE2-CG2 3.75Å; F844-I912 HydrophobicContact CZ-CG2 3.53Å |
| 845 | Q | 88.8 | Confident | 88 | Confident | 106 Ų | 106 | 37.9 Ų | 37.9 | 50% | 0.495 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -78.1 | -39.9 | -177.5 | -172.8 | 175.9 | 4.2 | 0 | 0 | 112.8 | N841 F842 I843 | N841-Q845 WeakPolarHBondContact O-CB 3.4Å; N841-Q845 PolarHBondContact O-N 2.67Å; F842-Q845 PolarHBondContact O-N 3.29Å; I843-Q845 VanDerWaalsContact C-N 3.32Å; I843-Q845 PolarHBondContact O-N 3.11Å |
| 846 | W | 90.8 | Very high | 87.3 | Confident | 23 Ų | 23 | 36.7 Ų | 36.7 | 9% | 0.087 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -110.3 | -11.4 | -165.3 | -61 | 110.1 | 0 | 0 | 0 | 115.4 | I777 M780 P781 V784 F842 F850 | I777-W846 HydrophobicContact CG2-CZ2 3.85Å; M780-W846 HydrophobicContact CB-CD2 3.66Å; M780-W846 VanDerWaalsContact CB-CE2 3.49Å; M780-W846 HydrophobicContact CB-CE3 3.72Å; M780-W846 HydrophobicContact CB-CG 4.49Å; M780-W846 HydrophobicContact CB-CH2 3.49Å; M780-W846 VanDerWaalsContact CB-CH2 3.49Å; M780-W846 HydrophobicContact CB-CZ2 3.43Å; M780-W846 VanDerWaalsContact CB-CZ2 3.43Å; M780-W846 HydrophobicContact CB-CZ3 3.63Å; M780-W846 HydrophobicContact CE-CB 3.77Å; M780-W846 HydrophobicContact CE-CD2 3.86Å; M780-W846 HydrophobicContact CE-CE3 4.2Å; M780-W846 HydrophobicContact CE-CG 3.65Å; M780-W846 HydrophobicContact CG-CD2 4.04Å; M780-W846 HydrophobicContact CG-CG 4.4Å; M780-W846 HydrophobicContact CG-CZ2 4.12Å; P781-W846 HydrophobicContact CG-CH2 4.03Å; V784-W846 HydrophobicContact CG1-CE3 4.2Å; V784-W846 HydrophobicContact CG2-CE3 4.15Å; V784-W846 HydrophobicContact CG2-CZ3 3.83Å; F842-W846 AromaticContact CD2-CD1 3.56Å; F842-W846 HydrophobicContact CD2-CG 4.47Å; F842-W846 AromaticContact CE2-CD1 3.79Å; F842-W846 HydrophobicContact CE2-CG 4.36Å; F842-W846 WeakPolarHBondContact O-CB 3.45Å; F842-W846 PolarHBondContact O-N 3.38Å; W846-F850 WeakPolarHBondContact O-CB 3.49Å; W846-F850 PolarHBondContact O-N 2.93Å |
| 847 | S | 89.7 | Confident | 86.6 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.7 | -55.5 | -179.8 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | I843 W851 W905 | I843-S847 WeakPolarHBondContact O-CB 3.41Å; I843-S847 PolarHBondContact O-N 3.39Å; I843-S847 VanDerWaalsContact O-N 3.11Å; I843-S847 PolarHBondContact O-OG 3.49Å; S847-W851 WeakPolarHBondContact O-CB 3.09Å; S847-W851 PolarHBondContact O-N 2.82Å; S847-W905 PolarHBondContact OG-NE1 3.23Å |
| 848 | E | 88.4 | Confident | 85.7 | Confident | 47 Ų | 47 | 27 Ų | 27 | 22% | 0.22 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.2 | -51.2 | -178.3 | -176.2 | 75.1 | 147 | 0 | 0 | 111.7 | F850 W851 V852 P923 S924 S925 | E848-F850 VanDerWaalsContact C-N 3.3Å; E848-F850 PolarHBondContact O-N 2.84Å; E848-W851 PolarHBondContact O-N 3.04Å; E848-V852 HydrophobicContact CG-CG2 3.99Å; E848-V852 WeakPolarHBondContact O-CB 3.21Å; E848-V852 WeakPolarHBondContact O-CG2 3.42Å; E848-V852 PolarHBondContact O-N 3.47Å; E848-P923 HydrophobicContact CB-CB 4.11Å; E848-P923 HydrophobicContact CG-CB 4.49Å; E848-P923 WeakPolarHBondContact OE2-CA 3.25Å; E848-P923 WeakPolarHBondContact OE2-CB 3.45Å; E848-S924 WeakPolarHBondContact OE1-CA 3.37Å; E848-S924 VanDerWaalsContact OE1-CB 3.25Å; E848-S924 WeakPolarHBondContact OE1-CB 3.47Å; E848-S924 PolarHBondContact OE1-N 3.06Å; E848-S924 PolarHBondContact OE1-OG 3.46Å; E848-S924 PolarHBondContact OE2-N 2.88Å; E848-S925 VanDerWaalsContact OE2-CB 3.3Å; E848-S925 WeakPolarHBondContact OE2-CB 3.43Å; E848-S925 PolarHBondContact OE2-N 2.86Å; E848-S925 PolarHBondContact OE2-OG 3.25Å |
| 849 | P | 88.6 | Confident | 84.6 | Confident | 26 Ų | 26 | 25.9 Ų | 25.9 | 17% | 0.169 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.6 | -40.3 | 179.2 | -26.4 | 35.4 | 0 | 0 | 0 | 114.2 | V784 S787 V788 S853 | V784-P849 HydrophobicContact CB-CB 3.83Å; V784-P849 HydrophobicContact CG1-CB 4.04Å; V784-P849 HydrophobicContact CG2-CB 3.79Å; S787-P849 PolarHBondContact OG-O 3.31Å; V788-P849 HydrophobicContact CG2-CB 4.29Å; V788-P849 HydrophobicContact CG2-CG 4.22Å; P849-S853 PolarHBondContact O-N 3.28Å; P849-S853 PolarHBondContact O-OG 3.32Å; P849-S853 VanDerWaalsContact O-OG 3.06Å |
| 850 | F | 90.6 | Very high | 83.1 | Confident | 7 Ų | 7 | 28 Ų | 28 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.9 | -49.7 | -178.7 | 179.1 | -108.2 | 0 | 0 | 0 | 112.4 | L783 V784 A824 W846 E848 V852 S853 I854 L901 W905 | L783-F850 HydrophobicContact CD1-CE2 4.35Å; L783-F850 HydrophobicContact CD2-CD2 3.82Å; L783-F850 HydrophobicContact CD2-CE2 3.88Å; L783-F850 HydrophobicContact CG-CD2 3.99Å; L783-F850 HydrophobicContact CG-CE2 4.04Å; V784-F850 HydrophobicContact CG1-CB 3.96Å; V784-F850 HydrophobicContact CG1-CD2 4.42Å; A824-F850 HydrophobicContact CB-CE1 4.31Å; A824-F850 HydrophobicContact CB-CE2 3.82Å; A824-F850 HydrophobicContact CB-CZ 3.52Å; W846-F850 WeakPolarHBondContact O-CB 3.49Å; W846-F850 PolarHBondContact O-N 2.93Å; E848-F850 VanDerWaalsContact C-N 3.3Å; E848-F850 PolarHBondContact O-N 2.84Å; F850-V852 VanDerWaalsContact C-N 3.33Å; F850-V852 PolarHBondContact O-N 2.93Å; F850-S853 WeakPolarHBondContact O-CB 3.32Å; F850-S853 PolarHBondContact O-N 2.69Å; F850-I854 HydrophobicContact CD1-CD1 4.04Å; F850-I854 HydrophobicContact CE1-CD1 3.45Å; F850-I854 VanDerWaalsContact CE1-CD1 3.45Å; F850-I854 HydrophobicContact CE2-CD1 4.31Å; F850-I854 HydrophobicContact CZ-CD1 3.61Å; F850-I854 PolarHBondContact O-N 3.28Å; F850-L901 HydrophobicContact CE1-CD2 3.95Å; F850-L901 HydrophobicContact CZ-CD2 3.89Å; F850-W905 HydrophobicContact CB-CH2 4.47Å; F850-W905 HydrophobicContact CD1-CE3 4.3Å; F850-W905 HydrophobicContact CD1-CH2 4.05Å; F850-W905 AromaticContact CD1-CZ3 3.91Å; F850-W905 HydrophobicContact CD1-CZ3 3.91Å; F850-W905 HydrophobicContact CE1-CE3 4.27Å; F850-W905 HydrophobicContact CE1-CZ3 4Å; F850-W905 HydrophobicContact CG-CH2 4.27Å; F850-W905 HydrophobicContact CG-CZ3 4.46Å |
| 851 | W | 90.1 | Very high | 81.3 | Confident | 6 Ų | 6 | 29.3 Ų | 29.3 | 2% | 0.023 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.1 | -27.1 | -177.6 | -68.1 | 119.1 | 0 | 0 | 0 | 112.3 | S847 E848 S853 I854 L855 L901 F902 W905 S925 L929 | S847-W851 WeakPolarHBondContact O-CB 3.09Å; S847-W851 PolarHBondContact O-N 2.82Å; E848-W851 PolarHBondContact O-N 3.04Å; W851-S853 VanDerWaalsContact C-N 3.33Å; W851-I854 HydrophobicContact CD2-CD1 4.35Å; W851-I854 HydrophobicContact CE3-CB 4.24Å; W851-I854 HydrophobicContact CE3-CD1 3.38Å; W851-I854 HydrophobicContact CE3-CG1 4.36Å; W851-I854 HydrophobicContact CE3-CG2 4.3Å; W851-I854 HydrophobicContact CH2-CD1 4.16Å; W851-I854 HydrophobicContact CZ3-CD1 3.3Å; W851-I854 HydrophobicContact CZ3-CG2 4.5Å; W851-I854 PolarHBondContact O-N 3.44Å; W851-L855 WeakPolarHBondContact O-CB 3.3Å; W851-L855 PolarHBondContact O-N 2.77Å; W851-L901 HydrophobicContact CH2-CD2 4.38Å; W851-L901 HydrophobicContact CH2-CG 4.09Å; W851-L901 HydrophobicContact CZ2-CG 4.4Å; W851-F902 AromaticContact CD2-CD2 3.73Å; W851-F902 HydrophobicContact CD2-CD2 3.73Å; W851-F902 AromaticContact CD2-CE2 3.97Å; W851-F902 HydrophobicContact CD2-CE2 3.97Å; W851-F902 AromaticContact CE2-CD2 3.57Å; W851-F902 AromaticContact CE3-CD2 3.74Å; W851-F902 HydrophobicContact CE3-CD2 3.74Å; W851-F902 HydrophobicContact CE3-CE2 4.18Å; W851-F902 HydrophobicContact CE3-CG 4.37Å; W851-F902 HydrophobicContact CG-CE2 4.4Å; W851-F902 HydrophobicContact CH2-CB 3.44Å; W851-F902 VanDerWaalsContact CH2-CB 3.44Å; W851-F902 AromaticContact CH2-CD2 3.56Å; W851-F902 HydrophobicContact CH2-CD2 3.56Å; W851-F902 AromaticContact CH2-CG 3.89Å; W851-F902 HydrophobicContact CH2-CG 3.89Å; W851-F902 HydrophobicContact CZ2-CB 4.11Å; W851-F902 AromaticContact CZ2-CD2 3.54Å; W851-F902 HydrophobicContact CZ2-CD2 3.54Å; W851-F902 HydrophobicContact CZ2-CE2 4.46Å; W851-F902 HydrophobicContact CZ2-CG 4.28Å; W851-F902 HydrophobicContact CZ3-CB 3.74Å; W851-F902 AromaticContact CZ3-CD2 3.63Å; W851-F902 HydrophobicContact CZ3-CD2 3.63Å; W851-F902 HydrophobicContact CZ3-CE2 4.49Å; W851-F902 AromaticContact CZ3-CG 3.9Å; W851-F902 HydrophobicContact CZ3-CG 3.9Å; W851-W905 HydrophobicContact CZ2-CB 3.78Å; W851-W905 AromaticContact CZ2-CD2 3.97Å; W851-W905 HydrophobicContact CZ2-CD2 3.97Å; W851-W905 HydrophobicContact CZ2-CE3 4.03Å; W851-W905 AromaticContact CZ2-CG 3.86Å; W851-W905 HydrophobicContact CZ2-CG 3.86Å; W851-W905 AromaticContact NE1-CD1 3.55Å; W851-W905 AromaticContact NE1-CD2 3.77Å; W851-W905 AromaticContact NE1-CE2 3.86Å; W851-W905 AromaticContact NE1-CG 3.62Å; W851-W905 AromaticContact NE1-NE1 3.68Å; W851-S925 WeakPolarHBondContact CB-OG 3.36Å; W851-L929 HydrophobicContact CB-CD1 3.93Å; W851-L929 HydrophobicContact CD2-CD1 4.06Å; W851-L929 HydrophobicContact CE3-CD1 3.47Å; W851-L929 VanDerWaalsContact CE3-CD1 3.47Å; W851-L929 HydrophobicContact CG-CD1 4.26Å; W851-L929 HydrophobicContact CZ3-CD1 4.35Å |
| 852 | V | 85.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.9 | -44.4 | 169.9 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | S787 M791 E848 F850 I854 L855 I856 S925 | S787-V852 VanDerWaalsContact O-CG1 3.32Å; S787-V852 WeakPolarHBondContact O-CG1 3.42Å; M791-V852 HydrophobicContact CB-CG1 3.84Å; M791-V852 HydrophobicContact CG-CG1 4.37Å; M791-V852 HydrophobicContact SD-CB 4.41Å; M791-V852 HydrophobicContact SD-CG1 3.68Å; M791-V852 HydrophobicContact SD-CG2 3.81Å; E848-V852 HydrophobicContact CG-CG2 3.99Å; E848-V852 WeakPolarHBondContact O-CB 3.21Å; E848-V852 WeakPolarHBondContact O-CG2 3.42Å; E848-V852 PolarHBondContact O-N 3.47Å; F850-V852 VanDerWaalsContact C-N 3.33Å; F850-V852 PolarHBondContact O-N 2.93Å; V852-I854 VanDerWaalsContact C-N 3.29Å; V852-I854 PolarHBondContact O-N 2.79Å; V852-L855 WeakPolarHBondContact O-CB 3.49Å; V852-L855 PolarHBondContact O-N 3.08Å; V852-L855 VanDerWaalsContact O-N 3.14Å; V852-I856 HydrophobicContact CG1-CD1 3.72Å; V852-I856 HydrophobicContact CG1-CG1 4.19Å; V852-I856 VanDerWaalsContact O-CG1 3.31Å; V852-I856 WeakPolarHBondContact O-CG1 3.43Å; V852-I856 PolarHBondContact O-N 3.23Å; V852-S925 VanDerWaalsContact N-CB 3.26Å; V852-S925 PolarHBondContact N-OG 3.29Å |
| 853 | S | 82 | Confident | 76.9 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.4 | -43.7 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | V784 S787 P806 P849 F850 W851 I856 V857 | V784-S853 PolarHBondContact O-OG 3.18Å; V784-S853 VanDerWaalsContact O-OG 3.04Å; S787-S853 WeakPolarHBondContact CB-OG 3.4Å; S787-S853 PolarHBondContact OG-OG 3.42Å; P806-S853 WeakPolarHBondContact CB-OG 3.42Å; P849-S853 PolarHBondContact O-N 3.28Å; P849-S853 PolarHBondContact O-OG 3.32Å; P849-S853 VanDerWaalsContact O-OG 3.06Å; F850-S853 WeakPolarHBondContact O-CB 3.32Å; F850-S853 PolarHBondContact O-N 2.69Å; W851-S853 VanDerWaalsContact C-N 3.33Å; S853-I856 PolarHBondContact O-N 3.28Å; S853-V857 WeakPolarHBondContact O-CG2 3.43Å; S853-V857 PolarHBondContact O-N 2.93Å |
| 854 | I | 84.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.1 | -41.1 | 177.1 | -71.9 | 172.3 | 0 | 0 | 0 | 111.2 | L808 F821 F850 W851 V852 V857 S858 L929 | L808-I854 HydrophobicContact CD2-CB 4.49Å; L808-I854 HydrophobicContact CD2-CG1 3.72Å; F821-I854 HydrophobicContact CE1-CD1 4.25Å; F850-I854 HydrophobicContact CD1-CD1 4.04Å; F850-I854 HydrophobicContact CE1-CD1 3.45Å; F850-I854 VanDerWaalsContact CE1-CD1 3.45Å; F850-I854 HydrophobicContact CE2-CD1 4.31Å; F850-I854 HydrophobicContact CZ-CD1 3.61Å; F850-I854 PolarHBondContact O-N 3.28Å; W851-I854 HydrophobicContact CD2-CD1 4.35Å; W851-I854 HydrophobicContact CE3-CB 4.24Å; W851-I854 HydrophobicContact CE3-CD1 3.38Å; W851-I854 HydrophobicContact CE3-CG1 4.36Å; W851-I854 HydrophobicContact CE3-CG2 4.3Å; W851-I854 HydrophobicContact CH2-CD1 4.16Å; W851-I854 HydrophobicContact CZ3-CD1 3.3Å; W851-I854 HydrophobicContact CZ3-CG2 4.5Å; W851-I854 PolarHBondContact O-N 3.44Å; V852-I854 VanDerWaalsContact C-N 3.29Å; V852-I854 PolarHBondContact O-N 2.79Å; I854-V857 PolarHBondContact O-N 2.9Å; I854-S858 VanDerWaalsContact O-CB 3.31Å; I854-S858 WeakPolarHBondContact O-CB 3.24Å; I854-S858 PolarHBondContact O-N 3.1Å; I854-S858 PolarHBondContact O-OG 3.16Å; I854-L929 HydrophobicContact CG2-CD1 4.2Å; I854-L929 HydrophobicContact CG2-CD2 3.98Å |
| 855 | L | 79.7 | Confident | 72 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 178 | -177.1 | 62.1 | 0 | 0 | 0 | 111.7 | M791 W851 V852 V857 S858 L859 L929 L932 L993 L997 | M791-L855 HydrophobicContact CE-CD2 3.92Å; W851-L855 WeakPolarHBondContact O-CB 3.3Å; W851-L855 PolarHBondContact O-N 2.77Å; V852-L855 WeakPolarHBondContact O-CB 3.49Å; V852-L855 PolarHBondContact O-N 3.08Å; V852-L855 VanDerWaalsContact O-N 3.14Å; L855-V857 VanDerWaalsContact C-N 3.34Å; L855-V857 PolarHBondContact O-N 3.47Å; L855-S858 PolarHBondContact O-N 2.89Å; L855-L859 HydrophobicContact CD1-CD1 3.92Å; L855-L859 HydrophobicContact CD1-CG 4.13Å; L855-L859 HydrophobicContact CG-CD1 3.84Å; L855-L859 HydrophobicContact CG-CG 4.44Å; L855-L859 WeakPolarHBondContact O-CB 3.35Å; L855-L859 WeakPolarHBondContact O-CG 3.48Å; L855-L859 PolarHBondContact O-N 2.74Å; L855-L929 HydrophobicContact CB-CD2 4.28Å; L855-L929 HydrophobicContact CB-CG 4.43Å; L855-L929 HydrophobicContact CD1-CD2 3.99Å; L855-L929 HydrophobicContact CD1-CG 4.28Å; L855-L932 HydrophobicContact CD1-CD1 3.75Å; L855-L993 HydrophobicContact CD1-CD2 3.72Å; L855-L993 HydrophobicContact CD2-CD2 3.77Å; L855-L993 HydrophobicContact CG-CD2 4.03Å; L855-L997 HydrophobicContact CD2-CD1 4.06Å |
| 856 | I | 74.1 | Confident | 69.5 | Low | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.7 | -47.7 | 176.9 | -70.9 | 170 | 0 | 0 | 0 | 110.8 | S787 L790 M791 V852 S853 L859 N860 W861 | S787-I856 WeakPolarHBondContact O-CD1 3.47Å; L790-I856 HydrophobicContact CB-CD1 4.07Å; M791-I856 HydrophobicContact CB-CD1 4.4Å; V852-I856 HydrophobicContact CG1-CD1 3.72Å; V852-I856 HydrophobicContact CG1-CG1 4.19Å; V852-I856 VanDerWaalsContact O-CG1 3.31Å; V852-I856 WeakPolarHBondContact O-CG1 3.43Å; V852-I856 PolarHBondContact O-N 3.23Å; S853-I856 PolarHBondContact O-N 3.28Å; I856-L859 PolarHBondContact O-N 3.07Å; I856-N860 PolarHBondContact O-N 3.37Å; I856-W861 HydrophobicContact CG1-CE3 3.99Å; I856-W861 HydrophobicContact CG1-CZ3 4.28Å; I856-W861 HydrophobicContact CG2-CB 4.23Å; I856-W861 PolarHBondContact O-N 3.47Å |
| 857 | V | 71.3 | Confident | 66.9 | Low | 17 Ų | 17 | 42.3 Ų | 42.3 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -43.8 | 178.4 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | L808 S853 I854 L855 L859 N860 L871 L874 | L808-V857 HydrophobicContact CD2-CB 4.42Å; L808-V857 HydrophobicContact CD2-CG2 4.22Å; L808-V857 HydrophobicContact CG-CG2 4.31Å; S853-V857 WeakPolarHBondContact O-CG2 3.43Å; S853-V857 PolarHBondContact O-N 2.93Å; I854-V857 PolarHBondContact O-N 2.9Å; L855-V857 VanDerWaalsContact C-N 3.34Å; L855-V857 PolarHBondContact O-N 3.47Å; V857-L859 PolarHBondContact O-N 3Å; V857-N860 PolarHBondContact O-N 2.93Å; V857-N860 VanDerWaalsContact O-N 3.1Å; V857-L871 HydrophobicContact CG1-CB 3.58Å; V857-L871 HydrophobicContact CG1-CD1 3.64Å; V857-L871 HydrophobicContact CG1-CG 4.26Å; V857-L874 HydrophobicContact CG1-CD1 3.64Å |
| 858 | S | 69.2 | Low | 64.6 | Low | 14 Ų | 14 | 46.5 Ų | 46.5 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.5 | -22.3 | 179.7 | -57.5 | 0 | 0 | 0 | 0 | 113.6 | I854 L855 | I854-S858 VanDerWaalsContact O-CB 3.31Å; I854-S858 WeakPolarHBondContact O-CB 3.24Å; I854-S858 PolarHBondContact O-N 3.1Å; I854-S858 PolarHBondContact O-OG 3.16Å; L855-S858 PolarHBondContact O-N 2.89Å |
| 859 | L | 65 | Low | 62.3 | Low | 34 Ų | 34 | 48.2 Ų | 48.2 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -2.2 | 178.2 | -65.1 | 170.9 | 0 | 0 | 0 | 113.6 | L855 I856 V857 W861 L932 L993 | L855-L859 HydrophobicContact CD1-CD1 3.92Å; L855-L859 HydrophobicContact CD1-CG 4.13Å; L855-L859 HydrophobicContact CG-CD1 3.84Å; L855-L859 HydrophobicContact CG-CG 4.44Å; L855-L859 WeakPolarHBondContact O-CB 3.35Å; L855-L859 WeakPolarHBondContact O-CG 3.48Å; L855-L859 PolarHBondContact O-N 2.74Å; I856-L859 PolarHBondContact O-N 3.07Å; V857-L859 PolarHBondContact O-N 3Å; L859-W861 VanDerWaalsContact C-N 3.28Å; L859-W861 HydrophobicContact CB-CG 4.32Å; L859-W861 HydrophobicContact CD1-CD2 4.49Å; L859-W861 HydrophobicContact CD1-CZ2 3.95Å; L859-W861 PolarHBondContact O-N 3.25Å; L859-L932 HydrophobicContact CD2-CD1 4.22Å; L859-L932 HydrophobicContact CD2-CD2 4.4Å; L859-L993 HydrophobicContact CD1-CB 4.14Å; L859-L993 HydrophobicContact CD1-CD2 3.44Å; L859-L993 VanDerWaalsContact CD1-CD2 3.44Å; L859-L993 HydrophobicContact CD1-CG 4.4Å; L859-L993 HydrophobicContact CD2-CD2 4.17Å; L859-L993 HydrophobicContact CG-CD2 4.34Å |
| 860 | N | 59.8 | Low | 60.1 | Low | 52 Ų | 52 | 50.4 Ų | 50.4 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 32.9 | -178.7 | -150.2 | 13.2 | 0 | 0 | 0 | 114.1 | I856 V857 N862 N863 E872 | I856-N860 PolarHBondContact O-N 3.37Å; V857-N860 PolarHBondContact O-N 2.93Å; V857-N860 VanDerWaalsContact O-N 3.1Å; N860-N862 PolarHBondContact O-N 2.91Å; N860-N863 PolarHBondContact ND2-ND2 2.9Å; N860-N863 VanDerWaalsContact OD1-CB 3.27Å; N860-N863 WeakPolarHBondContact OD1-CB 3.5Å; N860-N863 PolarHBondContact OD1-ND2 2.79Å; N860-E872 HydrophobicContact CB-CG 4.47Å; N860-E872 WeakPolarHBondContact ND2-CG 3.39Å; N860-E872 PolarHBondContact ND2-OE1 3.05Å |
| 861 | W | 51.5 | Low | 58.1 | Low | 73 Ų | 73 | 51.1 Ų | 51.1 | 28% | 0.277 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20.6 | -178.4 | -79.8 | 0.3 | 0 | 0 | 0 | 114.4 | M791 I856 L859 H994 | M791-W861 HydrophobicContact CB-CZ3 4.33Å; M791-W861 HydrophobicContact CE-CH2 4.47Å; M791-W861 HydrophobicContact CG-CH2 4.23Å; M791-W861 HydrophobicContact CG-CZ3 3.91Å; I856-W861 HydrophobicContact CG1-CE3 3.99Å; I856-W861 HydrophobicContact CG1-CZ3 4.28Å; I856-W861 HydrophobicContact CG2-CB 4.23Å; I856-W861 PolarHBondContact O-N 3.47Å; L859-W861 VanDerWaalsContact C-N 3.28Å; L859-W861 HydrophobicContact CB-CG 4.32Å; L859-W861 HydrophobicContact CD1-CD2 4.49Å; L859-W861 HydrophobicContact CD1-CZ2 3.95Å; L859-W861 PolarHBondContact O-N 3.25Å; W861-H994 HydrophobicContact CH2-CB 4.45Å |
| 862 | N | 43.6 | Very low | 55.9 | Low | 43 Ų | 43 | 54.5 Ų | 54.5 | 23% | 0.23 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 15.5 | -174.9 | -75.9 | -8.7 | 0 | 0 | 0 | 115 | N860 P864 | N860-N862 PolarHBondContact O-N 2.91Å; N862-P864 VanDerWaalsContact C-CD 3.4Å; N862-P864 WeakPolarHBondContact O-CD 3.24Å |
| 863 | N | 43.5 | Very low | 54.1 | Low | 59 Ų | 59 | 55.8 Ų | 55.8 | 32% | 0.316 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 76.8 | -168.7 | -144 | -15.4 | 0 | 0 | 0 | 115.6 | N860 | N860-N863 PolarHBondContact ND2-ND2 2.9Å; N860-N863 VanDerWaalsContact OD1-CB 3.27Å; N860-N863 WeakPolarHBondContact OD1-CB 3.5Å; N860-N863 PolarHBondContact OD1-ND2 2.79Å |
| 864 | P | 40.7 | Very low | 52.5 | Low | 85 Ų | 85 | 55.7 Ų | 55.7 | 55% | 0.552 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | -8.4 | 151.2 | 24 | -9.6 | 0 | 0 | 0 | 113.8 | L797 N862 | L797-P864 HydrophobicContact CD1-CG 3.3Å; N862-P864 VanDerWaalsContact C-CD 3.4Å; N862-P864 WeakPolarHBondContact O-CD 3.24Å |
| 865 | L | 35 | Very low | 50.8 | Low | 146 Ų | 146 | 55.7 Ų | 55.7 | 76% | 0.764 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -99.3 | 91.3 | 175 | -76.6 | 156.2 | 0 | 0 | 0 | 108.3 | E867 | L865-E867 PolarHBondContact O-N 3.18Š|
| 866 | G | 37.2 | Very low | 49.3 | Very low | 71 Ų | 71 | 56.7 Ų | 56.7 | 73% | 0.732 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 46.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 867 | E | 36.3 | Very low | 47.7 | Very low | 195 Ų | 195 | 58 Ų | 58 | 91% | 0.911 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142 | 11 | 173.3 | -71.3 | -171.6 | 163 | 0 | 0 | 114.9 | L865 | L865-E867 PolarHBondContact O-N 3.18Š|
| 868 | Q | 40.2 | Very low | 46.5 | Very low | 92 Ų | 92 | 58.6 Ų | 58.6 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -78.9 | 139.2 | 168.4 | -75.2 | -171.5 | -29.5 | 0 | 0 | 110.7 | N870 | Q868-N870 PolarHBondContact O-N 3.5Š|
| 869 | V | 40.4 | Very low | 45.1 | Very low | 83 Ų | 83 | 62 Ų | 62 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | trans | -49.4 | 128.8 | 173.8 | 172.6 | 0 | 0 | 0 | 0 | 108.8 | D812 L871 | D812-V869 WeakPolarHBondContact O-CG2 3.23Å; V869-L871 PolarHBondContact O-N 3.29Å | ||
| 870 | N | 42.5 | Very low | 43.8 | Very low | 72 Ų | 72 | 64.3 Ų | 64.3 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | trans | -62.2 | 77.1 | 177.7 | -115.5 | 4.4 | 0 | 0 | 0 | 109.6 | Q868 E872 D873 | Q868-N870 PolarHBondContact O-N 3.5Å; N870-E872 HydrophobicContact CB-CB 4.33Å; N870-E872 HydrophobicContact CB-CG 4.43Å; N870-E872 PolarHBondContact ND2-OE2 3.01Å; N870-E872 PolarHBondContact O-N 2.97Å; N870-E872 WeakPolarHBondContact OD1-CG 3.33Å; N870-E872 PolarHBondContact OD1-OE2 3.2Å; N870-D873 PolarHBondContact O-N 2.89Å | ||
| 871 | L | 47.2 | Very low | 42.6 | Very low | 22 Ų | 22 | 64 Ų | 64 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -65.7 | 6.4 | 164.2 | -67 | 174.6 | 0 | 0 | 0 | 111.1 | V811 V857 V869 D873 L874 | V811-L871 HydrophobicContact CG2-CD1 4.21Å; V857-L871 HydrophobicContact CG1-CB 3.58Å; V857-L871 HydrophobicContact CG1-CD1 3.64Å; V857-L871 HydrophobicContact CG1-CG 4.26Å; V869-L871 PolarHBondContact O-N 3.29Å; L871-D873 PolarHBondContact O-N 2.8Å; L871-L874 HydrophobicContact CB-CD1 3.92Å; L871-L874 HydrophobicContact CB-CG 4.23Å; L871-L874 HydrophobicContact CD1-CD1 4.29Å; L871-L874 HydrophobicContact CD2-CD1 4.04Å; L871-L874 HydrophobicContact CD2-CG 4.09Å; L871-L874 HydrophobicContact CG-CD1 4.31Å; L871-L874 WeakPolarHBondContact O-CB 3.41Å; L871-L874 PolarHBondContact O-N 3.46Å |
| 872 | E | 45.4 | Very low | 41.9 | Very low | 77 Ų | 77 | 67 Ų | 67 | 36% | 0.36 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -40.1 | -35.6 | 156.2 | -70.3 | -168 | 149.1 | 0 | 0 | 110.8 | N860 N870 L874 S876 | N860-E872 HydrophobicContact CB-CG 4.47Å; N860-E872 WeakPolarHBondContact ND2-CG 3.39Å; N860-E872 PolarHBondContact ND2-OE1 3.05Å; N870-E872 HydrophobicContact CB-CB 4.33Å; N870-E872 HydrophobicContact CB-CG 4.43Å; N870-E872 PolarHBondContact ND2-OE2 3.01Å; N870-E872 PolarHBondContact O-N 2.97Å; N870-E872 WeakPolarHBondContact OD1-CG 3.33Å; N870-E872 PolarHBondContact OD1-OE2 3.2Å; E872-L874 VanDerWaalsContact C-N 3.33Å; E872-L874 PolarHBondContact O-N 2.79Å; E872-S876 WeakPolarHBondContact O-CB 3.44Å; E872-S876 PolarHBondContact O-N 3.29Å; E872-S876 PolarHBondContact O-OG 3.36Å |
| 873 | D | 48.2 | Very low | 41.7 | Very low | 28 Ų | 28 | 72.2 Ų | 72.2 | 15% | 0.15 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -73.3 | -9.4 | 179.2 | -62.5 | -28.2 | 0 | 0 | 0 | 115.3 | N870 L871 Y875 S876 R895 | N870-D873 PolarHBondContact O-N 2.89Å; L871-D873 PolarHBondContact O-N 2.8Å; D873-Y875 PolarHBondContact O-N 2.69Å; D873-S876 PolarHBondContact OD1-OG 3.41Å; D873-R895 PolarHBondContact O-NE 3.23Å; D873-R895 PolarHBondContact O-NH2 3.24Å |
| 874 | L | 48.4 | Very low | 41.3 | Very low | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -63 | -32.6 | 174.6 | -78.1 | 171.2 | 0 | 0 | 0 | 111.8 | L808 F821 V857 L871 E872 Y894 R895 Q898 | L808-L874 HydrophobicContact CD2-CD1 4.34Å; F821-L874 HydrophobicContact CE2-CD2 4.09Å; F821-L874 HydrophobicContact CZ-CD2 4Å; V857-L874 HydrophobicContact CG1-CD1 3.64Å; L871-L874 HydrophobicContact CB-CD1 3.92Å; L871-L874 HydrophobicContact CB-CG 4.23Å; L871-L874 HydrophobicContact CD1-CD1 4.29Å; L871-L874 HydrophobicContact CD2-CD1 4.04Å; L871-L874 HydrophobicContact CD2-CG 4.09Å; L871-L874 HydrophobicContact CG-CD1 4.31Å; L871-L874 WeakPolarHBondContact O-CB 3.41Å; L871-L874 PolarHBondContact O-N 3.46Å; E872-L874 VanDerWaalsContact C-N 3.33Å; E872-L874 PolarHBondContact O-N 2.79Å; L874-Y894 HydrophobicContact CD2-CD2 3.53Å; L874-Y894 HydrophobicContact CD2-CE2 3.62Å; L874-Y894 HydrophobicContact CG-CE2 4.36Å; L874-R895 WeakPolarHBondContact O-CG 3.42Å; L874-Q898 PolarHBondContact O-OE1 2.72Å |
| 875 | Y | 46.7 | Very low | 41.3 | Very low | 2 Ų | 2 | 79.5 Ų | 79.5 | 1% | 0.008 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | -12.2 | 178.6 | -103.9 | -97.3 | 0 | 0 | 0 | 114.6 | D873 L929 L932 A933 Y936 R957 | D873-Y875 PolarHBondContact O-N 2.69Å; Y875-L929 HydrophobicContact CE2-CD2 4.13Å; Y875-L932 HydrophobicContact CD1-CB 4Å; Y875-L932 HydrophobicContact CE1-CB 4.08Å; Y875-A933 HydrophobicContact CE1-CB 4.4Å; Y875-Y936 AromaticContact CD1-CD2 3.86Å; Y875-Y936 HydrophobicContact CD1-CD2 3.86Å; Y875-Y936 AromaticContact CD1-CE2 3.86Å; Y875-Y936 HydrophobicContact CD1-CE2 3.86Å; Y875-Y936 HydrophobicContact CG-CE2 4.45Å; Y875-Y936 WeakPolarHBondContact O-CE2 3.48Å; Y875-R957 PolarHBondContact O-NH2 2.83Å |
| 876 | S | 48.7 | Very low | 41.7 | Very low | 21 Ų | 21 | 79.7 Ų | 79.7 | 15% | 0.147 | 45% | 0.448 | C | S | . | . | trans | -71 | 139.8 | 176.5 | 85.4 | 0 | 0 | 0 | 0 | 111.8 | E872 D873 A878 R895 | E872-S876 WeakPolarHBondContact O-CB 3.44Å; E872-S876 PolarHBondContact O-N 3.29Å; E872-S876 PolarHBondContact O-OG 3.36Å; D873-S876 PolarHBondContact OD1-OG 3.41Å; S876-A878 PolarHBondContact O-N 3.18Å; S876-R895 PolarHBondContact O-NH2 3.35Å | ||
| 877 | Q | 41.9 | Very low | 41.6 | Very low | 32 Ų | 32 | 82.5 Ų | 82.5 | 15% | 0.15 | 44% | 0.44 | C | S | . | . | trans | -81.5 | 97.6 | 158.2 | -79.8 | 177.8 | -27.4 | 0 | 0 | 106.5 | S879 R940 | Q877-S879 PolarHBondContact O-N 3.06Å; Q877-S879 PolarHBondContact O-OG 3.41Å; Q877-R940 VanDerWaalsContact OE1-CB 3.29Å | ||
| 878 | A | 45.2 | Very low | 41.9 | Very low | 29 Ų | 29 | 78.2 Ų | 78.2 | 24% | 0.24 | 43% | 0.427 | C | S | . | . | S | Bend | trans | 27.9 | 18.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | S876 S880 C881 | S876-A878 PolarHBondContact O-N 3.18Å; A878-S880 PolarHBondContact O-N 3.36Å; A878-C881 PolarHBondContact O-N 3.17Å |
| 879 | S | 38.9 | Very low | 42.2 | Very low | 85 Ų | 85 | 80.1 Ų | 80.1 | 59% | 0.594 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -10.5 | -176.5 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | Q877 | Q877-S879 PolarHBondContact O-N 3.06Å; Q877-S879 PolarHBondContact O-OG 3.41Å |
| 880 | S | 38.4 | Very low | 42.3 | Very low | 84 Ų | 84 | 85 Ų | 85 | 59% | 0.587 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -15.4 | 165.4 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | A878 | A878-S880 PolarHBondContact O-N 3.36Š|
| 881 | C | 34.2 | Very low | 42.5 | Very low | 46 Ų | 46 | 84.9 Ų | 84.9 | 31% | 0.311 | 45% | 0.454 | S | S | . | . | trans | -104 | 15.7 | -174.5 | -62.5 | 0 | 0 | 0 | 0 | 114.2 | A878 N883 D884 | A878-C881 PolarHBondContact O-N 3.17Å; C881-N883 PolarHBondContact O-N 3.1Å; C881-D884 PolarHBondContact O-N 3.16Å | ||
| 882 | I | 37.2 | Very low | 43.1 | Very low | 136 Ų | 136 | 86 Ų | 86 | 70% | 0.697 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -9.7 | 178.3 | -67 | 174.8 | 0 | 0 | 0 | 112.7 | ||
| 883 | N | 40.2 | Very low | 44.3 | Very low | 152 Ų | 152 | 88.6 Ų | 88.6 | 81% | 0.813 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | 8.9 | -178.4 | -72 | -16.4 | 0 | 0 | 0 | 116.9 | C881 | C881-N883 PolarHBondContact O-N 3.1Š|
| 884 | D | 35.2 | Very low | 45.4 | Very low | 119 Ų | 119 | 88.6 Ų | 88.6 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | trans | -139.8 | 101.1 | 175.1 | -95.8 | -41.3 | 0 | 0 | 0 | 112.6 | C881 N886 | C881-D884 PolarHBondContact O-N 3.16Å; D884-N886 PolarHBondContact O-N 3.1Å; D884-N886 VanDerWaalsContact O-N 3.08Å | ||
| 885 | E | 40.3 | Very low | 46.7 | Very low | 177 Ų | 177 | 89.5 Ų | 89.5 | 83% | 0.827 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -6.2 | 178.4 | -68.4 | -176.6 | 159.6 | 0 | 0 | 114.4 | T888 | E885-T888 WeakPolarHBondContact O-CG2 3.36Š|
| 886 | N | 42.4 | Very low | 48.3 | Very low | 151 Ų | 151 | 90.5 Ų | 90.5 | 81% | 0.807 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 0.9 | -171.9 | -73.5 | -25.4 | 0 | 0 | 0 | 115.4 | D884 | D884-N886 PolarHBondContact O-N 3.1Å; D884-N886 VanDerWaalsContact O-N 3.08Å |
| 887 | K | 36.7 | Very low | 50 | Low | 130 Ų | 130 | 90.7 Ų | 90.7 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | trans | -101.4 | 54.7 | 174.5 | -79.9 | -174 | 161.1 | -152.5 | 0 | 111.8 | E891 | K887-E891 WeakPolarHBondContact CD-OE1 3.16Å; K887-E891 WeakPolarHBondContact CE-OE1 3.13Å; K887-E891 IonicContact NZ-OE1 2.74Å; K887-E891 PolarHBondContact NZ-OE1 2.84Å | ||
| 888 | T | 41 | Very low | 52.1 | Low | 104 Ų | 104 | 89.2 Ų | 89.2 | 64% | 0.638 | 47% | 0.474 | S | S | * | . | trans | -102.6 | 4.9 | -162.5 | 42.7 | 0 | 0 | 0 | 0 | 118.7 | E885 | E885-T888 WeakPolarHBondContact O-CG2 3.36Š| ||
| 889 | D | 47.5 | Very low | 54.1 | Low | 132 Ų | 132 | 87.9 Ų | 87.9 | 71% | 0.706 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -149.6 | -34.1 | 172.7 | -93.3 | -41.9 | 0 | 0 | 0 | 117.1 | E891 S892 | D889-E891 PolarHBondContact O-N 2.81Å; D889-S892 PolarHBondContact O-N 2.77Å; D889-S892 PolarHBondContact O-OG 3.06Å |
| 890 | E | 41.3 | Very low | 56.4 | Low | 186 Ų | 186 | 88 Ų | 88 | 87% | 0.869 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -74.6 | -28 | -173 | -64.9 | -156.3 | 158.4 | 0 | 0 | 114.8 | S892 | E890-S892 PolarHBondContact O-N 3.21Š|
| 891 | E | 46.8 | Very low | 58.9 | Low | 69 Ų | 69 | 84.1 Ų | 84.1 | 32% | 0.322 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -67.2 | -1 | 178.2 | -75.4 | -179.3 | 171 | 0 | 0 | 113.5 | K887 D889 Y894 | K887-E891 WeakPolarHBondContact CD-OE1 3.16Å; K887-E891 WeakPolarHBondContact CE-OE1 3.13Å; K887-E891 IonicContact NZ-OE1 2.74Å; K887-E891 PolarHBondContact NZ-OE1 2.84Å; D889-E891 PolarHBondContact O-N 2.81Å; E891-Y894 WeakPolarHBondContact O-CE1 3.17Å |
| 892 | S | 61.1 | Low | 61.6 | Low | 45 Ų | 45 | 82 Ų | 82 | 32% | 0.315 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -97 | -18.6 | -176.2 | 70.7 | 0 | 0 | 0 | 0 | 115.8 | D889 E890 L896 | D889-S892 PolarHBondContact O-N 2.77Å; D889-S892 PolarHBondContact O-OG 3.06Å; E890-S892 PolarHBondContact O-N 3.21Å; S892-L896 WeakPolarHBondContact O-CB 3.45Å; S892-L896 WeakPolarHBondContact O-CG 3.44Å; S892-L896 PolarHBondContact O-N 2.84Å |
| 893 | K | 70.8 | Confident | 64.1 | Low | 133 Ų | 133 | 75.7 Ų | 75.7 | 58% | 0.578 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.3 | -50.3 | -168 | -170.8 | 178.8 | 176.2 | -173.7 | 0 | 113.8 | R895 L896 N897 | K893-R895 PolarHBondContact O-N 3.49Å; K893-L896 PolarHBondContact O-N 3.17Å; K893-N897 PolarHBondContact O-N 3.12Å |
| 894 | Y | 71.5 | Confident | 66.5 | Low | 27 Ų | 27 | 68.7 Ų | 68.7 | 11% | 0.106 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.3 | -35.7 | -178.5 | 62.1 | -91.7 | 0 | 0 | 0 | 112 | F821 L874 E891 N897 Q898 | F821-Y894 WeakPolarHBondContact CD2-O 3.47Å; L874-Y894 HydrophobicContact CD2-CD2 3.53Å; L874-Y894 HydrophobicContact CD2-CE2 3.62Å; L874-Y894 HydrophobicContact CG-CE2 4.36Å; E891-Y894 WeakPolarHBondContact O-CE1 3.17Å; Y894-N897 PolarHBondContact O-N 3.4Å; Y894-Q898 PolarHBondContact O-N 3.03Å |
| 895 | R | 74.1 | Confident | 69.2 | Low | 20 Ų | 20 | 63 Ų | 63 | 8% | 0.075 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 172.9 | -177.9 | -171.9 | -65.3 | 160.8 | 3 | 111.3 | D873 L874 S876 K893 N897 Q898 L899 | D873-R895 PolarHBondContact O-NE 3.23Å; D873-R895 PolarHBondContact O-NH2 3.24Å; L874-R895 WeakPolarHBondContact O-CG 3.42Å; S876-R895 PolarHBondContact O-NH2 3.35Å; K893-R895 PolarHBondContact O-N 3.49Å; R895-N897 VanDerWaalsContact C-N 3.33Å; R895-Q898 WeakPolarHBondContact O-CB 3.17Å; R895-Q898 PolarHBondContact O-N 2.98Å; R895-L899 HydrophobicContact CG-CD1 4.47Å; R895-L899 PolarHBondContact O-N 3.36Å; R895-L899 VanDerWaalsContact O-N 3.07Å |
| 896 | L | 81 | Confident | 71.6 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 12% | 0.12 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 175.8 | -68.6 | 173.8 | 0 | 0 | 0 | 110.9 | S892 K893 Q898 L899 K900 K952 A953 L956 | S892-L896 WeakPolarHBondContact O-CB 3.45Å; S892-L896 WeakPolarHBondContact O-CG 3.44Å; S892-L896 PolarHBondContact O-N 2.84Å; K893-L896 PolarHBondContact O-N 3.17Å; L896-Q898 PolarHBondContact O-N 3.31Å; L896-L899 PolarHBondContact O-N 3.41Å; L896-K900 WeakPolarHBondContact O-CB 3.13Å; L896-K900 VanDerWaalsContact O-CG 3.24Å; L896-K900 WeakPolarHBondContact O-CG 3.26Å; L896-K900 PolarHBondContact O-N 3.11Å; L896-K952 HydrophobicContact CD1-CB 4.31Å; L896-K952 HydrophobicContact CD1-CD 4.1Å; L896-K952 HydrophobicContact CD2-CB 3.6Å; L896-A953 HydrophobicContact CD2-CB 4.41Å; L896-L956 HydrophobicContact CD2-CD1 3.75Å |
| 897 | N | 83.8 | Confident | 73.8 | Confident | 25 Ų | 25 | 47.7 Ų | 47.7 | 13% | 0.134 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.1 | -37.6 | 177.8 | -74.4 | -14.6 | 0 | 0 | 0 | 112.8 | D818 F821 K893 Y894 R895 L901 | D818-N897 PolarHBondContact OD1-ND2 2.94Å; F821-N897 HydrophobicContact CB-CB 4.37Å; K893-N897 PolarHBondContact O-N 3.12Å; Y894-N897 PolarHBondContact O-N 3.4Å; R895-N897 VanDerWaalsContact C-N 3.33Å; N897-L901 VanDerWaalsContact O-CB 3.24Å; N897-L901 WeakPolarHBondContact O-CB 3.43Å; N897-L901 PolarHBondContact O-N 3.44Å |
| 898 | Q | 86 | Confident | 76.3 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -49.5 | 171.4 | -177.7 | -168 | 8.5 | 0 | 0 | 112.2 | F821 L874 Y894 R895 L896 L901 F902 | F821-Q898 HydrophobicContact CD1-CB 4.15Å; F821-Q898 HydrophobicContact CD1-CG 4.37Å; F821-Q898 HydrophobicContact CD2-CB 4.21Å; F821-Q898 HydrophobicContact CE1-CB 3.79Å; F821-Q898 HydrophobicContact CE1-CG 3.7Å; F821-Q898 HydrophobicContact CE2-CB 3.86Å; F821-Q898 HydrophobicContact CE2-CG 4.48Å; F821-Q898 HydrophobicContact CG-CB 4.36Å; F821-Q898 HydrophobicContact CZ-CB 3.64Å; F821-Q898 HydrophobicContact CZ-CG 3.77Å; L874-Q898 PolarHBondContact O-OE1 2.72Å; Y894-Q898 PolarHBondContact O-N 3.03Å; R895-Q898 WeakPolarHBondContact O-CB 3.17Å; R895-Q898 PolarHBondContact O-N 2.98Å; L896-Q898 PolarHBondContact O-N 3.31Å; Q898-L901 PolarHBondContact O-N 3Å; Q898-F902 WeakPolarHBondContact O-CB 3.42Å; Q898-F902 PolarHBondContact O-N 3.33Å |
| 899 | L | 87.3 | Confident | 78.6 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.5 | -40.5 | -179 | -74.7 | 171.8 | 0 | 0 | 0 | 111.8 | R895 L896 F902 N903 A953 L956 R957 | R895-L899 HydrophobicContact CG-CD1 4.47Å; R895-L899 PolarHBondContact O-N 3.36Å; R895-L899 VanDerWaalsContact O-N 3.07Å; L896-L899 PolarHBondContact O-N 3.41Å; L899-F902 PolarHBondContact O-N 3.45Å; L899-N903 PolarHBondContact O-N 3.2Å; L899-A953 HydrophobicContact CD1-CB 3.9Å; L899-L956 HydrophobicContact CB-CB 3.9Å; L899-L956 HydrophobicContact CB-CD1 3.63Å; L899-L956 HydrophobicContact CB-CG 4.37Å; L899-L956 HydrophobicContact CD1-CB 4.23Å; L899-L956 HydrophobicContact CD1-CD1 4.3Å; L899-R957 HydrophobicContact CD1-CG 4.41Å; L899-R957 HydrophobicContact CD2-CG 4.04Å |
| 900 | K | 87.7 | Confident | 80.5 | Confident | 88 Ų | 88 | 31.2 Ų | 31.2 | 38% | 0.383 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60 | -48.6 | 172.9 | -75.1 | 176 | 177.5 | -171.8 | 0 | 111.4 | L896 F902 N903 I904 L956 Y1111 | L896-K900 WeakPolarHBondContact O-CB 3.13Å; L896-K900 VanDerWaalsContact O-CG 3.24Å; L896-K900 WeakPolarHBondContact O-CG 3.26Å; L896-K900 PolarHBondContact O-N 3.11Å; K900-F902 VanDerWaalsContact C-N 3.27Å; K900-F902 PolarHBondContact O-N 2.74Å; K900-N903 PolarHBondContact O-N 2.9Å; K900-I904 WeakPolarHBondContact O-CD1 3.38Å; K900-I904 VanDerWaalsContact O-CG1 3.31Å; K900-I904 WeakPolarHBondContact O-CG1 3.37Å; K900-I904 PolarHBondContact O-N 3.43Å; K900-I904 VanDerWaalsContact O-N 3.07Å; K900-L956 HydrophobicContact CG-CD1 3.98Å; K900-L956 HydrophobicContact CG-CD2 3.97Å; K900-Y1111 HydrophobicContact CB-CD1 4.49Å; K900-Y1111 HydrophobicContact CD-CD1 4.49Å |
| 901 | L | 90.7 | Very high | 82.7 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.7 | -42.8 | 175.5 | 177.9 | 62.5 | 0 | 0 | 0 | 111.1 | F821 A824 Y825 L828 F850 W851 N897 Q898 I904 W905 | F821-L901 HydrophobicContact CD1-CD2 4.24Å; A824-L901 HydrophobicContact CB-CD2 3.61Å; Y825-L901 HydrophobicContact CD2-CD1 4.3Å; L828-L901 HydrophobicContact CD2-CD1 4.26Å; F850-L901 HydrophobicContact CE1-CD2 3.95Å; F850-L901 HydrophobicContact CZ-CD2 3.89Å; W851-L901 HydrophobicContact CH2-CD2 4.38Å; W851-L901 HydrophobicContact CH2-CG 4.09Å; W851-L901 HydrophobicContact CZ2-CG 4.4Å; N897-L901 VanDerWaalsContact O-CB 3.24Å; N897-L901 WeakPolarHBondContact O-CB 3.43Å; N897-L901 PolarHBondContact O-N 3.44Å; Q898-L901 PolarHBondContact O-N 3Å; L901-I904 PolarHBondContact O-N 3.1Å; L901-W905 HydrophobicContact CD1-CE3 4.02Å; L901-W905 HydrophobicContact CG-CE3 4.38Å; L901-W905 WeakPolarHBondContact O-CB 3.49Å; L901-W905 PolarHBondContact O-N 3.17Å |
| 902 | F | 91.8 | Very high | 84.5 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 178.9 | -170.4 | -139.8 | 0 | 0 | 0 | 112.1 | W851 Q898 L899 K900 I904 W905 F906 L929 I930 L960 | W851-F902 AromaticContact CD2-CD2 3.73Å; W851-F902 HydrophobicContact CD2-CD2 3.73Å; W851-F902 AromaticContact CD2-CE2 3.97Å; W851-F902 HydrophobicContact CD2-CE2 3.97Å; W851-F902 AromaticContact CE2-CD2 3.57Å; W851-F902 AromaticContact CE3-CD2 3.74Å; W851-F902 HydrophobicContact CE3-CD2 3.74Å; W851-F902 HydrophobicContact CE3-CE2 4.18Å; W851-F902 HydrophobicContact CE3-CG 4.37Å; W851-F902 HydrophobicContact CG-CE2 4.4Å; W851-F902 HydrophobicContact CH2-CB 3.44Å; W851-F902 VanDerWaalsContact CH2-CB 3.44Å; W851-F902 AromaticContact CH2-CD2 3.56Å; W851-F902 HydrophobicContact CH2-CD2 3.56Å; W851-F902 AromaticContact CH2-CG 3.89Å; W851-F902 HydrophobicContact CH2-CG 3.89Å; W851-F902 HydrophobicContact CZ2-CB 4.11Å; W851-F902 AromaticContact CZ2-CD2 3.54Å; W851-F902 HydrophobicContact CZ2-CD2 3.54Å; W851-F902 HydrophobicContact CZ2-CE2 4.46Å; W851-F902 HydrophobicContact CZ2-CG 4.28Å; W851-F902 HydrophobicContact CZ3-CB 3.74Å; W851-F902 AromaticContact CZ3-CD2 3.63Å; W851-F902 HydrophobicContact CZ3-CD2 3.63Å; W851-F902 HydrophobicContact CZ3-CE2 4.49Å; W851-F902 AromaticContact CZ3-CG 3.9Å; W851-F902 HydrophobicContact CZ3-CG 3.9Å; Q898-F902 WeakPolarHBondContact O-CB 3.42Å; Q898-F902 PolarHBondContact O-N 3.33Å; L899-F902 PolarHBondContact O-N 3.45Å; K900-F902 VanDerWaalsContact C-N 3.27Å; K900-F902 PolarHBondContact O-N 2.74Å; F902-I904 VanDerWaalsContact C-N 3.34Å; F902-I904 PolarHBondContact O-N 3.1Å; F902-W905 PolarHBondContact O-N 3.37Å; F902-F906 HydrophobicContact CD2-CB 4.39Å; F902-F906 HydrophobicContact CE2-CB 4.35Å; F902-F906 WeakPolarHBondContact O-CB 3.35Å; F902-F906 PolarHBondContact O-N 2.86Å; F902-L929 HydrophobicContact CE1-CB 3.75Å; F902-L929 HydrophobicContact CE2-CD1 4.18Å; F902-L929 HydrophobicContact CZ-CB 3.73Å; F902-L929 HydrophobicContact CZ-CD1 4.14Å; F902-I930 HydrophobicContact CE1-CG1 4.33Å; F902-I930 HydrophobicContact CZ-CG1 4.22Å; F902-L960 HydrophobicContact CD1-CD1 3.81Å; F902-L960 HydrophobicContact CD1-CD2 3.72Å; F902-L960 HydrophobicContact CD1-CG 4.4Å; F902-L960 HydrophobicContact CE1-CD1 3.76Å; F902-L960 HydrophobicContact CE1-CD2 3.38Å; F902-L960 HydrophobicContact CE1-CG 4.21Å; F902-L960 HydrophobicContact CZ-CD1 4.4Å; F902-L960 HydrophobicContact CZ-CD2 4.45Å |
| 903 | N | 89.4 | Confident | 85.5 | Confident | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.7 | -46.3 | 177 | -81.5 | -9.8 | 0 | 0 | 0 | 112 | L899 K900 T907 L956 E959 L960 R963 | L899-N903 PolarHBondContact O-N 3.2Å; K900-N903 PolarHBondContact O-N 2.9Å; N903-T907 WeakPolarHBondContact O-CB 3.18Å; N903-T907 PolarHBondContact O-N 3.01Å; N903-T907 PolarHBondContact O-OG1 3.25Å; N903-L956 PolarHBondContact ND2-O 2.85Å; N903-L956 PolarHBondContact OD1-O 3.48Å; N903-E959 PolarHBondContact ND2-OE2 3.28Å; N903-L960 WeakPolarHBondContact OD1-CA 3.11Å; N903-L960 VanDerWaalsContact OD1-CB 3.26Å; N903-L960 WeakPolarHBondContact OD1-CB 3.15Å; N903-L960 WeakPolarHBondContact OD1-CD1 3.12Å; N903-R963 PolarHBondContact ND2-NH1 3.22Å |
| 904 | I | 89.5 | Confident | 86 | Confident | 5 Ų | 5 | 17.4 Ų | 17.4 | 3% | 0.026 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.1 | -53.4 | -179.9 | -63 | 159.9 | 0 | 0 | 0 | 110.8 | Y825 L828 K900 L901 F902 F906 T907 I908 F1110 Y1111 F1113 | Y825-I904 HydrophobicContact CD2-CD1 4.3Å; Y825-I904 HydrophobicContact CE2-CD1 3.83Å; L828-I904 HydrophobicContact CD2-CG2 4.19Å; K900-I904 WeakPolarHBondContact O-CD1 3.38Å; K900-I904 VanDerWaalsContact O-CG1 3.31Å; K900-I904 WeakPolarHBondContact O-CG1 3.37Å; K900-I904 PolarHBondContact O-N 3.43Å; K900-I904 VanDerWaalsContact O-N 3.07Å; L901-I904 PolarHBondContact O-N 3.1Å; F902-I904 VanDerWaalsContact C-N 3.34Å; F902-I904 PolarHBondContact O-N 3.1Å; I904-F906 VanDerWaalsContact C-N 3.28Å; I904-F906 PolarHBondContact O-N 2.87Å; I904-T907 PolarHBondContact O-N 3.29Å; I904-I908 HydrophobicContact CG2-CD1 3.88Å; I904-I908 WeakPolarHBondContact O-CG1 3.37Å; I904-I908 PolarHBondContact O-N 3.03Å; I904-F1110 HydrophobicContact CG2-CE1 4.22Å; I904-F1110 HydrophobicContact CG2-CZ 4.25Å; I904-Y1111 HydrophobicContact CD1-CD1 3.81Å; I904-Y1111 HydrophobicContact CD1-CG 4.5Å; I904-Y1111 WeakPolarHBondContact CD1-O 3.32Å; I904-Y1111 WeakPolarHBondContact CG1-O 3.48Å; I904-F1113 HydrophobicContact CG2-CB 3.94Å |
| 905 | W | 92.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.4 | -43.7 | -178.6 | -166 | -50.6 | 0 | 0 | 0 | 110.9 | A824 L828 F842 I843 S847 F850 W851 L901 F902 I908 Y909 | A824-W905 HydrophobicContact CB-CZ3 4.4Å; L828-W905 HydrophobicContact CD1-CD2 4.5Å; L828-W905 HydrophobicContact CD2-CB 3.97Å; L828-W905 HydrophobicContact CD2-CD2 4.1Å; L828-W905 HydrophobicContact CD2-CE3 3.88Å; L828-W905 HydrophobicContact CD2-CG 4.19Å; F842-W905 AromaticContact CE1-CH2 3.61Å; F842-W905 HydrophobicContact CE1-CH2 3.61Å; F842-W905 AromaticContact CE1-CZ2 3.77Å; F842-W905 HydrophobicContact CE1-CZ2 3.77Å; F842-W905 HydrophobicContact CE1-CZ3 4.33Å; F842-W905 AromaticContact CZ-CH2 3.85Å; F842-W905 HydrophobicContact CZ-CH2 3.85Å; F842-W905 HydrophobicContact CZ-CZ2 4.35Å; I843-W905 HydrophobicContact CD1-CD2 4.45Å; I843-W905 HydrophobicContact CD1-CG 4.29Å; S847-W905 PolarHBondContact OG-NE1 3.23Å; F850-W905 HydrophobicContact CB-CH2 4.47Å; F850-W905 HydrophobicContact CD1-CE3 4.3Å; F850-W905 HydrophobicContact CD1-CH2 4.05Å; F850-W905 AromaticContact CD1-CZ3 3.91Å; F850-W905 HydrophobicContact CD1-CZ3 3.91Å; F850-W905 HydrophobicContact CE1-CE3 4.27Å; F850-W905 HydrophobicContact CE1-CZ3 4Å; F850-W905 HydrophobicContact CG-CH2 4.27Å; F850-W905 HydrophobicContact CG-CZ3 4.46Å; W851-W905 HydrophobicContact CZ2-CB 3.78Å; W851-W905 AromaticContact CZ2-CD2 3.97Å; W851-W905 HydrophobicContact CZ2-CD2 3.97Å; W851-W905 HydrophobicContact CZ2-CE3 4.03Å; W851-W905 AromaticContact CZ2-CG 3.86Å; W851-W905 HydrophobicContact CZ2-CG 3.86Å; W851-W905 AromaticContact NE1-CD1 3.55Å; W851-W905 AromaticContact NE1-CD2 3.77Å; W851-W905 AromaticContact NE1-CE2 3.86Å; W851-W905 AromaticContact NE1-CG 3.62Å; W851-W905 AromaticContact NE1-NE1 3.68Å; L901-W905 HydrophobicContact CD1-CE3 4.02Å; L901-W905 HydrophobicContact CG-CE3 4.38Å; L901-W905 WeakPolarHBondContact O-CB 3.49Å; L901-W905 PolarHBondContact O-N 3.17Å; F902-W905 PolarHBondContact O-N 3.37Å; W905-I908 PolarHBondContact O-N 2.88Å; W905-Y909 WeakPolarHBondContact O-CB 3.44Å; W905-Y909 PolarHBondContact O-N 3.12Å |
| 906 | F | 90.6 | Very high | 86.4 | Confident | 5 Ų | 5 | 21.7 Ų | 21.7 | 2% | 0.022 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | 179.4 | -170.6 | -117.2 | 0 | 0 | 0 | 111.9 | F902 I904 I908 Y909 L910 L922 A926 I930 L960 L964 | F902-F906 HydrophobicContact CD2-CB 4.39Å; F902-F906 HydrophobicContact CE2-CB 4.35Å; F902-F906 WeakPolarHBondContact O-CB 3.35Å; F902-F906 PolarHBondContact O-N 2.86Å; I904-F906 VanDerWaalsContact C-N 3.28Å; I904-F906 PolarHBondContact O-N 2.87Å; F906-I908 PolarHBondContact O-N 3.24Å; F906-Y909 WeakPolarHBondContact O-CB 3.3Å; F906-Y909 PolarHBondContact O-N 3.01Å; F906-L910 HydrophobicContact CD1-CD1 3.78Å; F906-L910 HydrophobicContact CD1-CG 4.3Å; F906-L910 HydrophobicContact CE1-CD1 3.36Å; F906-L910 HydrophobicContact CE1-CD2 4.42Å; F906-L910 HydrophobicContact CE1-CG 4.01Å; F906-L910 HydrophobicContact CE2-CD1 4.46Å; F906-L910 HydrophobicContact CE2-CD2 4.2Å; F906-L910 HydrophobicContact CE2-CG 4.23Å; F906-L910 HydrophobicContact CG-CD1 4.49Å; F906-L910 HydrophobicContact CZ-CD1 3.72Å; F906-L910 HydrophobicContact CZ-CD2 3.9Å; F906-L910 HydrophobicContact CZ-CG 3.93Å; F906-L910 VanDerWaalsContact O-CG 3.3Å; F906-L910 WeakPolarHBondContact O-CG 3.31Å; F906-L910 PolarHBondContact O-N 2.75Å; F906-L922 HydrophobicContact CE2-CD2 3.91Å; F906-L922 HydrophobicContact CZ-CD1 4.44Å; F906-L922 HydrophobicContact CZ-CD2 4.28Å; F906-A926 HydrophobicContact CE2-CB 4.44Å; F906-I930 HydrophobicContact CE1-CD1 4.04Å; F906-I930 HydrophobicContact CE2-CD1 3.87Å; F906-I930 HydrophobicContact CZ-CD1 3.51Å; F906-L960 HydrophobicContact CB-CD1 4.24Å; F906-L960 HydrophobicContact CD1-CD1 3.58Å; F906-L960 HydrophobicContact CE1-CD1 4.23Å; F906-L960 HydrophobicContact CG-CD1 4.11Å; F906-L964 HydrophobicContact CE1-CB 4.39Å; F906-L964 HydrophobicContact CE1-CD1 4.04Å; F906-L964 HydrophobicContact CZ-CD1 3.74Å |
| 907 | T | 89 | Confident | 85.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.8 | -47.4 | 174.7 | -56 | 0 | 0 | 0 | 0 | 111.1 | N903 I904 Y909 L910 D911 R963 F1113 P1115 | N903-T907 WeakPolarHBondContact O-CB 3.18Å; N903-T907 PolarHBondContact O-N 3.01Å; N903-T907 PolarHBondContact O-OG1 3.25Å; I904-T907 PolarHBondContact O-N 3.29Å; T907-Y909 VanDerWaalsContact C-N 3.32Å; T907-Y909 PolarHBondContact O-N 3.27Å; T907-L910 PolarHBondContact O-N 3.35Å; T907-D911 PolarHBondContact O-N 3.13Å; T907-R963 WeakPolarHBondContact OG1-CD 3.48Å; T907-R963 PolarHBondContact OG1-NE 2.82Å; T907-F1113 HydrophobicContact CG2-CD1 3.84Å; T907-F1113 HydrophobicContact CG2-CE1 4.25Å; T907-P1115 HydrophobicContact CG2-CB 4.26Å; T907-P1115 HydrophobicContact CG2-CG 3.86Å |
| 908 | I | 89.5 | Confident | 84.8 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.8 | -44.9 | 176.2 | -68.2 | 169.4 | 0 | 0 | 0 | 110.8 | L828 L839 I843 I904 W905 F906 L910 D911 I912 F1110 F1113 | L828-I908 HydrophobicContact CD1-CD1 4.2Å; L828-I908 HydrophobicContact CD2-CD1 4.16Å; L828-I908 HydrophobicContact CG-CD1 4.29Å; L839-I908 HydrophobicContact CD1-CG2 4.09Å; L839-I908 HydrophobicContact CD2-CG2 3.89Å; L839-I908 HydrophobicContact CG-CG2 4.11Å; I843-I908 HydrophobicContact CD1-CG2 3.97Å; I843-I908 HydrophobicContact CG1-CG2 3.95Å; I904-I908 HydrophobicContact CG2-CD1 3.88Å; I904-I908 WeakPolarHBondContact O-CG1 3.37Å; I904-I908 PolarHBondContact O-N 3.03Å; W905-I908 PolarHBondContact O-N 2.88Å; F906-I908 PolarHBondContact O-N 3.24Å; I908-L910 VanDerWaalsContact C-N 3.34Å; I908-L910 PolarHBondContact O-N 3.15Å; I908-D911 PolarHBondContact O-N 3.15Å; I908-I912 HydrophobicContact CG2-CD1 3.78Å; I908-I912 WeakPolarHBondContact O-CD1 3.4Å; I908-I912 VanDerWaalsContact O-CG1 3.28Å; I908-I912 WeakPolarHBondContact O-CG1 3.31Å; I908-I912 PolarHBondContact O-N 3.43Å; I908-F1110 HydrophobicContact CD1-CE2 4.18Å; I908-F1110 HydrophobicContact CD1-CZ 3.9Å; I908-F1113 HydrophobicContact CD1-CD2 4.37Å; I908-F1113 HydrophobicContact CD1-CG 4.39Å; I908-F1113 HydrophobicContact CG1-CD1 3.78Å; I908-F1113 HydrophobicContact CG1-CD2 4.19Å; I908-F1113 HydrophobicContact CG1-CE1 3.79Å; I908-F1113 HydrophobicContact CG1-CE2 4.2Å; I908-F1113 HydrophobicContact CG1-CG 3.98Å; I908-F1113 HydrophobicContact CG1-CZ 4Å |
| 909 | Y | 89.3 | Confident | 83.7 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 176.9 | -176.8 | -81.6 | 0 | 0 | 0 | 111.5 | I843 W905 F906 T907 I912 Q913 T920 L922 P923 | I843-Y909 HydrophobicContact CG2-CD2 3.47Å; I843-Y909 VanDerWaalsContact CG2-CD2 3.47Å; I843-Y909 HydrophobicContact CG2-CE2 4.3Å; I843-Y909 HydrophobicContact CG2-CG 4.21Å; W905-Y909 WeakPolarHBondContact O-CB 3.44Å; W905-Y909 PolarHBondContact O-N 3.12Å; F906-Y909 WeakPolarHBondContact O-CB 3.3Å; F906-Y909 PolarHBondContact O-N 3.01Å; T907-Y909 VanDerWaalsContact C-N 3.32Å; T907-Y909 PolarHBondContact O-N 3.27Å; Y909-I912 PolarHBondContact O-N 3.01Å; Y909-Q913 HydrophobicContact CD1-CG 3.97Å; Y909-Q913 HydrophobicContact CE1-CG 3.6Å; Y909-Q913 VanDerWaalsContact O-CG 3.25Å; Y909-Q913 WeakPolarHBondContact O-CG 3.17Å; Y909-Q913 PolarHBondContact O-N 3.49Å; Y909-Q913 VanDerWaalsContact O-N 3.08Å; Y909-Q913 PolarHBondContact OH-NE2 2.86Å; Y909-T920 PolarHBondContact OH-OG1 3.11Å; Y909-L922 HydrophobicContact CD1-CD2 4.32Å; Y909-L922 HydrophobicContact CE1-CD2 3.88Å; Y909-P923 HydrophobicContact CE1-CG 4.5Å; Y909-P923 HydrophobicContact CE2-CG 3.91Å |
| 910 | L | 87.9 | Confident | 82.6 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.8 | -39.8 | -179.8 | -68.5 | -178.9 | 0 | 0 | 0 | 112.9 | F906 T907 I908 Q913 Y914 L922 Y967 M970 | F906-L910 HydrophobicContact CD1-CD1 3.78Å; F906-L910 HydrophobicContact CD1-CG 4.3Å; F906-L910 HydrophobicContact CE1-CD1 3.36Å; F906-L910 HydrophobicContact CE1-CD2 4.42Å; F906-L910 HydrophobicContact CE1-CG 4.01Å; F906-L910 HydrophobicContact CE2-CD1 4.46Å; F906-L910 HydrophobicContact CE2-CD2 4.2Å; F906-L910 HydrophobicContact CE2-CG 4.23Å; F906-L910 HydrophobicContact CG-CD1 4.49Å; F906-L910 HydrophobicContact CZ-CD1 3.72Å; F906-L910 HydrophobicContact CZ-CD2 3.9Å; F906-L910 HydrophobicContact CZ-CG 3.93Å; F906-L910 VanDerWaalsContact O-CG 3.3Å; F906-L910 WeakPolarHBondContact O-CG 3.31Å; F906-L910 PolarHBondContact O-N 2.75Å; T907-L910 PolarHBondContact O-N 3.35Å; I908-L910 VanDerWaalsContact C-N 3.34Å; I908-L910 PolarHBondContact O-N 3.15Å; L910-Q913 PolarHBondContact O-N 3.17Å; L910-Y914 VanDerWaalsContact O-CB 3.29Å; L910-Y914 WeakPolarHBondContact O-CB 3.28Å; L910-Y914 PolarHBondContact O-N 3.41Å; L910-L922 HydrophobicContact CD2-CD2 4.21Å; L910-Y967 HydrophobicContact CB-CD1 4.32Å; L910-Y967 HydrophobicContact CB-CD2 3.86Å; L910-Y967 HydrophobicContact CB-CE1 3.98Å; L910-Y967 HydrophobicContact CB-CE2 3.51Å; L910-Y967 HydrophobicContact CB-CG 4.24Å; L910-Y967 HydrophobicContact CD1-CD2 3.54Å; L910-Y967 HydrophobicContact CD1-CE2 3.51Å; L910-Y967 HydrophobicContact CD1-CG 4.47Å; L910-Y967 HydrophobicContact CG-CD2 4.23Å; L910-Y967 HydrophobicContact CG-CE2 4.15Å; L910-M970 HydrophobicContact CD2-CE 3.63Å; L910-M970 HydrophobicContact CD2-CG 3.79Å; L910-M970 HydrophobicContact CD2-SD 4.04Å |
| 911 | D | 86.5 | Confident | 81.9 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.3 | -39.1 | 176.4 | -83.5 | -21.9 | 0 | 0 | 0 | 112.3 | T907 I908 Y914 S915 Y967 I1116 | T907-D911 PolarHBondContact O-N 3.13Å; I908-D911 PolarHBondContact O-N 3.15Å; D911-Y914 PolarHBondContact O-N 3.45Å; D911-S915 WeakPolarHBondContact O-CB 3.44Å; D911-S915 PolarHBondContact O-N 2.9Å; D911-S915 PolarHBondContact O-OG 2.96Å; D911-Y967 VanDerWaalsContact OD1-CE1 3.31Å; D911-Y967 WeakPolarHBondContact OD1-CE1 3.22Å; D911-Y967 PolarHBondContact OD1-OH 2.94Å; D911-I1116 HydrophobicContact CB-CD1 4.05Å |
| 912 | I | 85.2 | Confident | 81.4 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63 | -45.9 | 174 | -69 | 165.4 | 0 | 0 | 0 | 110.6 | L839 Q840 I843 F844 I908 Y909 Y914 S915 Q916 | L839-I912 HydrophobicContact CG-CD1 4.37Å; Q840-I912 HydrophobicContact CG-CD1 4.06Å; Q840-I912 HydrophobicContact CG-CG1 4.13Å; Q840-I912 HydrophobicContact CG-CG2 3.91Å; I843-I912 HydrophobicContact CB-CD1 4.13Å; I843-I912 HydrophobicContact CG1-CD1 4.03Å; I843-I912 HydrophobicContact CG2-CD1 4.16Å; F844-I912 HydrophobicContact CE1-CG2 4.47Å; F844-I912 HydrophobicContact CE2-CG2 3.75Å; F844-I912 HydrophobicContact CZ-CG2 3.53Å; I908-I912 HydrophobicContact CG2-CD1 3.78Å; I908-I912 WeakPolarHBondContact O-CD1 3.4Å; I908-I912 VanDerWaalsContact O-CG1 3.28Å; I908-I912 WeakPolarHBondContact O-CG1 3.31Å; I908-I912 PolarHBondContact O-N 3.43Å; Y909-I912 PolarHBondContact O-N 3.01Å; I912-Y914 PolarHBondContact O-N 2.86Å; I912-S915 PolarHBondContact O-OG 3.15Å; I912-Q916 WeakPolarHBondContact O-CG 3.46Å; I912-Q916 PolarHBondContact O-N 3.18Å |
| 913 | Q | 82.5 | Confident | 80.9 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.1 | -44.6 | 177 | -71.3 | -74.5 | -30.3 | 0 | 0 | 112.2 | Y909 L910 Q917 K918 T920 | Y909-Q913 HydrophobicContact CD1-CG 3.97Å; Y909-Q913 HydrophobicContact CE1-CG 3.6Å; Y909-Q913 VanDerWaalsContact O-CG 3.25Å; Y909-Q913 WeakPolarHBondContact O-CG 3.17Å; Y909-Q913 PolarHBondContact O-N 3.49Å; Y909-Q913 VanDerWaalsContact O-N 3.08Å; Y909-Q913 PolarHBondContact OH-NE2 2.86Å; L910-Q913 PolarHBondContact O-N 3.17Å; Q913-Q917 PolarHBondContact O-N 3.3Å; Q913-K918 PolarHBondContact OE1-O 2.9Å; Q913-T920 PolarHBondContact NE2-OG1 2.91Å; Q913-T920 PolarHBondContact OE1-OG1 3.12Å |
| 914 | Y | 80.7 | Confident | 80.6 | Confident | 117 Ų | 117 | 42.6 Ų | 42.6 | 46% | 0.459 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.3 | -45.7 | -178.1 | -176.4 | -104.9 | 0 | 0 | 0 | 112 | L910 D911 I912 Q916 Q917 Y967 | L910-Y914 VanDerWaalsContact O-CB 3.29Å; L910-Y914 WeakPolarHBondContact O-CB 3.28Å; L910-Y914 PolarHBondContact O-N 3.41Å; D911-Y914 PolarHBondContact O-N 3.45Å; I912-Y914 PolarHBondContact O-N 2.86Å; Y914-Q916 PolarHBondContact O-N 3.41Å; Y914-Q917 PolarHBondContact O-N 3.2Å; Y914-Y967 HydrophobicContact CD2-CD1 4.03Å; Y914-Y967 AromaticContact CG-CD1 3.92Å; Y914-Y967 HydrophobicContact CG-CD1 3.92Å; Y914-Y967 HydrophobicContact CG-CE1 4.25Å |
| 915 | S | 78.9 | Confident | 80.3 | Confident | 77 Ų | 77 | 42.4 Ų | 42.4 | 54% | 0.538 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.9 | -33.8 | 179.8 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | D911 I912 | D911-S915 WeakPolarHBondContact O-CB 3.44Å; D911-S915 PolarHBondContact O-N 2.9Å; D911-S915 PolarHBondContact O-OG 2.96Å; I912-S915 PolarHBondContact O-OG 3.15Å |
| 916 | Q | 74.8 | Confident | 80.1 | Confident | 60 Ų | 60 | 42.5 Ų | 42.5 | 28% | 0.28 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -83.1 | -12.3 | -179.5 | -68.4 | -169.3 | 2.6 | 0 | 0 | 114.3 | I912 Y914 K918 | I912-Q916 WeakPolarHBondContact O-CG 3.46Å; I912-Q916 PolarHBondContact O-N 3.18Å; Y914-Q916 PolarHBondContact O-N 3.41Å; Q916-K918 HydrophobicContact CB-CB 4.06Å; Q916-K918 HydrophobicContact CB-CG 4.3Å; Q916-K918 PolarHBondContact O-N 3.37Å |
| 917 | Q | 68.2 | Low | 79.8 | Confident | 157 Ų | 157 | 42.3 Ų | 42.3 | 73% | 0.734 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 15.5 | -167.4 | -57.7 | -178.1 | -8 | 0 | 0 | 113.7 | Q913 Y914 F919 | Q913-Q917 PolarHBondContact O-N 3.3Å; Y914-Q917 PolarHBondContact O-N 3.2Å; Q917-F919 HydrophobicContact CB-CE2 4.48Å; Q917-F919 HydrophobicContact CB-CZ 4.41Å; Q917-F919 WeakPolarHBondContact O-CE2 3.48Å; Q917-F919 PolarHBondContact O-N 2.83Å |
| 918 | K | 63.7 | Low | 79.5 | Confident | 142 Ų | 142 | 42.3 Ų | 42.3 | 62% | 0.617 | 22% | 0.215 | S | C | * | . | trans | -98.4 | 82.3 | 178.2 | -77.2 | -176 | -178.3 | 174.6 | 0 | 107.9 | Q913 Q916 T920 | Q913-K918 PolarHBondContact OE1-O 2.9Å; Q916-K918 HydrophobicContact CB-CB 4.06Å; Q916-K918 HydrophobicContact CB-CG 4.3Å; Q916-K918 PolarHBondContact O-N 3.37Å; K918-T920 PolarHBondContact O-N 3.3Å | ||
| 919 | F | 62 | Low | 79.4 | Confident | 106 Ų | 106 | 42.1 Ų | 42.1 | 47% | 0.465 | 22% | 0.215 | S | C | . | . | trans | -72.8 | 93.7 | -179.4 | -52.3 | -63.3 | 0 | 0 | 0 | 110.2 | Q917 N969 | Q917-F919 HydrophobicContact CB-CE2 4.48Å; Q917-F919 HydrophobicContact CB-CZ 4.41Å; Q917-F919 WeakPolarHBondContact O-CE2 3.48Å; Q917-F919 PolarHBondContact O-N 2.83Å; F919-N969 HydrophobicContact CD1-CB 3.83Å; F919-N969 HydrophobicContact CE1-CB 3.83Å; F919-N969 VanDerWaalsContact CE1-CG 3.44Å; F919-N969 WeakPolarHBondContact CE1-ND2 3.44Å; F919-N969 HydrophobicContact CG-CB 4.44Å; F919-N969 HydrophobicContact CZ-CB 4.38Å; F919-N969 WeakPolarHBondContact CZ-ND2 3.47Å | ||
| 920 | T | 63.9 | Low | 79.4 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 42% | 0.423 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -79.5 | 155.1 | 163.7 | 62.5 | 0 | 0 | 0 | 0 | 109.2 | Y909 Q913 K918 | Y909-T920 PolarHBondContact OH-OG1 3.11Å; Q913-T920 PolarHBondContact NE2-OG1 2.91Å; Q913-T920 PolarHBondContact OE1-OG1 3.12Å; K918-T920 PolarHBondContact O-N 3.3Å |
| 921 | S | 73.3 | Confident | 79.2 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 45% | 0.448 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -57.8 | 147 | 170.8 | 48.6 | 0 | 0 | 0 | 0 | 110.7 | Y973 | S921-Y973 VanDerWaalsContact CA-OH 3.25Å; S921-Y973 WeakPolarHBondContact CA-OH 3.3Å |
| 922 | L | 79.6 | Confident | 79 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 145.2 | 172.7 | -78 | 179.9 | 0 | 0 | 0 | 109.5 | F906 Y909 L910 S924 I927 I930 L964 M970 Y973 | F906-L922 HydrophobicContact CE2-CD2 3.91Å; F906-L922 HydrophobicContact CZ-CD1 4.44Å; F906-L922 HydrophobicContact CZ-CD2 4.28Å; Y909-L922 HydrophobicContact CD1-CD2 4.32Å; Y909-L922 HydrophobicContact CE1-CD2 3.88Å; L910-L922 HydrophobicContact CD2-CD2 4.21Å; L922-S924 PolarHBondContact O-N 3.47Å; L922-I927 HydrophobicContact CB-CD1 3.97Å; L922-I927 HydrophobicContact CB-CG1 3.77Å; L922-I927 HydrophobicContact CD1-CG1 4.37Å; L922-I930 HydrophobicContact CD1-CD1 4.41Å; L922-L964 HydrophobicContact CD1-CD1 4.14Å; L922-M970 HydrophobicContact CD1-SD 4.16Å; L922-M970 HydrophobicContact CD2-CE 4.08Å; L922-M970 HydrophobicContact CD2-SD 4.02Å; L922-M970 HydrophobicContact CG-CE 4.5Å; L922-M970 HydrophobicContact CG-SD 3.97Å; L922-Y973 HydrophobicContact CB-CD1 4.2Å; L922-Y973 HydrophobicContact CB-CE1 3.84Å; L922-Y973 HydrophobicContact CD1-CD1 3.61Å; L922-Y973 HydrophobicContact CD1-CD2 4.1Å; L922-Y973 HydrophobicContact CD1-CE1 4.08Å; L922-Y973 HydrophobicContact CD1-CG 3.64Å; L922-Y973 HydrophobicContact CG-CD1 4.1Å; L922-Y973 HydrophobicContact CG-CD2 4.37Å; L922-Y973 HydrophobicContact CG-CE1 4.03Å; L922-Y973 HydrophobicContact CG-CE2 4.29Å; L922-Y973 HydrophobicContact CG-CG 4.28Å; L922-Y973 PolarHBondContact N-OH 2.85Å |
| 923 | P | 83.2 | Confident | 79 | Confident | 17 Ų | 17 | 40.8 Ų | 40.8 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -55 | 138.8 | 171.6 | -20.4 | 31.8 | 0 | 0 | 0 | 110.1 | E848 Y909 S925 A926 I927 | E848-P923 HydrophobicContact CB-CB 4.11Å; E848-P923 HydrophobicContact CG-CB 4.49Å; E848-P923 WeakPolarHBondContact OE2-CA 3.25Å; E848-P923 WeakPolarHBondContact OE2-CB 3.45Å; Y909-P923 HydrophobicContact CE1-CG 4.5Å; Y909-P923 HydrophobicContact CE2-CG 3.91Å; P923-S925 PolarHBondContact O-N 2.91Å; P923-A926 HydrophobicContact CB-CB 4.13Å; P923-A926 HydrophobicContact CG-CB 4.34Å; P923-A926 WeakPolarHBondContact O-CB 3.29Å; P923-A926 PolarHBondContact O-N 3.38Å; P923-A926 VanDerWaalsContact O-N 3.13Å; P923-I927 WeakPolarHBondContact O-CG1 3.32Å; P923-I927 PolarHBondContact O-N 3.12Å; P923-I927 VanDerWaalsContact O-N 3.09Å |
| 924 | S | 82.1 | Confident | 79.2 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 19% | 0.189 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -34.2 | -175.4 | -45.4 | 0 | 0 | 0 | 0 | 110.7 | E848 L922 I927 G928 L997 H1001 | E848-S924 WeakPolarHBondContact OE1-CA 3.37Å; E848-S924 VanDerWaalsContact OE1-CB 3.25Å; E848-S924 WeakPolarHBondContact OE1-CB 3.47Å; E848-S924 PolarHBondContact OE1-N 3.06Å; E848-S924 PolarHBondContact OE1-OG 3.46Å; E848-S924 PolarHBondContact OE2-N 2.88Å; L922-S924 PolarHBondContact O-N 3.47Å; S924-I927 WeakPolarHBondContact O-CB 3.24Å; S924-I927 PolarHBondContact O-N 2.73Å; S924-G928 PolarHBondContact O-N 2.91Å; S924-L997 WeakPolarHBondContact O-CD2 3.49Å; S924-H1001 PolarHBondContact OG-NE2 3.17Å |
| 925 | S | 84.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 175.3 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | E848 W851 V852 P923 I927 G928 L929 | E848-S925 VanDerWaalsContact OE2-CB 3.3Å; E848-S925 WeakPolarHBondContact OE2-CB 3.43Å; E848-S925 PolarHBondContact OE2-N 2.86Å; E848-S925 PolarHBondContact OE2-OG 3.25Å; W851-S925 WeakPolarHBondContact CB-OG 3.36Å; V852-S925 VanDerWaalsContact N-CB 3.26Å; V852-S925 PolarHBondContact N-OG 3.29Å; P923-S925 PolarHBondContact O-N 2.91Å; S925-I927 VanDerWaalsContact C-N 3.3Å; S925-I927 PolarHBondContact O-N 2.91Å; S925-G928 PolarHBondContact O-N 2.88Å; S925-G928 VanDerWaalsContact O-N 3.14Å; S925-L929 WeakPolarHBondContact O-CG 3.27Å; S925-L929 PolarHBondContact O-N 3.41Å |
| 926 | A | 86.7 | Confident | 79.2 | Confident | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F906 P923 G928 L929 I930 | F906-A926 HydrophobicContact CE2-CB 4.44Å; P923-A926 HydrophobicContact CB-CB 4.13Å; P923-A926 HydrophobicContact CG-CB 4.34Å; P923-A926 WeakPolarHBondContact O-CB 3.29Å; P923-A926 PolarHBondContact O-N 3.38Å; P923-A926 VanDerWaalsContact O-N 3.13Å; A926-G928 PolarHBondContact O-N 3.34Å; A926-L929 PolarHBondContact O-N 3.38Å; A926-I930 WeakPolarHBondContact O-CB 3.44Å; A926-I930 WeakPolarHBondContact O-CD1 3.14Å; A926-I930 WeakPolarHBondContact O-CG1 3.42Å; A926-I930 PolarHBondContact O-N 2.82Å |
| 927 | I | 84.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.8 | -47.8 | 173.3 | -68.4 | 169 | 0 | 0 | 0 | 111.3 | L922 P923 S924 S925 L929 I930 F931 Y973 L997 Y1000 | L922-I927 HydrophobicContact CB-CD1 3.97Å; L922-I927 HydrophobicContact CB-CG1 3.77Å; L922-I927 HydrophobicContact CD1-CG1 4.37Å; P923-I927 WeakPolarHBondContact O-CG1 3.32Å; P923-I927 PolarHBondContact O-N 3.12Å; P923-I927 VanDerWaalsContact O-N 3.09Å; S924-I927 WeakPolarHBondContact O-CB 3.24Å; S924-I927 PolarHBondContact O-N 2.73Å; S925-I927 VanDerWaalsContact C-N 3.3Å; S925-I927 PolarHBondContact O-N 2.91Å; I927-L929 PolarHBondContact O-N 2.88Å; I927-I930 PolarHBondContact O-N 2.98Å; I927-F931 WeakPolarHBondContact O-CB 3.18Å; I927-F931 PolarHBondContact O-N 3.29Å; I927-Y973 HydrophobicContact CD1-CD1 4.23Å; I927-Y973 HydrophobicContact CD1-CE1 3.95Å; I927-Y973 HydrophobicContact CG1-CD1 4.3Å; I927-Y973 HydrophobicContact CG1-CE1 4.44Å; I927-L997 HydrophobicContact CB-CD2 4.13Å; I927-L997 HydrophobicContact CG2-CD2 3.85Å; I927-Y1000 HydrophobicContact CD1-CD1 3.79Å; I927-Y1000 HydrophobicContact CD1-CE1 4.1Å; I927-Y1000 HydrophobicContact CD1-CG 4.2Å; I927-Y1000 HydrophobicContact CG1-CD1 4.44Å; I927-Y1000 HydrophobicContact CG1-CE1 4.33Å; I927-Y1000 HydrophobicContact CG2-CD1 3.89Å; I927-Y1000 HydrophobicContact CG2-CD2 3.16Å; I927-Y1000 HydrophobicContact CG2-CE1 3.88Å; I927-Y1000 HydrophobicContact CG2-CE2 3.1Å; I927-Y1000 HydrophobicContact CG2-CG 3.55Å; I927-Y1000 VanDerWaalsContact CG2-CZ 3.48Å |
| 928 | G | 82 | Confident | 80.4 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.2 | -43.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S924 S925 A926 F931 L932 | S924-G928 PolarHBondContact O-N 2.91Å; S925-G928 PolarHBondContact O-N 2.88Å; S925-G928 VanDerWaalsContact O-N 3.14Å; A926-G928 PolarHBondContact O-N 3.34Å; G928-F931 PolarHBondContact O-N 3.15Å; G928-L932 WeakPolarHBondContact O-CG 3.44Å; G928-L932 PolarHBondContact O-N 3.44Å |
| 929 | L | 87 | Confident | 80.9 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.9 | -39.3 | 178.1 | -67.4 | 172.3 | 0 | 0 | 0 | 112.6 | W851 I854 L855 Y875 F902 S925 A926 I927 F931 L932 A933 | W851-L929 HydrophobicContact CB-CD1 3.93Å; W851-L929 HydrophobicContact CD2-CD1 4.06Å; W851-L929 HydrophobicContact CE3-CD1 3.47Å; W851-L929 VanDerWaalsContact CE3-CD1 3.47Å; W851-L929 HydrophobicContact CG-CD1 4.26Å; W851-L929 HydrophobicContact CZ3-CD1 4.35Å; I854-L929 HydrophobicContact CG2-CD1 4.2Å; I854-L929 HydrophobicContact CG2-CD2 3.98Å; L855-L929 HydrophobicContact CB-CD2 4.28Å; L855-L929 HydrophobicContact CB-CG 4.43Å; L855-L929 HydrophobicContact CD1-CD2 3.99Å; L855-L929 HydrophobicContact CD1-CG 4.28Å; Y875-L929 HydrophobicContact CE2-CD2 4.13Å; F902-L929 HydrophobicContact CE1-CB 3.75Å; F902-L929 HydrophobicContact CE2-CD1 4.18Å; F902-L929 HydrophobicContact CZ-CB 3.73Å; F902-L929 HydrophobicContact CZ-CD1 4.14Å; S925-L929 WeakPolarHBondContact O-CG 3.27Å; S925-L929 PolarHBondContact O-N 3.41Å; A926-L929 PolarHBondContact O-N 3.38Å; I927-L929 PolarHBondContact O-N 2.88Å; L929-F931 VanDerWaalsContact C-N 3.35Å; L929-L932 HydrophobicContact CD2-CD1 4.5Å; L929-L932 PolarHBondContact O-N 2.97Å; L929-A933 VanDerWaalsContact O-CB 3.32Å; L929-A933 WeakPolarHBondContact O-CB 3.29Å; L929-A933 PolarHBondContact O-N 2.89Å |
| 930 | I | 89.5 | Confident | 81 | Confident | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.015 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 173.3 | -70.8 | 162.3 | 0 | 0 | 0 | 110.2 | F902 F906 L922 A926 I927 A933 A934 L960 L961 L964 T977 | F902-I930 HydrophobicContact CE1-CG1 4.33Å; F902-I930 HydrophobicContact CZ-CG1 4.22Å; F906-I930 HydrophobicContact CE1-CD1 4.04Å; F906-I930 HydrophobicContact CE2-CD1 3.87Å; F906-I930 HydrophobicContact CZ-CD1 3.51Å; L922-I930 HydrophobicContact CD1-CD1 4.41Å; A926-I930 WeakPolarHBondContact O-CB 3.44Å; A926-I930 WeakPolarHBondContact O-CD1 3.14Å; A926-I930 WeakPolarHBondContact O-CG1 3.42Å; A926-I930 PolarHBondContact O-N 2.82Å; I927-I930 PolarHBondContact O-N 2.98Å; I930-A933 PolarHBondContact O-N 3.29Å; I930-A934 VanDerWaalsContact O-CB 3.28Å; I930-A934 WeakPolarHBondContact O-CB 3.25Å; I930-A934 PolarHBondContact O-N 3.31Å; I930-L960 HydrophobicContact CG1-CD2 4.05Å; I930-L960 HydrophobicContact CG1-CG 4.47Å; I930-L961 HydrophobicContact CG2-CD2 4.03Å; I930-L964 HydrophobicContact CD1-CD1 4.5Å; I930-L964 HydrophobicContact CG2-CD2 4.14Å; I930-T977 HydrophobicContact CG2-CG2 4.11Å |
| 931 | F | 84.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 174.7 | 166.9 | -100.6 | 0 | 0 | 0 | 112 | I927 G928 L929 A934 K935 L980 V981 F984 P991 L993 L996 | I927-F931 WeakPolarHBondContact O-CB 3.18Å; I927-F931 PolarHBondContact O-N 3.29Å; G928-F931 PolarHBondContact O-N 3.15Å; L929-F931 VanDerWaalsContact C-N 3.35Å; F931-A934 PolarHBondContact O-N 2.79Å; F931-K935 HydrophobicContact CZ-CD 4.4Å; F931-K935 VanDerWaalsContact O-CB 3.3Å; F931-K935 WeakPolarHBondContact O-CB 3.35Å; F931-K935 PolarHBondContact O-N 2.84Å; F931-L980 HydrophobicContact CD2-CB 3.86Å; F931-L980 HydrophobicContact CD2-CD1 4.4Å; F931-L980 HydrophobicContact CE2-CB 3.76Å; F931-V981 HydrophobicContact CD2-CG2 3.91Å; F931-V981 HydrophobicContact CE2-CG2 3.99Å; F931-F984 HydrophobicContact CE2-CD2 4.19Å; F931-F984 HydrophobicContact CZ-CB 4.25Å; F931-F984 AromaticContact CZ-CD2 3.99Å; F931-F984 HydrophobicContact CZ-CD2 3.99Å; F931-F984 HydrophobicContact CZ-CG 4.31Å; F931-P991 HydrophobicContact CE1-CG 3.91Å; F931-P991 HydrophobicContact CZ-CG 4.22Å; F931-L993 HydrophobicContact CD1-CD1 3.87Å; F931-L993 HydrophobicContact CE1-CD1 4.09Å; F931-L996 HydrophobicContact CZ-CD1 4.37Å |
| 932 | L | 81.1 | Confident | 80.4 | Confident | 10 Ų | 10 | 16.9 Ų | 16.9 | 5% | 0.052 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.2 | -49.5 | 174.9 | -72.3 | 174.4 | 0 | 0 | 0 | 110.8 | L855 L859 Y875 G928 L929 A934 K935 Y936 | L855-L932 HydrophobicContact CD1-CD1 3.75Å; L859-L932 HydrophobicContact CD2-CD1 4.22Å; L859-L932 HydrophobicContact CD2-CD2 4.4Å; Y875-L932 HydrophobicContact CD1-CB 4Å; Y875-L932 HydrophobicContact CE1-CB 4.08Å; G928-L932 WeakPolarHBondContact O-CG 3.44Å; G928-L932 PolarHBondContact O-N 3.44Å; L929-L932 HydrophobicContact CD2-CD1 4.5Å; L929-L932 PolarHBondContact O-N 2.97Å; L932-A934 VanDerWaalsContact C-N 3.34Å; L932-A934 PolarHBondContact O-N 3.4Å; L932-K935 PolarHBondContact O-N 2.83Å; L932-Y936 HydrophobicContact CB-CD2 4.4Å; L932-Y936 HydrophobicContact CB-CE2 4.21Å; L932-Y936 HydrophobicContact CD2-CE2 4.27Å; L932-Y936 WeakPolarHBondContact O-CD2 3.29Å; L932-Y936 PolarHBondContact O-N 3.06Å |
| 933 | A | 86 | Confident | 79.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -54.3 | -49.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y875 L929 I930 Y936 C937 R957 L960 | Y875-A933 HydrophobicContact CE1-CB 4.4Å; L929-A933 VanDerWaalsContact O-CB 3.32Å; L929-A933 WeakPolarHBondContact O-CB 3.29Å; L929-A933 PolarHBondContact O-N 2.89Å; I930-A933 PolarHBondContact O-N 3.29Å; A933-Y936 PolarHBondContact O-N 3.36Å; A933-C937 PolarHBondContact O-N 3.46Å; A933-C937 PolarHBondContact O-SG 3.5Å; A933-R957 HydrophobicContact CB-CB 4.14Å; A933-R957 HydrophobicContact CB-CG 3.91Å; A933-L960 HydrophobicContact CB-CD2 3.76Å |
| 934 | A | 87.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I930 F931 L932 Y936 C937 L938 L961 T977 V981 | I930-A934 VanDerWaalsContact O-CB 3.28Å; I930-A934 WeakPolarHBondContact O-CB 3.25Å; I930-A934 PolarHBondContact O-N 3.31Å; F931-A934 PolarHBondContact O-N 2.79Å; L932-A934 VanDerWaalsContact C-N 3.34Å; L932-A934 PolarHBondContact O-N 3.4Å; A934-Y936 VanDerWaalsContact C-N 3.29Å; A934-Y936 PolarHBondContact O-N 3.25Å; A934-C937 PolarHBondContact O-N 2.79Å; A934-L938 HydrophobicContact CB-CD1 4.2Å; A934-L938 WeakPolarHBondContact O-CB 3.37Å; A934-L938 VanDerWaalsContact O-CG 3.29Å; A934-L938 WeakPolarHBondContact O-CG 2.98Å; A934-L938 PolarHBondContact O-N 3.32Å; A934-L961 HydrophobicContact CB-CD1 4.14Å; A934-L961 HydrophobicContact CB-CD2 4Å; A934-T977 HydrophobicContact CB-CG2 3.61Å; A934-V981 HydrophobicContact CB-CG2 3.66Å |
| 935 | K | 80.7 | Confident | 77.5 | Confident | 29 Ų | 29 | 28.3 Ų | 28.3 | 13% | 0.126 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -57.7 | -43.6 | 176.1 | -178.4 | -179.1 | -178.7 | 176.6 | 0 | 111.4 | F931 L932 I939 | F931-K935 HydrophobicContact CZ-CD 4.4Å; F931-K935 VanDerWaalsContact O-CB 3.3Å; F931-K935 WeakPolarHBondContact O-CB 3.35Å; F931-K935 PolarHBondContact O-N 2.84Å; L932-K935 PolarHBondContact O-N 2.83Å; K935-I939 HydrophobicContact CG-CD1 4.14Å; K935-I939 WeakPolarHBondContact O-CB 3.41Å; K935-I939 PolarHBondContact O-N 3.36Å |
| 936 | Y | 78.5 | Confident | 76.4 | Confident | 26 Ų | 26 | 37.8 Ų | 37.8 | 10% | 0.102 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -72.6 | -41.6 | -178.9 | -72 | -63.8 | 0 | 0 | 0 | 113 | Y875 L932 A933 A934 A941 | Y875-Y936 AromaticContact CD1-CD2 3.86Å; Y875-Y936 HydrophobicContact CD1-CD2 3.86Å; Y875-Y936 AromaticContact CD1-CE2 3.86Å; Y875-Y936 HydrophobicContact CD1-CE2 3.86Å; Y875-Y936 HydrophobicContact CG-CE2 4.45Å; Y875-Y936 WeakPolarHBondContact O-CE2 3.48Å; L932-Y936 HydrophobicContact CB-CD2 4.4Å; L932-Y936 HydrophobicContact CB-CE2 4.21Å; L932-Y936 HydrophobicContact CD2-CE2 4.27Å; L932-Y936 WeakPolarHBondContact O-CD2 3.29Å; L932-Y936 PolarHBondContact O-N 3.06Å; A933-Y936 PolarHBondContact O-N 3.36Å; A934-Y936 VanDerWaalsContact C-N 3.29Å; A934-Y936 PolarHBondContact O-N 3.25Å; Y936-A941 PolarHBondContact O-N 3.47Å; Y936-A941 VanDerWaalsContact O-N 3.13Å |
| 937 | C | 84.6 | Confident | 75 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -85 | -25.4 | -177.8 | 67.9 | 0 | 0 | 0 | 0 | 114.5 | A933 A934 T954 R957 L958 | A933-C937 PolarHBondContact O-N 3.46Å; A933-C937 PolarHBondContact O-SG 3.5Å; A934-C937 PolarHBondContact O-N 2.79Å; C937-T954 HydrophobicContact CB-CG2 4.22Å; C937-R957 HydrophobicContact CB-CB 4.01Å; C937-L958 HydrophobicContact CB-CD2 4Å; C937-L958 HydrophobicContact CB-CG 4.13Å |
| 938 | L | 84.1 | Confident | 73.7 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -97 | -37.4 | -176.5 | -58.1 | -179 | 0 | 0 | 0 | 113.9 | A934 L958 L961 L978 V981 P1022 R1025 | A934-L938 HydrophobicContact CB-CD1 4.2Å; A934-L938 WeakPolarHBondContact O-CB 3.37Å; A934-L938 VanDerWaalsContact O-CG 3.29Å; A934-L938 WeakPolarHBondContact O-CG 2.98Å; A934-L938 PolarHBondContact O-N 3.32Å; L938-L958 HydrophobicContact CD2-CD2 4.38Å; L938-L961 HydrophobicContact CD1-CD1 4.1Å; L938-L961 HydrophobicContact CD2-CD1 4.29Å; L938-L961 HydrophobicContact CG-CD1 4.19Å; L938-L978 HydrophobicContact CD1-CD2 3.35Å; L938-V981 HydrophobicContact CB-CG1 4.38Å; L938-P1022 HydrophobicContact CD2-CB 4.19Å; L938-R1025 HydrophobicContact CD2-CB 4.24Å; L938-R1025 HydrophobicContact CD2-CG 3.88Å; L938-R1025 PolarHBondContact O-NH2 2.79Å |
| 939 | I | 73.4 | Confident | 72.8 | Confident | 65 Ų | 65 | 47.6 Ų | 47.6 | 33% | 0.333 | 25% | 0.248 | S | C | . | . | I | π-helix | trans | -95.2 | -47.6 | -178.2 | -61.5 | 164.6 | 0 | 0 | 0 | 111.9 | K935 V981 A985 | K935-I939 HydrophobicContact CG-CD1 4.14Å; K935-I939 WeakPolarHBondContact O-CB 3.41Å; K935-I939 PolarHBondContact O-N 3.36Å; I939-V981 HydrophobicContact CD1-CB 4.4Å; I939-V981 HydrophobicContact CD1-CG1 3.35Å; I939-V981 WeakPolarHBondContact CD1-O 3.5Å; I939-V981 HydrophobicContact CG1-CG1 3.61Å; I939-A985 HydrophobicContact CD1-CB 3.62Å; I939-A985 HydrophobicContact CG1-CB 4.08Å; I939-A985 HydrophobicContact CG2-CB 4.45Å |
| 940 | R | 63.3 | Low | 72 | Confident | 121 Ų | 121 | 48.5 Ų | 48.5 | 46% | 0.457 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -93.2 | -34 | -167.2 | -69.5 | -172.1 | 174.5 | -174.9 | -0.3 | 114.9 | Q877 | Q877-R940 VanDerWaalsContact OE1-CB 3.29Å |
| 941 | A | 63.2 | Low | 71.3 | Confident | 3 Ų | 3 | 51 Ų | 51 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -63.6 | 150.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y936 T954 R1025 | Y936-A941 PolarHBondContact O-N 3.47Å; Y936-A941 VanDerWaalsContact O-N 3.13Å; A941-T954 HydrophobicContact CB-CG2 4.02Å; A941-R1025 PolarHBondContact O-NH1 2.77Å; A941-R1025 PolarHBondContact O-NH2 3.3Å |
| 942 | P | 63 | Low | 71.1 | Confident | 42 Ų | 42 | 57.5 Ų | 57.5 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | trans | -81.3 | 150.4 | 168.7 | 33.3 | -33.5 | 0 | 0 | 0 | 111.5 | D944 S947 D948 R1025 R1029 | P942-D944 VanDerWaalsContact C-N 3.35Å; P942-S947 WeakPolarHBondContact CB-OG 3.26Å; P942-S947 VanDerWaalsContact CG-C 3.48Å; P942-S947 WeakPolarHBondContact CG-O 3.35Å; P942-S947 WeakPolarHBondContact CG-OG 3.44Å; P942-D948 HydrophobicContact CG-CB 4.15Å; P942-R1025 PolarHBondContact O-NH1 2.88Å; P942-R1029 PolarHBondContact O-NH2 3.22Å | ||
| 943 | E | 60.6 | Low | 71.1 | Confident | 130 Ų | 130 | 57.2 Ų | 57.2 | 61% | 0.607 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -63.6 | -43.4 | -177.1 | -72.9 | -178.8 | 172.2 | 0 | 0 | 110.6 | R1025 | E943-R1025 VanDerWaalsContact N-NH1 3.14Š|
| 944 | D | 62.7 | Low | 70.9 | Confident | 118 Ų | 118 | 57.3 Ų | 57.3 | 63% | 0.631 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -78.2 | 127.8 | -180 | -60 | -41.7 | 0 | 0 | 0 | 112.6 | P942 H946 S947 | P942-D944 VanDerWaalsContact C-N 3.35Å; D944-H946 PolarHBondContact O-N 2.92Å; D944-H946 VanDerWaalsContact O-N 3.15Å; D944-S947 PolarHBondContact O-N 3.14Å; D944-S947 VanDerWaalsContact O-N 3.15Å; D944-S947 PolarHBondContact O-OG 3.35Å |
| 945 | A | 59.6 | Low | 70.8 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 31% | 0.306 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -53.7 | -36.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S947 D948 | A945-S947 PolarHBondContact O-N 2.91Å; A945-D948 PolarHBondContact O-N 2.86Å |
| 946 | H | 61.2 | Low | 71.1 | Confident | 199 Ų | 199 | 57.8 Ų | 57.8 | 92% | 0.921 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -71.2 | -9.9 | -176.2 | -60.7 | -55.7 | 0 | 0 | 0 | 115.1 | D944 | D944-H946 PolarHBondContact O-N 2.92Å; D944-H946 VanDerWaalsContact O-N 3.15Å |
| 947 | S | 57.4 | Low | 71.6 | Confident | 65 Ų | 65 | 56.6 Ų | 56.6 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -105.4 | -0.6 | -176.8 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | P942 D944 A945 | P942-S947 WeakPolarHBondContact CB-OG 3.26Å; P942-S947 VanDerWaalsContact CG-C 3.48Å; P942-S947 WeakPolarHBondContact CG-O 3.35Å; P942-S947 WeakPolarHBondContact CG-OG 3.44Å; D944-S947 PolarHBondContact O-N 3.14Å; D944-S947 VanDerWaalsContact O-N 3.15Å; D944-S947 PolarHBondContact O-OG 3.35Å; A945-S947 PolarHBondContact O-N 2.91Å |
| 948 | D | 58.7 | Low | 71.9 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 10% | 0.102 | 30% | 0.297 | C | S | . | . | trans | -85.3 | 127.2 | -177.3 | -165.1 | -13 | 0 | 0 | 0 | 112.6 | P942 A945 T950 T954 R1029 | P942-D948 HydrophobicContact CG-CB 4.15Å; A945-D948 PolarHBondContact O-N 2.86Å; D948-T950 VanDerWaalsContact C-N 3.27Å; D948-T950 PolarHBondContact O-N 3.46Å; D948-T950 PolarHBondContact OD1-N 3.37Å; D948-T950 PolarHBondContact OD1-OG1 2.74Å; D948-T954 VanDerWaalsContact OD2-CB 3.26Å; D948-T954 WeakPolarHBondContact OD2-CB 3.31Å; D948-T954 PolarHBondContact OD2-OG1 3.45Å; D948-R1029 VanDerWaalsContact CB-NH2 3.27Å; D948-R1029 IonicContact OD2-CZ 2.68Å; D948-R1029 VanDerWaalsContact OD2-CZ 3.29Å; D948-R1029 IonicContact OD2-NH1 3.13Å; D948-R1029 PolarHBondContact OD2-NH1 3.45Å; D948-R1029 IonicContact OD2-NH2 3.97Å; D948-R1029 PolarHBondContact OD2-NH2 2.92Å | ||
| 949 | V | 62.1 | Low | 72.1 | Confident | 125 Ų | 125 | 57 Ų | 57 | 76% | 0.758 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -74.7 | -20 | 176.8 | -171.9 | 0 | 0 | 0 | 0 | 111.4 | ||
| 950 | T | 70 | Confident | 73 | Confident | 20 Ų | 20 | 53.9 Ų | 53.9 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | trans | -136.2 | 58.7 | -174.7 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | D948 K952 A953 T954 | D948-T950 VanDerWaalsContact C-N 3.27Å; D948-T950 PolarHBondContact O-N 3.46Å; D948-T950 PolarHBondContact OD1-N 3.37Å; D948-T950 PolarHBondContact OD1-OG1 2.74Å; T950-K952 PolarHBondContact O-N 2.85Å; T950-A953 PolarHBondContact O-N 3.36Å; T950-T954 PolarHBondContact O-N 2.6Å; T950-T954 VanDerWaalsContact O-N 3.16Å; T950-T954 PolarHBondContact O-OG1 3.25Å | ||
| 951 | P | 75 | Confident | 74.3 | Confident | 55 Ų | 55 | 48.1 Ų | 48.1 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.1 | -50.5 | -167.7 | 21 | -32.9 | 0 | 0 | 0 | 113.7 | A953 T954 E955 | P951-A953 VanDerWaalsContact C-N 3.3Å; P951-A953 PolarHBondContact O-N 3.43Å; P951-T954 WeakPolarHBondContact O-CB 3.48Å; P951-T954 PolarHBondContact O-N 2.85Å; P951-T954 VanDerWaalsContact O-N 3.13Å; P951-E955 WeakPolarHBondContact O-CG 3.38Å; P951-E955 PolarHBondContact O-N 3.49Å |
| 952 | K | 81.4 | Confident | 75.7 | Confident | 137 Ų | 137 | 48 Ų | 48 | 60% | 0.596 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.8 | -32.5 | -178.3 | -66.2 | 179.4 | -179 | 172 | 0 | 114 | L896 T950 L956 | L896-K952 HydrophobicContact CD1-CB 4.31Å; L896-K952 HydrophobicContact CD1-CD 4.1Å; L896-K952 HydrophobicContact CD2-CB 3.6Å; T950-K952 PolarHBondContact O-N 2.85Å; K952-L956 WeakPolarHBondContact O-CG 3.04Å; K952-L956 PolarHBondContact O-N 3.25Å |
| 953 | A | 80.3 | Confident | 76.9 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.4 | -35.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L896 L899 T950 P951 R957 | L896-A953 HydrophobicContact CD2-CB 4.41Å; L899-A953 HydrophobicContact CD1-CB 3.9Å; T950-A953 PolarHBondContact O-N 3.36Å; P951-A953 VanDerWaalsContact C-N 3.3Å; P951-A953 PolarHBondContact O-N 3.43Å; A953-R957 WeakPolarHBondContact O-CD 3.29Å; A953-R957 VanDerWaalsContact O-CG 3.26Å; A953-R957 WeakPolarHBondContact O-CG 3.26Å; A953-R957 PolarHBondContact O-N 3.07Å |
| 954 | T | 82.5 | Confident | 78.3 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -43.7 | 173.1 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | C937 A941 D948 T950 P951 R957 L958 | C937-T954 HydrophobicContact CB-CG2 4.22Å; A941-T954 HydrophobicContact CB-CG2 4.02Å; D948-T954 VanDerWaalsContact OD2-CB 3.26Å; D948-T954 WeakPolarHBondContact OD2-CB 3.31Å; D948-T954 PolarHBondContact OD2-OG1 3.45Å; T950-T954 PolarHBondContact O-N 2.6Å; T950-T954 VanDerWaalsContact O-N 3.16Å; T950-T954 PolarHBondContact O-OG1 3.25Å; P951-T954 WeakPolarHBondContact O-CB 3.48Å; P951-T954 PolarHBondContact O-N 2.85Å; P951-T954 VanDerWaalsContact O-N 3.13Å; T954-R957 PolarHBondContact O-N 3.16Å; T954-L958 HydrophobicContact CG2-CD1 4.12Å; T954-L958 HydrophobicContact CG2-CG 4.45Å; T954-L958 WeakPolarHBondContact O-CG 3.29Å; T954-L958 PolarHBondContact O-N 3.1Å |
| 955 | E | 85.2 | Confident | 79.6 | Confident | 23 Ų | 23 | 34.9 Ų | 34.9 | 11% | 0.107 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53.2 | -58.5 | 174.3 | -76 | 166.2 | -173.7 | 0 | 0 | 111.3 | P951 R957 L958 E959 S1032 L1033 | P951-E955 WeakPolarHBondContact O-CG 3.38Å; P951-E955 PolarHBondContact O-N 3.49Å; E955-R957 PolarHBondContact O-N 2.97Å; E955-R957 VanDerWaalsContact O-N 3.11Å; E955-L958 PolarHBondContact O-N 3.26Å; E955-E959 VanDerWaalsContact O-CG 3.29Å; E955-E959 WeakPolarHBondContact O-CG 3.31Å; E955-E959 PolarHBondContact O-N 2.89Å; E955-S1032 WeakPolarHBondContact OE1-CB 3.44Å; E955-S1032 PolarHBondContact OE1-OG 3.19Å; E955-L1033 HydrophobicContact CB-CD2 3.62Å; E955-L1033 HydrophobicContact CG-CD2 3.68Å |
| 956 | L | 87 | Confident | 80.9 | Confident | 16 Ų | 16 | 33.7 Ų | 33.7 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.1 | -33.3 | 179.9 | -68.6 | 168.5 | 0 | 0 | 0 | 113.5 | L896 L899 K900 N903 K952 L960 | L896-L956 HydrophobicContact CD2-CD1 3.75Å; L899-L956 HydrophobicContact CB-CB 3.9Å; L899-L956 HydrophobicContact CB-CD1 3.63Å; L899-L956 HydrophobicContact CB-CG 4.37Å; L899-L956 HydrophobicContact CD1-CB 4.23Å; L899-L956 HydrophobicContact CD1-CD1 4.3Å; K900-L956 HydrophobicContact CG-CD1 3.98Å; K900-L956 HydrophobicContact CG-CD2 3.97Å; N903-L956 PolarHBondContact ND2-O 2.85Å; N903-L956 PolarHBondContact OD1-O 3.48Å; K952-L956 WeakPolarHBondContact O-CG 3.04Å; K952-L956 PolarHBondContact O-N 3.25Å; L956-L960 PolarHBondContact O-N 3.47Å |
| 957 | R | 88.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -73.8 | -38.4 | 176.4 | -70.4 | 169.7 | -176.3 | 139.3 | -3.9 | 112.5 | Y875 L899 A933 C937 A953 T954 E955 E959 L960 L961 | Y875-R957 PolarHBondContact O-NH2 2.83Å; L899-R957 HydrophobicContact CD1-CG 4.41Å; L899-R957 HydrophobicContact CD2-CG 4.04Å; A933-R957 HydrophobicContact CB-CB 4.14Å; A933-R957 HydrophobicContact CB-CG 3.91Å; C937-R957 HydrophobicContact CB-CB 4.01Å; A953-R957 WeakPolarHBondContact O-CD 3.29Å; A953-R957 VanDerWaalsContact O-CG 3.26Å; A953-R957 WeakPolarHBondContact O-CG 3.26Å; A953-R957 PolarHBondContact O-N 3.07Å; T954-R957 PolarHBondContact O-N 3.16Å; E955-R957 PolarHBondContact O-N 2.97Å; E955-R957 VanDerWaalsContact O-N 3.11Å; R957-E959 VanDerWaalsContact C-N 3.32Å; R957-L960 WeakPolarHBondContact O-CB 3.48Å; R957-L960 PolarHBondContact O-N 2.87Å; R957-L961 PolarHBondContact O-N 3.48Å |
| 958 | L | 89.5 | Confident | 83.2 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.8 | -38.9 | 174.3 | -73.1 | 173.9 | 0 | 0 | 0 | 110.7 | C937 L938 T954 E955 L961 S962 R1025 W1026 R1029 | C937-L958 HydrophobicContact CB-CD2 4Å; C937-L958 HydrophobicContact CB-CG 4.13Å; L938-L958 HydrophobicContact CD2-CD2 4.38Å; T954-L958 HydrophobicContact CG2-CD1 4.12Å; T954-L958 HydrophobicContact CG2-CG 4.45Å; T954-L958 WeakPolarHBondContact O-CG 3.29Å; T954-L958 PolarHBondContact O-N 3.1Å; E955-L958 PolarHBondContact O-N 3.26Å; L958-L961 PolarHBondContact O-N 3.47Å; L958-S962 PolarHBondContact O-N 2.97Å; L958-R1025 HydrophobicContact CD1-CB 4.42Å; L958-R1025 HydrophobicContact CD2-CB 3.74Å; L958-W1026 PolarHBondContact O-NE1 3.45Å; L958-R1029 HydrophobicContact CD1-CB 3.85Å; L958-R1029 HydrophobicContact CD1-CG 3.74Å |
| 959 | E | 89.6 | Confident | 84.1 | Confident | 11 Ų | 11 | 27.2 Ų | 27.2 | 5% | 0.051 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 173.4 | -64 | 167.6 | -154.9 | 0 | 0 | 111.8 | N903 E955 R957 L961 S962 R963 L1033 D1038 | N903-E959 PolarHBondContact ND2-OE2 3.28Å; E955-E959 VanDerWaalsContact O-CG 3.29Å; E955-E959 WeakPolarHBondContact O-CG 3.31Å; E955-E959 PolarHBondContact O-N 2.89Å; R957-E959 VanDerWaalsContact C-N 3.32Å; E959-L961 VanDerWaalsContact C-N 3.3Å; E959-L961 PolarHBondContact O-N 2.93Å; E959-S962 WeakPolarHBondContact CA-OG 3.32Å; E959-S962 PolarHBondContact O-N 2.92Å; E959-S962 VanDerWaalsContact O-N 3.11Å; E959-S962 PolarHBondContact O-OG 2.93Å; E959-R963 WeakPolarHBondContact O-CG 3.33Å; E959-R963 PolarHBondContact O-N 2.88Å; E959-R963 IonicContact OE2-NH1 3.37Å; E959-R963 PolarHBondContact OE2-NH1 3.04Å; E959-L1033 HydrophobicContact CG-CD2 4.29Å; E959-L1033 WeakPolarHBondContact OE1-CD2 3.03Å; E959-D1038 HydrophobicContact CG-CB 4Å |
| 960 | L | 90.9 | Very high | 85.2 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.3 | -47 | 174.8 | -179.3 | 71.1 | 0 | 0 | 0 | 111.7 | F902 N903 F906 I930 A933 L956 R957 S962 R963 L964 | F902-L960 HydrophobicContact CD1-CD1 3.81Å; F902-L960 HydrophobicContact CD1-CD2 3.72Å; F902-L960 HydrophobicContact CD1-CG 4.4Å; F902-L960 HydrophobicContact CE1-CD1 3.76Å; F902-L960 HydrophobicContact CE1-CD2 3.38Å; F902-L960 HydrophobicContact CE1-CG 4.21Å; F902-L960 HydrophobicContact CZ-CD1 4.4Å; F902-L960 HydrophobicContact CZ-CD2 4.45Å; N903-L960 WeakPolarHBondContact OD1-CA 3.11Å; N903-L960 VanDerWaalsContact OD1-CB 3.26Å; N903-L960 WeakPolarHBondContact OD1-CB 3.15Å; N903-L960 WeakPolarHBondContact OD1-CD1 3.12Å; F906-L960 HydrophobicContact CB-CD1 4.24Å; F906-L960 HydrophobicContact CD1-CD1 3.58Å; F906-L960 HydrophobicContact CE1-CD1 4.23Å; F906-L960 HydrophobicContact CG-CD1 4.11Å; I930-L960 HydrophobicContact CG1-CD2 4.05Å; I930-L960 HydrophobicContact CG1-CG 4.47Å; A933-L960 HydrophobicContact CB-CD2 3.76Å; L956-L960 PolarHBondContact O-N 3.47Å; R957-L960 WeakPolarHBondContact O-CB 3.48Å; R957-L960 PolarHBondContact O-N 2.87Å; L960-S962 VanDerWaalsContact C-N 3.34Å; L960-R963 PolarHBondContact O-N 3.31Å; L960-L964 PolarHBondContact O-N 3.49Å; L960-L964 VanDerWaalsContact O-N 3.16Å |
| 961 | L | 92.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.9 | -39.4 | 177.5 | -66 | -178.4 | 0 | 0 | 0 | 111.8 | I930 A934 L938 R957 L958 E959 R963 L964 V965 F974 W1026 | I930-L961 HydrophobicContact CG2-CD2 4.03Å; A934-L961 HydrophobicContact CB-CD1 4.14Å; A934-L961 HydrophobicContact CB-CD2 4Å; L938-L961 HydrophobicContact CD1-CD1 4.1Å; L938-L961 HydrophobicContact CD2-CD1 4.29Å; L938-L961 HydrophobicContact CG-CD1 4.19Å; R957-L961 PolarHBondContact O-N 3.48Å; L958-L961 PolarHBondContact O-N 3.47Å; E959-L961 VanDerWaalsContact C-N 3.3Å; E959-L961 PolarHBondContact O-N 2.93Å; L961-R963 VanDerWaalsContact C-N 3.32Å; L961-R963 PolarHBondContact O-N 3.12Å; L961-L964 WeakPolarHBondContact O-CB 3.43Å; L961-L964 PolarHBondContact O-N 2.92Å; L961-V965 PolarHBondContact O-N 3.09Å; L961-F974 HydrophobicContact CB-CE2 4.38Å; L961-W1026 HydrophobicContact CB-CZ2 3.92Å |
| 962 | S | 91.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 177.4 | 76 | 0 | 0 | 0 | 0 | 111.2 | L958 E959 L960 L964 V965 L966 C1041 | L958-S962 PolarHBondContact O-N 2.97Å; E959-S962 WeakPolarHBondContact CA-OG 3.32Å; E959-S962 PolarHBondContact O-N 2.92Å; E959-S962 VanDerWaalsContact O-N 3.11Å; E959-S962 PolarHBondContact O-OG 2.93Å; L960-S962 VanDerWaalsContact C-N 3.34Å; S962-L964 VanDerWaalsContact C-N 3.31Å; S962-L964 PolarHBondContact O-N 3.04Å; S962-V965 PolarHBondContact O-N 2.9Å; S962-V965 VanDerWaalsContact O-N 3.08Å; S962-L966 WeakPolarHBondContact O-CG 3.39Å; S962-L966 PolarHBondContact O-N 2.68Å; S962-C1041 VanDerWaalsContact OG-CB 3.28Å; S962-C1041 WeakPolarHBondContact OG-CB 3.44Å |
| 963 | R | 89.5 | Confident | 86.5 | Confident | 12 Ų | 12 | 19.1 Ų | 19.1 | 5% | 0.045 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.3 | -38.2 | 176.3 | -74.2 | 168.1 | 167 | 102.7 | 12.1 | 112.2 | N903 T907 E959 L960 L961 V965 L966 Y967 D1038 | N903-R963 PolarHBondContact ND2-NH1 3.22Å; T907-R963 WeakPolarHBondContact OG1-CD 3.48Å; T907-R963 PolarHBondContact OG1-NE 2.82Å; E959-R963 WeakPolarHBondContact O-CG 3.33Å; E959-R963 PolarHBondContact O-N 2.88Å; E959-R963 IonicContact OE2-NH1 3.37Å; E959-R963 PolarHBondContact OE2-NH1 3.04Å; L960-R963 PolarHBondContact O-N 3.31Å; L961-R963 VanDerWaalsContact C-N 3.32Å; L961-R963 PolarHBondContact O-N 3.12Å; R963-V965 VanDerWaalsContact C-N 3.32Å; R963-V965 PolarHBondContact O-N 3.06Å; R963-L966 PolarHBondContact O-N 2.83Å; R963-Y967 WeakPolarHBondContact O-CD2 3.42Å; R963-Y967 WeakPolarHBondContact O-CE2 3.43Å; R963-D1038 IonicContact CZ-OD1 3.02Å; R963-D1038 IonicContact NH1-OD1 2.97Å; R963-D1038 PolarHBondContact NH1-OD1 2.81Å; R963-D1038 IonicContact NH2-OD1 2.69Å; R963-D1038 PolarHBondContact NH2-OD1 3.4Å |
| 964 | L | 89.4 | Confident | 87 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.4 | -39.4 | 175.2 | -173.4 | 68.8 | 0 | 0 | 0 | 112.2 | F906 L922 I930 L960 L961 S962 M970 F974 | F906-L964 HydrophobicContact CE1-CB 4.39Å; F906-L964 HydrophobicContact CE1-CD1 4.04Å; F906-L964 HydrophobicContact CZ-CD1 3.74Å; L922-L964 HydrophobicContact CD1-CD1 4.14Å; I930-L964 HydrophobicContact CD1-CD1 4.5Å; I930-L964 HydrophobicContact CG2-CD2 4.14Å; L960-L964 PolarHBondContact O-N 3.49Å; L960-L964 VanDerWaalsContact O-N 3.16Å; L961-L964 WeakPolarHBondContact O-CB 3.43Å; L961-L964 PolarHBondContact O-N 2.92Å; S962-L964 VanDerWaalsContact C-N 3.31Å; S962-L964 PolarHBondContact O-N 3.04Å; L964-M970 HydrophobicContact CD1-CB 3.72Å; L964-M970 HydrophobicContact CD1-CG 4.2Å; L964-M970 HydrophobicContact CG-CB 4.23Å; L964-M970 VanDerWaalsContact O-CB 3.31Å; L964-M970 WeakPolarHBondContact O-CB 3.47Å; L964-F974 HydrophobicContact CD2-CB 3.77Å; L964-F974 HydrophobicContact CD2-CD2 4.23Å; L964-F974 HydrophobicContact CG-CB 4.18Å |
| 965 | V | 89.8 | Confident | 87.2 | Confident | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -73.2 | -27.9 | -178.4 | 177.2 | 0 | 0 | 0 | 0 | 112.9 | L961 S962 R963 Y967 W971 F974 W1026 A1045 T1048 | L961-V965 PolarHBondContact O-N 3.09Å; S962-V965 PolarHBondContact O-N 2.9Å; S962-V965 VanDerWaalsContact O-N 3.08Å; R963-V965 VanDerWaalsContact C-N 3.32Å; R963-V965 PolarHBondContact O-N 3.06Å; V965-Y967 PolarHBondContact O-N 3.06Å; V965-Y967 VanDerWaalsContact O-N 3.09Å; V965-W971 HydrophobicContact CG1-CE3 4.27Å; V965-W971 HydrophobicContact CG1-CZ3 4.03Å; V965-F974 HydrophobicContact CG2-CB 4.21Å; V965-F974 HydrophobicContact CG2-CD1 3.62Å; V965-F974 HydrophobicContact CG2-CD2 3.48Å; V965-F974 VanDerWaalsContact CG2-CD2 3.48Å; V965-F974 HydrophobicContact CG2-CE1 3.71Å; V965-F974 HydrophobicContact CG2-CE2 3.58Å; V965-F974 HydrophobicContact CG2-CG 3.49Å; V965-F974 VanDerWaalsContact CG2-CG 3.49Å; V965-F974 HydrophobicContact CG2-CZ 3.68Å; V965-W1026 HydrophobicContact CG2-CH2 3.98Å; V965-A1045 HydrophobicContact CB-CB 3.83Å; V965-A1045 HydrophobicContact CG1-CB 3.99Å; V965-A1045 HydrophobicContact CG2-CB 4.48Å; V965-T1048 HydrophobicContact CG1-CG2 3.7Å |
| 966 | L | 87.3 | Confident | 87.1 | Confident | 12 Ų | 12 | 19.7 Ų | 19.7 | 6% | 0.063 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -54.8 | -31.8 | 179.1 | -65.4 | 178.8 | 0 | 0 | 0 | 113 | S962 R963 P968 C1041 V1044 P1115 I1118 R1127 | S962-L966 WeakPolarHBondContact O-CG 3.39Å; S962-L966 PolarHBondContact O-N 2.68Å; R963-L966 PolarHBondContact O-N 2.83Å; L966-P968 WeakPolarHBondContact O-CD 3.47Å; L966-C1041 HydrophobicContact CD1-CB 4.19Å; L966-V1044 HydrophobicContact CD2-CB 3.53Å; L966-V1044 HydrophobicContact CD2-CG1 3.48Å; L966-V1044 VanDerWaalsContact CD2-CG1 3.48Å; L966-V1044 HydrophobicContact CD2-CG2 4.49Å; L966-P1115 HydrophobicContact CD1-CB 3.93Å; L966-P1115 HydrophobicContact CD1-CG 3.74Å; L966-I1118 HydrophobicContact CD1-CD1 3.72Å; L966-I1118 HydrophobicContact CD1-CG1 4.45Å; L966-I1118 HydrophobicContact CD2-CD1 4.32Å; L966-R1127 PolarHBondContact O-NH1 3.47Å; L966-R1127 PolarHBondContact O-NH2 3.29Å |
| 967 | Y | 86.2 | Confident | 87.1 | Confident | 14 Ų | 14 | 19 Ų | 19 | 6% | 0.055 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -95.8 | 112.7 | -177.4 | -58 | -91 | 0 | 0 | 0 | 110.1 | L910 D911 Y914 R963 V965 N969 M970 | L910-Y967 HydrophobicContact CB-CD1 4.32Å; L910-Y967 HydrophobicContact CB-CD2 3.86Å; L910-Y967 HydrophobicContact CB-CE1 3.98Å; L910-Y967 HydrophobicContact CB-CE2 3.51Å; L910-Y967 HydrophobicContact CB-CG 4.24Å; L910-Y967 HydrophobicContact CD1-CD2 3.54Å; L910-Y967 HydrophobicContact CD1-CE2 3.51Å; L910-Y967 HydrophobicContact CD1-CG 4.47Å; L910-Y967 HydrophobicContact CG-CD2 4.23Å; L910-Y967 HydrophobicContact CG-CE2 4.15Å; D911-Y967 VanDerWaalsContact OD1-CE1 3.31Å; D911-Y967 WeakPolarHBondContact OD1-CE1 3.22Å; D911-Y967 PolarHBondContact OD1-OH 2.94Å; Y914-Y967 HydrophobicContact CD2-CD1 4.03Å; Y914-Y967 AromaticContact CG-CD1 3.92Å; Y914-Y967 HydrophobicContact CG-CD1 3.92Å; Y914-Y967 HydrophobicContact CG-CE1 4.25Å; R963-Y967 WeakPolarHBondContact O-CD2 3.42Å; R963-Y967 WeakPolarHBondContact O-CE2 3.43Å; V965-Y967 PolarHBondContact O-N 3.06Å; V965-Y967 VanDerWaalsContact O-N 3.09Å; Y967-N969 PolarHBondContact O-N 3.17Å; Y967-M970 WeakPolarHBondContact O-CB 3.46Å; Y967-M970 PolarHBondContact O-N 2.59Å |
| 968 | P | 80 | Confident | 87.1 | Confident | 65 Ų | 65 | 19.2 Ų | 19.2 | 42% | 0.422 | 9% | 0.093 | S | C | . | . | G | 310 helix | trans | -55.9 | -33.8 | -175 | -27.5 | 35.3 | 0 | 0 | 0 | 114 | L966 M970 W971 | L966-P968 WeakPolarHBondContact O-CD 3.47Å; P968-M970 PolarHBondContact O-N 2.83Å; P968-W971 VanDerWaalsContact O-CB 3.24Å; P968-W971 WeakPolarHBondContact O-CB 3.43Å; P968-W971 PolarHBondContact O-N 3.14Å |
| 969 | N | 78.1 | Confident | 86.7 | Confident | 68 Ų | 68 | 21.4 Ų | 21.4 | 36% | 0.364 | 10% | 0.103 | S | C | . | . | G | 310 helix | trans | -72.3 | -15.8 | -179.4 | -52.8 | -51.4 | 0 | 0 | 0 | 113 | F919 Y967 | F919-N969 HydrophobicContact CD1-CB 3.83Å; F919-N969 HydrophobicContact CE1-CB 3.83Å; F919-N969 VanDerWaalsContact CE1-CG 3.44Å; F919-N969 WeakPolarHBondContact CE1-ND2 3.44Å; F919-N969 HydrophobicContact CG-CB 4.44Å; F919-N969 HydrophobicContact CZ-CB 4.38Å; F919-N969 WeakPolarHBondContact CZ-ND2 3.47Å; Y967-N969 PolarHBondContact O-N 3.17Å |
| 970 | M | 85.3 | Confident | 86.3 | Confident | 8 Ų | 8 | 21.4 Ų | 21.4 | 4% | 0.039 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -93.7 | -3.1 | 177.9 | -62.2 | -58.5 | 168.4 | 0 | 0 | 112.9 | L910 L922 L964 Y967 P968 F972 Y973 F974 | L910-M970 HydrophobicContact CD2-CE 3.63Å; L910-M970 HydrophobicContact CD2-CG 3.79Å; L910-M970 HydrophobicContact CD2-SD 4.04Å; L922-M970 HydrophobicContact CD1-SD 4.16Å; L922-M970 HydrophobicContact CD2-CE 4.08Å; L922-M970 HydrophobicContact CD2-SD 4.02Å; L922-M970 HydrophobicContact CG-CE 4.5Å; L922-M970 HydrophobicContact CG-SD 3.97Å; L964-M970 HydrophobicContact CD1-CB 3.72Å; L964-M970 HydrophobicContact CD1-CG 4.2Å; L964-M970 HydrophobicContact CG-CB 4.23Å; L964-M970 VanDerWaalsContact O-CB 3.31Å; L964-M970 WeakPolarHBondContact O-CB 3.47Å; Y967-M970 WeakPolarHBondContact O-CB 3.46Å; Y967-M970 PolarHBondContact O-N 2.59Å; P968-M970 PolarHBondContact O-N 2.83Å; M970-F972 VanDerWaalsContact C-N 3.26Å; M970-F972 PolarHBondContact O-N 3.13Å; M970-Y973 WeakPolarHBondContact O-CB 2.86Å; M970-Y973 PolarHBondContact O-N 3.44Å; M970-Y973 HydrophobicContact SD-CD2 3.84Å; M970-Y973 HydrophobicContact SD-CE2 4.07Å; M970-F974 PolarHBondContact O-N 3.39Å; M970-F974 VanDerWaalsContact O-N 3.1Å |
| 971 | W | 85.6 | Confident | 85.8 | Confident | 27 Ų | 27 | 21.7 Ų | 21.7 | 10% | 0.102 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -52 | -43.9 | 179 | -179.8 | -106.6 | 0 | 0 | 0 | 112.6 | V965 P968 Y973 F974 T975 L1019 T1048 C1049 Q1052 | V965-W971 HydrophobicContact CG1-CE3 4.27Å; V965-W971 HydrophobicContact CG1-CZ3 4.03Å; P968-W971 VanDerWaalsContact O-CB 3.24Å; P968-W971 WeakPolarHBondContact O-CB 3.43Å; P968-W971 PolarHBondContact O-N 3.14Å; W971-Y973 VanDerWaalsContact C-N 3.33Å; W971-Y973 PolarHBondContact O-N 3.26Å; W971-F974 HydrophobicContact CE3-CD1 4.22Å; W971-F974 HydrophobicContact CH2-CD1 4.22Å; W971-F974 HydrophobicContact CH2-CE1 4.28Å; W971-F974 AromaticContact CZ3-CD1 3.86Å; W971-F974 HydrophobicContact CZ3-CD1 3.86Å; W971-F974 HydrophobicContact CZ3-CE1 4.11Å; W971-F974 WeakPolarHBondContact O-CB 3.37Å; W971-F974 PolarHBondContact O-N 3.2Å; W971-T975 HydrophobicContact CD2-CG2 4.19Å; W971-T975 HydrophobicContact CH2-CG2 4.36Å; W971-T975 HydrophobicContact CZ2-CG2 3.59Å; W971-T975 PolarHBondContact O-N 2.7Å; W971-T975 PolarHBondContact O-OG1 2.64Å; W971-L1019 HydrophobicContact CH2-CD1 4.21Å; W971-L1019 HydrophobicContact CH2-CD2 3.68Å; W971-L1019 HydrophobicContact CZ2-CD1 4.31Å; W971-L1019 HydrophobicContact CZ2-CD2 4.16Å; W971-T1048 HydrophobicContact CE3-CG2 4.17Å; W971-T1048 HydrophobicContact CZ3-CG2 4.07Å; W971-C1049 HydrophobicContact CH2-CB 4.41Å; W971-Q1052 HydrophobicContact CD2-CG 4.26Å; W971-Q1052 HydrophobicContact CE3-CG 4.44Å; W971-Q1052 HydrophobicContact CH2-CB 3.66Å; W971-Q1052 HydrophobicContact CH2-CG 3.59Å; W971-Q1052 HydrophobicContact CZ2-CB 3.31Å; W971-Q1052 HydrophobicContact CZ2-CG 3.33Å; W971-Q1052 HydrophobicContact CZ3-CG 4.13Å |
| 972 | F | 83.3 | Confident | 85.2 | Confident | 114 Ų | 114 | 27.7 Ų | 27.7 | 50% | 0.5 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 178.9 | -65.6 | -75.1 | 0 | 0 | 0 | 112.9 | M970 T975 Y976 | M970-F972 VanDerWaalsContact C-N 3.26Å; M970-F972 PolarHBondContact O-N 3.13Å; F972-T975 WeakPolarHBondContact CA-OG1 3.46Å; F972-T975 PolarHBondContact O-OG1 2.61Å; F972-T975 VanDerWaalsContact O-OG1 3.05Å; F972-Y976 VanDerWaalsContact O-CB 3.28Å; F972-Y976 WeakPolarHBondContact O-CB 3.37Å; F972-Y976 PolarHBondContact O-N 2.92Å |
| 973 | Y | 84.9 | Confident | 84.4 | Confident | 19 Ų | 19 | 34.2 Ų | 34.2 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.6 | -40.9 | 176.2 | -69.3 | -88.4 | 0 | 0 | 0 | 111.3 | S921 L922 I927 M970 W971 T977 Y1000 I1004 | S921-Y973 VanDerWaalsContact CA-OH 3.25Å; S921-Y973 WeakPolarHBondContact CA-OH 3.3Å; L922-Y973 HydrophobicContact CB-CD1 4.2Å; L922-Y973 HydrophobicContact CB-CE1 3.84Å; L922-Y973 HydrophobicContact CD1-CD1 3.61Å; L922-Y973 HydrophobicContact CD1-CD2 4.1Å; L922-Y973 HydrophobicContact CD1-CE1 4.08Å; L922-Y973 HydrophobicContact CD1-CG 3.64Å; L922-Y973 HydrophobicContact CG-CD1 4.1Å; L922-Y973 HydrophobicContact CG-CD2 4.37Å; L922-Y973 HydrophobicContact CG-CE1 4.03Å; L922-Y973 HydrophobicContact CG-CE2 4.29Å; L922-Y973 HydrophobicContact CG-CG 4.28Å; L922-Y973 PolarHBondContact N-OH 2.85Å; I927-Y973 HydrophobicContact CD1-CD1 4.23Å; I927-Y973 HydrophobicContact CD1-CE1 3.95Å; I927-Y973 HydrophobicContact CG1-CD1 4.3Å; I927-Y973 HydrophobicContact CG1-CE1 4.44Å; M970-Y973 WeakPolarHBondContact O-CB 2.86Å; M970-Y973 PolarHBondContact O-N 3.44Å; M970-Y973 HydrophobicContact SD-CD2 3.84Å; M970-Y973 HydrophobicContact SD-CE2 4.07Å; W971-Y973 VanDerWaalsContact C-N 3.33Å; W971-Y973 PolarHBondContact O-N 3.26Å; Y973-T977 WeakPolarHBondContact O-CB 3.39Å; Y973-T977 PolarHBondContact O-N 3.26Å; Y973-T977 PolarHBondContact O-OG1 3.29Å; Y973-Y1000 HydrophobicContact CD1-CD1 4.3Å; Y973-Y1000 AromaticContact CD1-CE1 3.52Å; Y973-Y1000 HydrophobicContact CD1-CE1 3.52Å; Y973-Y1000 HydrophobicContact CE1-CD1 4.44Å; Y973-Y1000 HydrophobicContact CE1-CE1 4.08Å; Y973-Y1000 HydrophobicContact CG-CE1 4.49Å; Y973-Y1000 PolarHBondContact O-OH 2.89Å; Y973-I1004 HydrophobicContact CD1-CD1 4.42Å; Y973-I1004 HydrophobicContact CE1-CD1 3.47Å; Y973-I1004 VanDerWaalsContact CE1-CD1 3.47Å; Y973-I1004 HydrophobicContact CE1-CG1 4.01Å |
| 974 | F | 89.7 | Confident | 83.5 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.4 | -52.7 | 175.7 | 176.4 | -106.7 | 0 | 0 | 0 | 111.3 | L961 L964 V965 M970 W971 Y976 T977 L978 L1019 P1022 W1026 C1049 | L961-F974 HydrophobicContact CB-CE2 4.38Å; L964-F974 HydrophobicContact CD2-CB 3.77Å; L964-F974 HydrophobicContact CD2-CD2 4.23Å; L964-F974 HydrophobicContact CG-CB 4.18Å; V965-F974 HydrophobicContact CG2-CB 4.21Å; V965-F974 HydrophobicContact CG2-CD1 3.62Å; V965-F974 HydrophobicContact CG2-CD2 3.48Å; V965-F974 VanDerWaalsContact CG2-CD2 3.48Å; V965-F974 HydrophobicContact CG2-CE1 3.71Å; V965-F974 HydrophobicContact CG2-CE2 3.58Å; V965-F974 HydrophobicContact CG2-CG 3.49Å; V965-F974 VanDerWaalsContact CG2-CG 3.49Å; V965-F974 HydrophobicContact CG2-CZ 3.68Å; M970-F974 PolarHBondContact O-N 3.39Å; M970-F974 VanDerWaalsContact O-N 3.1Å; W971-F974 HydrophobicContact CE3-CD1 4.22Å; W971-F974 HydrophobicContact CH2-CD1 4.22Å; W971-F974 HydrophobicContact CH2-CE1 4.28Å; W971-F974 AromaticContact CZ3-CD1 3.86Å; W971-F974 HydrophobicContact CZ3-CD1 3.86Å; W971-F974 HydrophobicContact CZ3-CE1 4.11Å; W971-F974 WeakPolarHBondContact O-CB 3.37Å; W971-F974 PolarHBondContact O-N 3.2Å; F974-Y976 VanDerWaalsContact C-N 3.33Å; F974-Y976 PolarHBondContact O-N 2.88Å; F974-T977 WeakPolarHBondContact O-CB 3.38Å; F974-T977 PolarHBondContact O-N 3Å; F974-L978 HydrophobicContact CD1-CD1 4.07Å; F974-L978 HydrophobicContact CE1-CD1 3.55Å; F974-L978 HydrophobicContact CE1-CG 4.44Å; F974-L978 HydrophobicContact CE2-CD1 4.35Å; F974-L978 HydrophobicContact CE2-CD2 4.47Å; F974-L978 HydrophobicContact CE2-CG 4.49Å; F974-L978 HydrophobicContact CZ-CD1 3.72Å; F974-L978 HydrophobicContact CZ-CD2 4.43Å; F974-L978 HydrophobicContact CZ-CG 4.33Å; F974-L978 WeakPolarHBondContact O-CG 3.49Å; F974-L978 PolarHBondContact O-N 3.25Å; F974-L978 VanDerWaalsContact O-N 3.09Å; F974-L1019 HydrophobicContact CE1-CD2 3.82Å; F974-P1022 HydrophobicContact CZ-CB 3.99Å; F974-P1022 HydrophobicContact CZ-CG 3.85Å; F974-W1026 AromaticContact CE2-CH2 3.96Å; F974-W1026 HydrophobicContact CE2-CH2 3.96Å; F974-W1026 HydrophobicContact CE2-CZ2 4.32Å; F974-W1026 AromaticContact CZ-CH2 3.68Å; F974-W1026 HydrophobicContact CZ-CH2 3.68Å; F974-W1026 HydrophobicContact CZ-CZ2 4.45Å; F974-W1026 HydrophobicContact CZ-CZ3 4.44Å; F974-C1049 WeakPolarHBondContact CE1-SG 3.45Å |
| 975 | T | 86.9 | Confident | 82.4 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | -179.2 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | W971 F972 L978 Q979 L1015 | W971-T975 HydrophobicContact CD2-CG2 4.19Å; W971-T975 HydrophobicContact CH2-CG2 4.36Å; W971-T975 HydrophobicContact CZ2-CG2 3.59Å; W971-T975 PolarHBondContact O-N 2.7Å; W971-T975 PolarHBondContact O-OG1 2.64Å; F972-T975 WeakPolarHBondContact CA-OG1 3.46Å; F972-T975 PolarHBondContact O-OG1 2.61Å; F972-T975 VanDerWaalsContact O-OG1 3.05Å; T975-L978 PolarHBondContact O-N 2.6Å; T975-Q979 WeakPolarHBondContact O-CG 3.48Å; T975-Q979 PolarHBondContact O-N 3.28Å; T975-Q979 VanDerWaalsContact O-N 3.13Å; T975-L1015 HydrophobicContact CG2-CD1 4.17Å |
| 976 | Y | 83.9 | Confident | 80.9 | Confident | 34 Ų | 34 | 44 Ų | 44 | 13% | 0.133 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.8 | -37.4 | 177.7 | -172.3 | -89.8 | 0 | 0 | 0 | 111.9 | F972 F974 L978 Q979 L980 Y1000 S1003 | F972-Y976 VanDerWaalsContact O-CB 3.28Å; F972-Y976 WeakPolarHBondContact O-CB 3.37Å; F972-Y976 PolarHBondContact O-N 2.92Å; F974-Y976 VanDerWaalsContact C-N 3.33Å; F974-Y976 PolarHBondContact O-N 2.88Å; Y976-L978 VanDerWaalsContact C-N 3.31Å; Y976-L978 PolarHBondContact O-N 2.91Å; Y976-Q979 PolarHBondContact O-N 3.18Å; Y976-L980 HydrophobicContact CD1-CD1 3.59Å; Y976-L980 HydrophobicContact CD1-CG 3.92Å; Y976-L980 HydrophobicContact CE1-CD1 3.25Å; Y976-L980 HydrophobicContact CE1-CD2 3.98Å; Y976-L980 HydrophobicContact CE1-CG 3.6Å; Y976-L980 WeakPolarHBondContact O-CG 3.48Å; Y976-L980 PolarHBondContact O-N 3.07Å; Y976-Y1000 AromaticContact CD1-CD1 3.96Å; Y976-Y1000 HydrophobicContact CD1-CD1 3.96Å; Y976-Y1000 AromaticContact CD1-CD2 3.59Å; Y976-Y1000 HydrophobicContact CD1-CD2 3.59Å; Y976-Y1000 AromaticContact CD1-CE1 3.61Å; Y976-Y1000 HydrophobicContact CD1-CE1 3.61Å; Y976-Y1000 AromaticContact CD1-CE2 3.24Å; Y976-Y1000 HydrophobicContact CD1-CE2 3.24Å; Y976-Y1000 AromaticContact CD1-CG 3.96Å; Y976-Y1000 HydrophobicContact CD1-CG 3.96Å; Y976-Y1000 AromaticContact CD1-CZ 3.25Å; Y976-Y1000 HydrophobicContact CE1-CD1 4.02Å; Y976-Y1000 AromaticContact CE1-CD2 3.28Å; Y976-Y1000 HydrophobicContact CE1-CD2 3.28Å; Y976-Y1000 HydrophobicContact CE1-CE1 4.13Å; Y976-Y1000 AromaticContact CE1-CE2 3.47Å; Y976-Y1000 HydrophobicContact CE1-CE2 3.47Å; Y976-Y1000 VanDerWaalsContact CE1-CE2 3.47Å; Y976-Y1000 AromaticContact CE1-CG 3.6Å; Y976-Y1000 HydrophobicContact CE1-CG 3.6Å; Y976-Y1000 AromaticContact CE1-CZ 3.89Å; Y976-Y1000 HydrophobicContact CG-CE1 4.33Å; Y976-Y1000 HydrophobicContact CG-CE2 4.49Å; Y976-S1003 WeakPolarHBondContact CE2-OG 3.18Å; Y976-S1003 PolarHBondContact OH-OG 2.83Å |
| 977 | T | 86.7 | Confident | 79.1 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.4 | -47.3 | 172.4 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | I930 A934 Y973 F974 Q979 L980 V981 Y1000 | I930-T977 HydrophobicContact CG2-CG2 4.11Å; A934-T977 HydrophobicContact CB-CG2 3.61Å; Y973-T977 WeakPolarHBondContact O-CB 3.39Å; Y973-T977 PolarHBondContact O-N 3.26Å; Y973-T977 PolarHBondContact O-OG1 3.29Å; F974-T977 WeakPolarHBondContact O-CB 3.38Å; F974-T977 PolarHBondContact O-N 3Å; T977-Q979 VanDerWaalsContact C-N 3.31Å; T977-Q979 PolarHBondContact O-N 3.49Å; T977-L980 PolarHBondContact O-N 2.95Å; T977-V981 HydrophobicContact CG2-CG2 4.24Å; T977-V981 WeakPolarHBondContact O-CB 3.24Å; T977-V981 WeakPolarHBondContact O-CG2 3.42Å; T977-V981 PolarHBondContact O-N 3.45Å; T977-Y1000 PolarHBondContact N-OH 3.39Å; T977-Y1000 PolarHBondContact OG1-OH 3.36Å |
| 978 | L | 88.5 | Confident | 77.4 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 178.8 | -63.3 | 175.4 | 0 | 0 | 0 | 112.2 | L938 F974 T975 Y976 V981 R982 L1018 L1019 P1022 | L938-L978 HydrophobicContact CD1-CD2 3.35Å; F974-L978 HydrophobicContact CD1-CD1 4.07Å; F974-L978 HydrophobicContact CE1-CD1 3.55Å; F974-L978 HydrophobicContact CE1-CG 4.44Å; F974-L978 HydrophobicContact CE2-CD1 4.35Å; F974-L978 HydrophobicContact CE2-CD2 4.47Å; F974-L978 HydrophobicContact CE2-CG 4.49Å; F974-L978 HydrophobicContact CZ-CD1 3.72Å; F974-L978 HydrophobicContact CZ-CD2 4.43Å; F974-L978 HydrophobicContact CZ-CG 4.33Å; F974-L978 WeakPolarHBondContact O-CG 3.49Å; F974-L978 PolarHBondContact O-N 3.25Å; F974-L978 VanDerWaalsContact O-N 3.09Å; T975-L978 PolarHBondContact O-N 2.6Å; Y976-L978 VanDerWaalsContact C-N 3.31Å; Y976-L978 PolarHBondContact O-N 2.91Å; L978-V981 PolarHBondContact O-N 2.96Å; L978-R982 WeakPolarHBondContact O-CB 3.46Å; L978-R982 PolarHBondContact O-N 3.48Å; L978-L1018 HydrophobicContact CB-CB 4.21Å; L978-L1018 HydrophobicContact CB-CD2 4.17Å; L978-L1018 HydrophobicContact CD1-CB 4.36Å; L978-L1019 HydrophobicContact CD1-CD2 3.97Å; L978-P1022 HydrophobicContact CD1-CG 3.99Å; L978-P1022 HydrophobicContact CD2-CG 4.04Å |
| 979 | Q | 82.8 | Confident | 75.9 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 176.7 | -73.2 | -171.7 | -21 | 0 | 0 | 112.7 | T975 Y976 T977 R982 K983 C1008 C1009 L1018 | T975-Q979 WeakPolarHBondContact O-CG 3.48Å; T975-Q979 PolarHBondContact O-N 3.28Å; T975-Q979 VanDerWaalsContact O-N 3.13Å; Y976-Q979 PolarHBondContact O-N 3.18Å; T977-Q979 VanDerWaalsContact C-N 3.31Å; T977-Q979 PolarHBondContact O-N 3.49Å; Q979-R982 PolarHBondContact O-N 3.45Å; Q979-K983 WeakPolarHBondContact O-CB 3.47Å; Q979-K983 PolarHBondContact O-N 3.01Å; Q979-C1008 PolarHBondContact NE2-O 3.18Å; Q979-C1009 PolarHBondContact NE2-SG 3.49Å; Q979-L1018 HydrophobicContact CG-CD1 3.41Å; Q979-L1018 VanDerWaalsContact CG-CD1 3.41Å; Q979-L1018 HydrophobicContact CG-CD2 4.01Å; Q979-L1018 HydrophobicContact CG-CG 4.37Å |
| 980 | L | 79.8 | Confident | 74.7 | Confident | 12 Ų | 12 | 62.4 Ų | 62.4 | 6% | 0.063 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 174.7 | -70.9 | 173 | 0 | 0 | 0 | 110.8 | F931 Y976 T977 R982 K983 F984 L996 Y1000 | F931-L980 HydrophobicContact CD2-CB 3.86Å; F931-L980 HydrophobicContact CD2-CD1 4.4Å; F931-L980 HydrophobicContact CE2-CB 3.76Å; Y976-L980 HydrophobicContact CD1-CD1 3.59Å; Y976-L980 HydrophobicContact CD1-CG 3.92Å; Y976-L980 HydrophobicContact CE1-CD1 3.25Å; Y976-L980 HydrophobicContact CE1-CD2 3.98Å; Y976-L980 HydrophobicContact CE1-CG 3.6Å; Y976-L980 WeakPolarHBondContact O-CG 3.48Å; Y976-L980 PolarHBondContact O-N 3.07Å; T977-L980 PolarHBondContact O-N 2.95Å; L980-R982 VanDerWaalsContact C-N 3.29Å; L980-R982 PolarHBondContact O-N 2.84Å; L980-K983 PolarHBondContact O-N 3.2Å; L980-K983 VanDerWaalsContact O-N 3.13Å; L980-F984 HydrophobicContact CB-CD2 4.45Å; L980-F984 HydrophobicContact CD2-CE2 4.1Å; L980-F984 WeakPolarHBondContact O-CD2 3.25Å; L980-F984 PolarHBondContact O-N 3.43Å; L980-L996 HydrophobicContact CD1-CD1 4.42Å; L980-L996 HydrophobicContact CD1-CD2 3.66Å; L980-L996 HydrophobicContact CD1-CG 4.08Å; L980-L996 HydrophobicContact CD2-CD1 4.09Å; L980-L996 HydrophobicContact CD2-CG 4.13Å; L980-Y1000 HydrophobicContact CD1-CD2 3.65Å; L980-Y1000 HydrophobicContact CD1-CE2 3.45Å; L980-Y1000 VanDerWaalsContact CD1-CE2 3.45Å |
| 981 | V | 81.7 | Confident | 73.2 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -52.9 | -50.6 | 176.8 | 168.4 | 0 | 0 | 0 | 0 | 109.4 | F931 A934 L938 I939 T977 L978 K983 F984 A985 | F931-V981 HydrophobicContact CD2-CG2 3.91Å; F931-V981 HydrophobicContact CE2-CG2 3.99Å; A934-V981 HydrophobicContact CB-CG2 3.66Å; L938-V981 HydrophobicContact CB-CG1 4.38Å; I939-V981 HydrophobicContact CD1-CB 4.4Å; I939-V981 HydrophobicContact CD1-CG1 3.35Å; I939-V981 WeakPolarHBondContact CD1-O 3.5Å; I939-V981 HydrophobicContact CG1-CG1 3.61Å; T977-V981 HydrophobicContact CG2-CG2 4.24Å; T977-V981 WeakPolarHBondContact O-CB 3.24Å; T977-V981 WeakPolarHBondContact O-CG2 3.42Å; T977-V981 PolarHBondContact O-N 3.45Å; L978-V981 PolarHBondContact O-N 2.96Å; V981-K983 PolarHBondContact O-N 3.41Å; V981-F984 CarbonylContact O-C 3.4Å; V981-F984 PolarHBondContact O-N 3.46Å; V981-A985 PolarHBondContact O-N 2.91Å |
| 982 | R | 78.9 | Confident | 72 | Confident | 125 Ų | 125 | 66.9 Ų | 66.9 | 47% | 0.472 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 175.8 | -172.5 | 175.8 | -179.9 | 179.1 | 1.3 | 113 | L978 Q979 L980 F984 A985 L1018 | L978-R982 WeakPolarHBondContact O-CB 3.46Å; L978-R982 PolarHBondContact O-N 3.48Å; Q979-R982 PolarHBondContact O-N 3.45Å; L980-R982 VanDerWaalsContact C-N 3.29Å; L980-R982 PolarHBondContact O-N 2.84Å; R982-F984 PolarHBondContact O-N 2.94Å; R982-A985 WeakPolarHBondContact O-CB 3.41Å; R982-A985 PolarHBondContact O-N 2.77Å; R982-A985 VanDerWaalsContact O-N 3.12Å; R982-L1018 HydrophobicContact CB-CD2 4.06Å |
| 983 | K | 74.6 | Confident | 70.8 | Confident | 137 Ų | 137 | 61.6 Ų | 61.6 | 60% | 0.596 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.9 | -31.4 | 178.2 | -176.4 | 177.2 | 173.5 | 178.2 | 0 | 113 | Q979 L980 V981 | Q979-K983 WeakPolarHBondContact O-CB 3.47Å; Q979-K983 PolarHBondContact O-N 3.01Å; L980-K983 PolarHBondContact O-N 3.2Å; L980-K983 VanDerWaalsContact O-N 3.13Å; V981-K983 PolarHBondContact O-N 3.41Å |
| 984 | F | 70.1 | Confident | 69.6 | Low | 38 Ų | 38 | 63.2 Ų | 63.2 | 17% | 0.167 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -99.6 | 3.7 | 178.1 | -69.3 | -73 | 0 | 0 | 0 | 113.6 | F931 L980 V981 R982 P991 L996 | F931-F984 HydrophobicContact CE2-CD2 4.19Å; F931-F984 HydrophobicContact CZ-CB 4.25Å; F931-F984 AromaticContact CZ-CD2 3.99Å; F931-F984 HydrophobicContact CZ-CD2 3.99Å; F931-F984 HydrophobicContact CZ-CG 4.31Å; L980-F984 HydrophobicContact CB-CD2 4.45Å; L980-F984 HydrophobicContact CD2-CE2 4.1Å; L980-F984 WeakPolarHBondContact O-CD2 3.25Å; L980-F984 PolarHBondContact O-N 3.43Å; V981-F984 CarbonylContact O-C 3.4Å; V981-F984 PolarHBondContact O-N 3.46Å; R982-F984 PolarHBondContact O-N 2.94Å; F984-P991 HydrophobicContact CD1-CB 3.83Å; F984-P991 HydrophobicContact CD1-CG 4.44Å; F984-P991 HydrophobicContact CD2-CB 4.49Å; F984-P991 HydrophobicContact CE1-CB 3.57Å; F984-P991 HydrophobicContact CE2-CB 4.32Å; F984-P991 HydrophobicContact CG-CB 4.3Å; F984-P991 HydrophobicContact CZ-CB 3.84Å; F984-L996 HydrophobicContact CD2-CD1 3.87Å; F984-L996 HydrophobicContact CE2-CD1 3.18Å; F984-L996 HydrophobicContact CE2-CG 4.46Å; F984-L996 HydrophobicContact CZ-CD1 3.68Å |
| 985 | A | 67.3 | Low | 68.3 | Low | 41 Ų | 41 | 66.4 Ų | 66.4 | 34% | 0.339 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.2 | -39.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | I939 V981 R982 | I939-A985 HydrophobicContact CD1-CB 3.62Å; I939-A985 HydrophobicContact CG1-CB 4.08Å; I939-A985 HydrophobicContact CG2-CB 4.45Å; V981-A985 PolarHBondContact O-N 2.91Å; R982-A985 WeakPolarHBondContact O-CB 3.41Å; R982-A985 PolarHBondContact O-N 2.77Å; R982-A985 VanDerWaalsContact O-N 3.12Å |
| 986 | D | 56.8 | Low | 67.2 | Low | 141 Ų | 141 | 66.6 Ų | 66.6 | 75% | 0.754 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -77 | -21.6 | -176.7 | -64.3 | -27.1 | 0 | 0 | 0 | 113.5 | ||
| 987 | N | 50.1 | Low | 66.3 | Low | 83 Ų | 83 | 65.4 Ų | 65.4 | 44% | 0.444 | 34% | 0.336 | S | S | . | . | trans | -108.7 | 111.8 | -175.9 | -73.8 | -46.4 | 0 | 0 | 0 | 110.7 | N989 | N987-N989 PolarHBondContact O-N 3Š| ||
| 988 | N | 51.4 | Low | 65.2 | Low | 170 Ų | 170 | 70.8 Ų | 70.8 | 91% | 0.909 | 36% | 0.361 | S | S | * | . | trans | -63.3 | -0.8 | 168.5 | -86.1 | -18.4 | 0 | 0 | 0 | 113.7 | ||||
| 989 | N | 47.8 | Very low | 63.9 | Low | 122 Ų | 122 | 71.7 Ų | 71.7 | 65% | 0.652 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -72.7 | 132.3 | 176 | -70.8 | -14 | 0 | 0 | 0 | 110.2 | N987 P991 | N987-N989 PolarHBondContact O-N 3Å; N989-P991 WeakPolarHBondContact O-CD 3.21Å |
| 990 | Q | 52.9 | Low | 62.9 | Low | 171 Ų | 171 | 69.5 Ų | 69.5 | 80% | 0.799 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 122.6 | 165.6 | -78.7 | -177.9 | -21.2 | 0 | 0 | 108.1 | N992 | Q990-N992 PolarHBondContact O-N 2.83Š|
| 991 | P | 54.3 | Low | 62.2 | Low | 22 Ų | 22 | 72.1 Ų | 72.1 | 14% | 0.143 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 134.8 | 174.5 | 21.3 | -29.2 | 0 | 0 | 0 | 108.4 | F931 F984 N989 L993 L996 | F931-P991 HydrophobicContact CE1-CG 3.91Å; F931-P991 HydrophobicContact CZ-CG 4.22Å; F984-P991 HydrophobicContact CD1-CB 3.83Å; F984-P991 HydrophobicContact CD1-CG 4.44Å; F984-P991 HydrophobicContact CD2-CB 4.49Å; F984-P991 HydrophobicContact CE1-CB 3.57Å; F984-P991 HydrophobicContact CE2-CB 4.32Å; F984-P991 HydrophobicContact CG-CB 4.3Å; F984-P991 HydrophobicContact CZ-CB 3.84Å; N989-P991 WeakPolarHBondContact O-CD 3.21Å; P991-L993 PolarHBondContact O-N 3.31Å; P991-L996 HydrophobicContact CB-CD1 3.96Å |
| 992 | N | 59.3 | Low | 61.3 | Low | 107 Ų | 107 | 78.4 Ų | 78.4 | 57% | 0.572 | 41% | 0.406 | S | S | * | . | trans | -67.9 | 89 | 163.9 | -175.3 | -16.5 | 0 | 0 | 0 | 107.2 | Q990 H994 S995 L996 | Q990-N992 PolarHBondContact O-N 2.83Å; N992-H994 PolarHBondContact O-N 3.24Å; N992-H994 PolarHBondContact OD1-N 3.19Å; N992-S995 PolarHBondContact O-N 2.76Å; N992-S995 PolarHBondContact O-OG 3.13Å; N992-L996 PolarHBondContact O-N 3.13Å; N992-L996 VanDerWaalsContact O-N 3.13Å | ||
| 993 | L | 57.8 | Low | 60.3 | Low | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.2 | -29.3 | -170.1 | -159.1 | 84.6 | 0 | 0 | 0 | 111.7 | L855 L859 F931 P991 S995 L996 L997 | L855-L993 HydrophobicContact CD1-CD2 3.72Å; L855-L993 HydrophobicContact CD2-CD2 3.77Å; L855-L993 HydrophobicContact CG-CD2 4.03Å; L859-L993 HydrophobicContact CD1-CB 4.14Å; L859-L993 HydrophobicContact CD1-CD2 3.44Å; L859-L993 VanDerWaalsContact CD1-CD2 3.44Å; L859-L993 HydrophobicContact CD1-CG 4.4Å; L859-L993 HydrophobicContact CD2-CD2 4.17Å; L859-L993 HydrophobicContact CG-CD2 4.34Å; F931-L993 HydrophobicContact CD1-CD1 3.87Å; F931-L993 HydrophobicContact CE1-CD1 4.09Å; P991-L993 PolarHBondContact O-N 3.31Å; L993-S995 VanDerWaalsContact C-N 3.35Å; L993-S995 PolarHBondContact O-N 3.19Å; L993-L996 HydrophobicContact CD1-CD2 4.02Å; L993-L996 CarbonylContact O-C 3.56Å; L993-L996 WeakPolarHBondContact O-CA 3.38Å; L993-L996 WeakPolarHBondContact O-CB 3.38Å; L993-L996 PolarHBondContact O-N 3.41Å; L993-L996 VanDerWaalsContact O-N 3.08Å; L993-L997 HydrophobicContact CD2-CD1 3.9Å; L993-L997 HydrophobicContact CD2-CG 4.38Å; L993-L997 HydrophobicContact CG-CD1 4.12Å; L993-L997 HydrophobicContact CG-CG 4.16Å; L993-L997 WeakPolarHBondContact O-CB 3.32Å; L993-L997 VanDerWaalsContact O-CG 3.29Å; L993-L997 WeakPolarHBondContact O-CG 3.3Å; L993-L997 PolarHBondContact O-N 3.03Å |
| 994 | H | 59.5 | Low | 59.4 | Low | 53 Ų | 53 | 68.9 Ų | 68.9 | 25% | 0.245 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60 | -45.9 | 175.2 | -169.2 | 85.2 | 0 | 0 | 0 | 111.5 | M791 W861 N992 L996 L997 Q998 | M791-H994 PolarHBondContact O-ND1 3.38Å; W861-H994 HydrophobicContact CH2-CB 4.45Å; N992-H994 PolarHBondContact O-N 3.24Å; N992-H994 PolarHBondContact OD1-N 3.19Å; H994-L996 VanDerWaalsContact C-N 3.28Å; H994-L996 PolarHBondContact O-N 3.43Å; H994-L997 PolarHBondContact O-N 3.04Å; H994-Q998 PolarHBondContact NE2-NE2 2.91Å; H994-Q998 WeakPolarHBondContact O-CB 3.28Å; H994-Q998 WeakPolarHBondContact O-CG 3.48Å; H994-Q998 PolarHBondContact O-N 3.21Å |
| 995 | S | 62.7 | Low | 58.6 | Low | 68 Ų | 68 | 70.9 Ų | 70.9 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.4 | -32.6 | 173.8 | 71.8 | 0 | 0 | 0 | 0 | 112.7 | N992 L993 G999 | N992-S995 PolarHBondContact O-N 2.76Å; N992-S995 PolarHBondContact O-OG 3.13Å; L993-S995 VanDerWaalsContact C-N 3.35Å; L993-S995 PolarHBondContact O-N 3.19Å; S995-G999 PolarHBondContact O-N 3.19Å |
| 996 | L | 63.8 | Low | 58 | Low | 10 Ų | 10 | 75.6 Ų | 75.6 | 5% | 0.052 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -70.8 | -39.9 | 179.3 | -166.2 | 140.8 | 0 | 0 | 0 | 111.7 | F931 L980 F984 P991 N992 L993 H994 G999 Y1000 | F931-L996 HydrophobicContact CZ-CD1 4.37Å; L980-L996 HydrophobicContact CD1-CD1 4.42Å; L980-L996 HydrophobicContact CD1-CD2 3.66Å; L980-L996 HydrophobicContact CD1-CG 4.08Å; L980-L996 HydrophobicContact CD2-CD1 4.09Å; L980-L996 HydrophobicContact CD2-CG 4.13Å; F984-L996 HydrophobicContact CD2-CD1 3.87Å; F984-L996 HydrophobicContact CE2-CD1 3.18Å; F984-L996 HydrophobicContact CE2-CG 4.46Å; F984-L996 HydrophobicContact CZ-CD1 3.68Å; P991-L996 HydrophobicContact CB-CD1 3.96Å; N992-L996 PolarHBondContact O-N 3.13Å; N992-L996 VanDerWaalsContact O-N 3.13Å; L993-L996 HydrophobicContact CD1-CD2 4.02Å; L993-L996 CarbonylContact O-C 3.56Å; L993-L996 WeakPolarHBondContact O-CA 3.38Å; L993-L996 WeakPolarHBondContact O-CB 3.38Å; L993-L996 PolarHBondContact O-N 3.41Å; L993-L996 VanDerWaalsContact O-N 3.08Å; H994-L996 VanDerWaalsContact C-N 3.28Å; H994-L996 PolarHBondContact O-N 3.43Å; L996-G999 PolarHBondContact O-N 3.42Å; L996-Y1000 HydrophobicContact CD2-CD2 4.42Å; L996-Y1000 WeakPolarHBondContact O-CB 3.4Å; L996-Y1000 PolarHBondContact O-N 3.29Å |
| 997 | L | 66 | Low | 57.9 | Low | 9 Ų | 9 | 77.6 Ų | 77.6 | 5% | 0.047 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -74.6 | -40.6 | 178 | -68.9 | 174.2 | 0 | 0 | 0 | 112.5 | M791 L855 S924 I927 L993 H994 G999 Y1000 H1001 | M791-L997 HydrophobicContact CE-CD1 3.1Å; L855-L997 HydrophobicContact CD2-CD1 4.06Å; S924-L997 WeakPolarHBondContact O-CD2 3.49Å; I927-L997 HydrophobicContact CB-CD2 4.13Å; I927-L997 HydrophobicContact CG2-CD2 3.85Å; L993-L997 HydrophobicContact CD2-CD1 3.9Å; L993-L997 HydrophobicContact CD2-CG 4.38Å; L993-L997 HydrophobicContact CG-CD1 4.12Å; L993-L997 HydrophobicContact CG-CG 4.16Å; L993-L997 WeakPolarHBondContact O-CB 3.32Å; L993-L997 VanDerWaalsContact O-CG 3.29Å; L993-L997 WeakPolarHBondContact O-CG 3.3Å; L993-L997 PolarHBondContact O-N 3.03Å; H994-L997 PolarHBondContact O-N 3.04Å; L997-G999 VanDerWaalsContact C-N 3.3Å; L997-Y1000 WeakPolarHBondContact O-CB 3.22Å; L997-Y1000 PolarHBondContact O-N 3.23Å; L997-H1001 PolarHBondContact O-N 2.84Å |
| 998 | Q | 63.8 | Low | 58.2 | Low | 114 Ų | 114 | 75 Ų | 75 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 169.7 | -74.5 | -172.5 | -8.2 | 0 | 0 | 111.5 | H994 N1002 | H994-Q998 PolarHBondContact NE2-NE2 2.91Å; H994-Q998 WeakPolarHBondContact O-CB 3.28Å; H994-Q998 WeakPolarHBondContact O-CG 3.48Å; H994-Q998 PolarHBondContact O-N 3.21Å; Q998-N1002 PolarHBondContact O-ND2 3.37Å |
| 999 | G | 59.5 | Low | 58.7 | Low | 26 Ų | 26 | 68.2 Ų | 68.2 | 27% | 0.268 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S995 L996 L997 H1001 N1002 S1003 | S995-G999 PolarHBondContact O-N 3.19Å; L996-G999 PolarHBondContact O-N 3.42Å; L997-G999 VanDerWaalsContact C-N 3.3Å; G999-H1001 PolarHBondContact O-N 3.31Å; G999-N1002 PolarHBondContact O-N 3.02Å; G999-N1002 VanDerWaalsContact O-N 3.09Å; G999-S1003 PolarHBondContact O-N 3.27Å; G999-S1003 PolarHBondContact O-OG 3.46Å |
| 1000 | Y | 63.8 | Low | 59.6 | Low | 1 Ų | 1 | 67 Ų | 67 | 0% | 0.004 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -51.3 | -55 | -176.8 | -140.8 | -70.8 | 0 | 0 | 0 | 111.7 | I927 Y973 Y976 T977 L980 L996 L997 N1002 S1003 I1004 | I927-Y1000 HydrophobicContact CD1-CD1 3.79Å; I927-Y1000 HydrophobicContact CD1-CE1 4.1Å; I927-Y1000 HydrophobicContact CD1-CG 4.2Å; I927-Y1000 HydrophobicContact CG1-CD1 4.44Å; I927-Y1000 HydrophobicContact CG1-CE1 4.33Å; I927-Y1000 HydrophobicContact CG2-CD1 3.89Å; I927-Y1000 HydrophobicContact CG2-CD2 3.16Å; I927-Y1000 HydrophobicContact CG2-CE1 3.88Å; I927-Y1000 HydrophobicContact CG2-CE2 3.1Å; I927-Y1000 HydrophobicContact CG2-CG 3.55Å; I927-Y1000 VanDerWaalsContact CG2-CZ 3.48Å; Y973-Y1000 HydrophobicContact CD1-CD1 4.3Å; Y973-Y1000 AromaticContact CD1-CE1 3.52Å; Y973-Y1000 HydrophobicContact CD1-CE1 3.52Å; Y973-Y1000 HydrophobicContact CE1-CD1 4.44Å; Y973-Y1000 HydrophobicContact CE1-CE1 4.08Å; Y973-Y1000 HydrophobicContact CG-CE1 4.49Å; Y973-Y1000 PolarHBondContact O-OH 2.89Å; Y976-Y1000 AromaticContact CD1-CD1 3.96Å; Y976-Y1000 HydrophobicContact CD1-CD1 3.96Å; Y976-Y1000 AromaticContact CD1-CD2 3.59Å; Y976-Y1000 HydrophobicContact CD1-CD2 3.59Å; Y976-Y1000 AromaticContact CD1-CE1 3.61Å; Y976-Y1000 HydrophobicContact CD1-CE1 3.61Å; Y976-Y1000 AromaticContact CD1-CE2 3.24Å; Y976-Y1000 HydrophobicContact CD1-CE2 3.24Å; Y976-Y1000 AromaticContact CD1-CG 3.96Å; Y976-Y1000 HydrophobicContact CD1-CG 3.96Å; Y976-Y1000 AromaticContact CD1-CZ 3.25Å; Y976-Y1000 HydrophobicContact CE1-CD1 4.02Å; Y976-Y1000 AromaticContact CE1-CD2 3.28Å; Y976-Y1000 HydrophobicContact CE1-CD2 3.28Å; Y976-Y1000 HydrophobicContact CE1-CE1 4.13Å; Y976-Y1000 AromaticContact CE1-CE2 3.47Å; Y976-Y1000 HydrophobicContact CE1-CE2 3.47Å; Y976-Y1000 VanDerWaalsContact CE1-CE2 3.47Å; Y976-Y1000 AromaticContact CE1-CG 3.6Å; Y976-Y1000 HydrophobicContact CE1-CG 3.6Å; Y976-Y1000 AromaticContact CE1-CZ 3.89Å; Y976-Y1000 HydrophobicContact CG-CE1 4.33Å; Y976-Y1000 HydrophobicContact CG-CE2 4.49Å; T977-Y1000 PolarHBondContact N-OH 3.39Å; T977-Y1000 PolarHBondContact OG1-OH 3.36Å; L980-Y1000 HydrophobicContact CD1-CD2 3.65Å; L980-Y1000 HydrophobicContact CD1-CE2 3.45Å; L980-Y1000 VanDerWaalsContact CD1-CE2 3.45Å; L996-Y1000 HydrophobicContact CD2-CD2 4.42Å; L996-Y1000 WeakPolarHBondContact O-CB 3.4Å; L996-Y1000 PolarHBondContact O-N 3.29Å; L997-Y1000 WeakPolarHBondContact O-CB 3.22Å; L997-Y1000 PolarHBondContact O-N 3.23Å; Y1000-N1002 VanDerWaalsContact C-N 3.3Å; Y1000-N1002 PolarHBondContact O-N 3.11Å; Y1000-S1003 PolarHBondContact O-N 3.5Å; Y1000-S1003 VanDerWaalsContact O-N 3.16Å; Y1000-S1003 PolarHBondContact O-OG 2.93Å; Y1000-S1003 VanDerWaalsContact O-OG 3.12Å; Y1000-I1004 HydrophobicContact CD1-CD1 4.06Å; Y1000-I1004 HydrophobicContact CD1-CG1 4.06Å; Y1000-I1004 HydrophobicContact CE1-CG1 4.4Å; Y1000-I1004 VanDerWaalsContact O-CG1 3.25Å; Y1000-I1004 WeakPolarHBondContact O-CG1 3.29Å; Y1000-I1004 PolarHBondContact O-N 2.77Å |
| 1001 | H | 64.4 | Low | 60.9 | Low | 68 Ų | 68 | 62.1 Ų | 62.1 | 32% | 0.315 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.3 | -35.9 | -179.5 | -73.4 | -64.1 | 0 | 0 | 0 | 113.5 | S924 L997 G999 S1003 | S924-H1001 PolarHBondContact OG-NE2 3.17Å; L997-H1001 PolarHBondContact O-N 2.84Å; G999-H1001 PolarHBondContact O-N 3.31Å; H1001-S1003 VanDerWaalsContact C-N 3.35Å |
| 1002 | N | 62.2 | Low | 62.4 | Low | 138 Ų | 138 | 63.8 Ų | 63.8 | 74% | 0.738 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -74.2 | -24.2 | 179.4 | -69.5 | -31.6 | 0 | 0 | 0 | 113.2 | Q998 G999 Y1000 | Q998-N1002 PolarHBondContact O-ND2 3.37Å; G999-N1002 PolarHBondContact O-N 3.02Å; G999-N1002 VanDerWaalsContact O-N 3.09Å; Y1000-N1002 VanDerWaalsContact C-N 3.3Å; Y1000-N1002 PolarHBondContact O-N 3.11Å |
| 1003 | S | 58.8 | Low | 63.6 | Low | 16 Ų | 16 | 63.5 Ų | 63.5 | 11% | 0.112 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -98.7 | -8.5 | -175.6 | 44 | 0 | 0 | 0 | 0 | 115.8 | Y976 G999 Y1000 H1001 G1005 Q1006 | Y976-S1003 WeakPolarHBondContact CE2-OG 3.18Å; Y976-S1003 PolarHBondContact OH-OG 2.83Å; G999-S1003 PolarHBondContact O-N 3.27Å; G999-S1003 PolarHBondContact O-OG 3.46Å; Y1000-S1003 PolarHBondContact O-N 3.5Å; Y1000-S1003 VanDerWaalsContact O-N 3.16Å; Y1000-S1003 PolarHBondContact O-OG 2.93Å; Y1000-S1003 VanDerWaalsContact O-OG 3.12Å; H1001-S1003 VanDerWaalsContact C-N 3.35Å; S1003-G1005 PolarHBondContact O-N 3.07Å; S1003-Q1006 PolarHBondContact O-N 3.37Å |
| 1004 | I | 54.1 | Low | 64.9 | Low | 47 Ų | 47 | 67.1 Ų | 67.1 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -17.1 | -176.1 | -73.5 | 155.7 | 0 | 0 | 0 | 113.8 | Y973 Y1000 | Y973-I1004 HydrophobicContact CD1-CD1 4.42Å; Y973-I1004 HydrophobicContact CE1-CD1 3.47Å; Y973-I1004 VanDerWaalsContact CE1-CD1 3.47Å; Y973-I1004 HydrophobicContact CE1-CG1 4.01Å; Y1000-I1004 HydrophobicContact CD1-CD1 4.06Å; Y1000-I1004 HydrophobicContact CD1-CG1 4.06Å; Y1000-I1004 HydrophobicContact CE1-CG1 4.4Å; Y1000-I1004 VanDerWaalsContact O-CG1 3.25Å; Y1000-I1004 WeakPolarHBondContact O-CG1 3.29Å; Y1000-I1004 PolarHBondContact O-N 2.77Å |
| 1005 | G | 53.8 | Low | 66.2 | Low | 80 Ų | 80 | 65.7 Ų | 65.7 | 83% | 0.825 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -6.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | S1003 | S1003-G1005 PolarHBondContact O-N 3.07Š|
| 1006 | Q | 56.1 | Low | 67.5 | Low | 140 Ų | 140 | 63.6 Ų | 63.6 | 65% | 0.654 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -88.9 | 135.7 | -179.5 | -67 | -178.6 | -8.6 | 0 | 0 | 109.6 | S1003 C1008 | S1003-Q1006 PolarHBondContact O-N 3.37Å; Q1006-C1008 PolarHBondContact O-N 2.89Å |
| 1007 | Q | 54.3 | Low | 68.5 | Low | 182 Ų | 182 | 67.5 Ų | 67.5 | 85% | 0.85 | 38% | 0.38 | S | S | * | . | trans | -52.9 | 111.9 | 169.2 | -81.7 | -178.6 | -26.5 | 0 | 0 | 108.4 | C1009 | Q1007-C1009 PolarHBondContact O-N 2.94Š| ||
| 1008 | C | 56.7 | Low | 69.6 | Low | 30 Ų | 30 | 67.7 Ų | 67.7 | 20% | 0.203 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -59.7 | -47.8 | -175.8 | -91.8 | 0 | 0 | 0 | 0 | 111.3 | Q979 Q1006 | Q979-C1008 PolarHBondContact NE2-O 3.18Å; Q1006-C1008 PolarHBondContact O-N 2.89Å |
| 1009 | C | 61.4 | Low | 70.9 | Confident | 26 Ų | 26 | 62.2 Ų | 62.2 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | trans | -106.6 | 133.7 | -175.6 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | Q979 Q1007 E1014 L1015 | Q979-C1009 PolarHBondContact NE2-SG 3.49Å; Q1007-C1009 PolarHBondContact O-N 2.94Å; C1009-E1014 HydrophobicContact CB-CB 4.39Å; C1009-L1015 HydrophobicContact CB-CB 4.09Å | ||
| 1010 | S | 65.5 | Low | 72.3 | Confident | 98 Ų | 98 | 62.7 Ų | 62.7 | 69% | 0.685 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -84.9 | -25.1 | 177.5 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | E1014 | S1010-E1014 PolarHBondContact N-OE2 2.94Å; S1010-E1014 VanDerWaalsContact OG-CD 3.3Å; S1010-E1014 PolarHBondContact OG-OE1 2.65Å; S1010-E1014 PolarHBondContact OG-OE2 2.9Å |
| 1011 | T | 81.7 | Confident | 73.5 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -134.7 | 156.2 | -178.7 | 63 | 0 | 0 | 0 | 0 | 111.9 | D1013 E1014 L1015 | T1011-D1013 VanDerWaalsContact C-N 3.28Å; T1011-D1013 PolarHBondContact O-N 2.73Å; T1011-E1014 PolarHBondContact N-OE2 3.32Å; T1011-E1014 PolarHBondContact O-N 2.7Å; T1011-E1014 VanDerWaalsContact OG1-CG 3.29Å; T1011-E1014 WeakPolarHBondContact OG1-CG 3.28Å; T1011-E1014 PolarHBondContact OG1-N 2.91Å; T1011-L1015 PolarHBondContact O-N 3.26Å |
| 1012 | L | 84.8 | Confident | 74.8 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 30% | 0.298 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.5 | -36 | 174.7 | -174.2 | 68 | 0 | 0 | 0 | 111.9 | L1015 R1016 Q1055 | L1012-L1015 WeakPolarHBondContact O-CB 3.43Å; L1012-L1015 PolarHBondContact O-N 2.84Å; L1012-R1016 HydrophobicContact CG-CG 4.44Å; L1012-R1016 WeakPolarHBondContact O-CG 3.29Å; L1012-R1016 PolarHBondContact O-N 3.4Å; L1012-Q1055 HydrophobicContact CD2-CB 3.51Å |
| 1013 | D | 84.7 | Confident | 76.2 | Confident | 100 Ų | 100 | 54.7 Ų | 54.7 | 54% | 0.535 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.4 | -36.5 | 179.7 | -64.7 | -33.5 | 0 | 0 | 0 | 112.5 | T1011 L1015 R1016 N1017 | T1011-D1013 VanDerWaalsContact C-N 3.28Å; T1011-D1013 PolarHBondContact O-N 2.73Å; D1013-L1015 VanDerWaalsContact C-N 3.32Å; D1013-R1016 PolarHBondContact O-N 2.91Å; D1013-N1017 WeakPolarHBondContact O-CB 3.36Å; D1013-N1017 VanDerWaalsContact O-CG 3.29Å; D1013-N1017 PolarHBondContact O-N 3.47Å; D1013-N1017 PolarHBondContact O-ND2 2.9Å |
| 1014 | E | 84.6 | Confident | 77.6 | Confident | 79 Ų | 79 | 55.1 Ų | 55.1 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 171.2 | -79.2 | 172.9 | 174.1 | 0 | 0 | 111.5 | C1009 S1010 T1011 N1017 L1018 | C1009-E1014 HydrophobicContact CB-CB 4.39Å; S1010-E1014 PolarHBondContact N-OE2 2.94Å; S1010-E1014 VanDerWaalsContact OG-CD 3.3Å; S1010-E1014 PolarHBondContact OG-OE1 2.65Å; S1010-E1014 PolarHBondContact OG-OE2 2.9Å; T1011-E1014 PolarHBondContact N-OE2 3.32Å; T1011-E1014 PolarHBondContact O-N 2.7Å; T1011-E1014 VanDerWaalsContact OG1-CG 3.29Å; T1011-E1014 WeakPolarHBondContact OG1-CG 3.28Å; T1011-E1014 PolarHBondContact OG1-N 2.91Å; E1014-N1017 PolarHBondContact O-N 2.89Å; E1014-L1018 WeakPolarHBondContact O-CG 3.31Å; E1014-L1018 PolarHBondContact O-N 3.2Å |
| 1015 | L | 86.8 | Confident | 79.3 | Confident | 23 Ų | 23 | 54 Ų | 54 | 12% | 0.12 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.7 | -47.9 | 178 | -178.2 | 62.5 | 0 | 0 | 0 | 111.4 | T975 C1009 T1011 L1012 D1013 N1017 L1018 L1019 Q1052 | T975-L1015 HydrophobicContact CG2-CD1 4.17Å; C1009-L1015 HydrophobicContact CB-CB 4.09Å; T1011-L1015 PolarHBondContact O-N 3.26Å; L1012-L1015 WeakPolarHBondContact O-CB 3.43Å; L1012-L1015 PolarHBondContact O-N 2.84Å; D1013-L1015 VanDerWaalsContact C-N 3.32Å; L1015-N1017 VanDerWaalsContact C-N 3.28Å; L1015-N1017 PolarHBondContact O-N 3.05Å; L1015-L1018 WeakPolarHBondContact O-CB 3.39Å; L1015-L1018 PolarHBondContact O-N 3.35Å; L1015-L1019 HydrophobicContact CD1-CD1 3.86Å; L1015-L1019 HydrophobicContact CD1-CG 4.08Å; L1015-L1019 HydrophobicContact CD2-CD1 4.41Å; L1015-L1019 HydrophobicContact CG-CD1 3.75Å; L1015-L1019 HydrophobicContact CG-CG 4.32Å; L1015-L1019 VanDerWaalsContact O-CG 3.32Å; L1015-L1019 WeakPolarHBondContact O-CG 3.32Å; L1015-L1019 PolarHBondContact O-N 3.47Å; L1015-Q1052 VanDerWaalsContact CD2-O 3.22Å; L1015-Q1052 WeakPolarHBondContact CD2-O 3.36Å |
| 1016 | R | 89.7 | Confident | 81.1 | Confident | 24 Ų | 24 | 50.1 Ų | 50.1 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.7 | -43.8 | 176.7 | -74.6 | 176.3 | 170.2 | -179.7 | -9.5 | 112 | L1012 D1013 L1018 L1019 S1020 G1053 D1077 W1079 | L1012-R1016 HydrophobicContact CG-CG 4.44Å; L1012-R1016 WeakPolarHBondContact O-CG 3.29Å; L1012-R1016 PolarHBondContact O-N 3.4Å; D1013-R1016 PolarHBondContact O-N 2.91Å; R1016-L1018 VanDerWaalsContact C-N 3.29Å; R1016-L1018 PolarHBondContact O-N 2.7Å; R1016-L1019 PolarHBondContact O-N 2.94Å; R1016-S1020 PolarHBondContact O-N 2.93Å; R1016-G1053 PolarHBondContact NE-O 3.44Å; R1016-G1053 PolarHBondContact NH2-O 2.91Å; R1016-D1077 IonicContact NH2-OD1 3.08Å; R1016-W1079 HydrophobicContact CB-CD2 4.49Å; R1016-W1079 HydrophobicContact CB-CE3 3.71Å; R1016-W1079 HydrophobicContact CB-CH2 4.3Å; R1016-W1079 HydrophobicContact CB-CZ3 3.6Å; R1016-W1079 HydrophobicContact CG-CD2 3.83Å; R1016-W1079 HydrophobicContact CG-CE3 3.53Å; R1016-W1079 HydrophobicContact CG-CG 4.43Å; R1016-W1079 HydrophobicContact CG-CH2 4.35Å; R1016-W1079 HydrophobicContact CG-CZ3 3.82Å; R1016-W1079 WeakPolarHBondContact O-CZ3 3.38Å |
| 1017 | N | 86.7 | Confident | 82.6 | Confident | 92 Ų | 92 | 45.2 Ų | 45.2 | 49% | 0.492 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.3 | -27.7 | 177.8 | -76.2 | -46.5 | 0 | 0 | 0 | 114 | D1013 E1014 L1015 S1020 | D1013-N1017 WeakPolarHBondContact O-CB 3.36Å; D1013-N1017 VanDerWaalsContact O-CG 3.29Å; D1013-N1017 PolarHBondContact O-N 3.47Å; D1013-N1017 PolarHBondContact O-ND2 2.9Å; E1014-N1017 PolarHBondContact O-N 2.89Å; L1015-N1017 VanDerWaalsContact C-N 3.28Å; L1015-N1017 PolarHBondContact O-N 3.05Å; N1017-S1020 PolarHBondContact O-OG 3.49Å |
| 1018 | L | 87.5 | Confident | 84 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -78.3 | -38 | 175.4 | -68.6 | 163.5 | 0 | 0 | 0 | 111.3 | L978 Q979 R982 E1014 L1015 R1016 P1022 | L978-L1018 HydrophobicContact CB-CB 4.21Å; L978-L1018 HydrophobicContact CB-CD2 4.17Å; L978-L1018 HydrophobicContact CD1-CB 4.36Å; Q979-L1018 HydrophobicContact CG-CD1 3.41Å; Q979-L1018 VanDerWaalsContact CG-CD1 3.41Å; Q979-L1018 HydrophobicContact CG-CD2 4.01Å; Q979-L1018 HydrophobicContact CG-CG 4.37Å; R982-L1018 HydrophobicContact CB-CD2 4.06Å; E1014-L1018 WeakPolarHBondContact O-CG 3.31Å; E1014-L1018 PolarHBondContact O-N 3.2Å; L1015-L1018 WeakPolarHBondContact O-CB 3.39Å; L1015-L1018 PolarHBondContact O-N 3.35Å; R1016-L1018 VanDerWaalsContact C-N 3.29Å; R1016-L1018 PolarHBondContact O-N 2.7Å; L1018-P1022 WeakPolarHBondContact O-CD 3.26Å |
| 1019 | L | 91.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -79.4 | -23.1 | -175.6 | -63.6 | 177.3 | 0 | 0 | 0 | 113.4 | W971 F974 L978 L1015 R1016 S1021 P1022 I1023 C1049 Q1052 W1079 | W971-L1019 HydrophobicContact CH2-CD1 4.21Å; W971-L1019 HydrophobicContact CH2-CD2 3.68Å; W971-L1019 HydrophobicContact CZ2-CD1 4.31Å; W971-L1019 HydrophobicContact CZ2-CD2 4.16Å; F974-L1019 HydrophobicContact CE1-CD2 3.82Å; L978-L1019 HydrophobicContact CD1-CD2 3.97Å; L1015-L1019 HydrophobicContact CD1-CD1 3.86Å; L1015-L1019 HydrophobicContact CD1-CG 4.08Å; L1015-L1019 HydrophobicContact CD2-CD1 4.41Å; L1015-L1019 HydrophobicContact CG-CD1 3.75Å; L1015-L1019 HydrophobicContact CG-CG 4.32Å; L1015-L1019 VanDerWaalsContact O-CG 3.32Å; L1015-L1019 WeakPolarHBondContact O-CG 3.32Å; L1015-L1019 PolarHBondContact O-N 3.47Å; R1016-L1019 PolarHBondContact O-N 2.94Å; L1019-S1021 VanDerWaalsContact C-N 3.31Å; L1019-S1021 PolarHBondContact O-N 2.94Å; L1019-P1022 VanDerWaalsContact O-CD 3.26Å; L1019-P1022 WeakPolarHBondContact O-CD 3.46Å; L1019-P1022 VanDerWaalsContact O-CG 3.31Å; L1019-P1022 WeakPolarHBondContact O-CG 3.22Å; L1019-I1023 HydrophobicContact CB-CD1 4.3Å; L1019-I1023 WeakPolarHBondContact O-CD1 3.4Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.41Å; L1019-I1023 PolarHBondContact O-N 3.48Å; L1019-C1049 WeakPolarHBondContact CD1-O 3.4Å; L1019-C1049 HydrophobicContact CD2-CB 4.14Å; L1019-Q1052 HydrophobicContact CD1-CB 4.2Å; L1019-W1079 HydrophobicContact CB-CH2 3.91Å; L1019-W1079 HydrophobicContact CB-CZ2 4.46Å |
| 1020 | S | 89.7 | Confident | 86.3 | Confident | 35 Ų | 35 | 36.2 Ų | 36.2 | 25% | 0.245 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.1 | -39.8 | 177.6 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | R1016 N1017 G1024 | R1016-S1020 PolarHBondContact O-N 2.93Å; N1017-S1020 PolarHBondContact O-OG 3.49Å; S1020-G1024 PolarHBondContact O-N 3.19Å |
| 1021 | S | 88.5 | Confident | 87 | Confident | 40 Ų | 40 | 37.7 Ų | 37.7 | 28% | 0.28 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.7 | -58.9 | 179.7 | 178.6 | 0 | 0 | 0 | 0 | 112.8 | L1019 I1023 G1024 R1025 | L1019-S1021 VanDerWaalsContact C-N 3.31Å; L1019-S1021 PolarHBondContact O-N 2.94Å; S1021-I1023 PolarHBondContact O-N 3.1Å; S1021-G1024 PolarHBondContact O-N 3.41Å; S1021-R1025 VanDerWaalsContact O-CG 3.3Å; S1021-R1025 WeakPolarHBondContact O-CG 3.4Å; S1021-R1025 PolarHBondContact O-N 2.82Å |
| 1022 | P | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 179.3 | 24 | -33.9 | 0 | 0 | 0 | 113 | L938 F974 L978 L1018 L1019 G1024 R1025 W1026 | L938-P1022 HydrophobicContact CD2-CB 4.19Å; F974-P1022 HydrophobicContact CZ-CB 3.99Å; F974-P1022 HydrophobicContact CZ-CG 3.85Å; L978-P1022 HydrophobicContact CD1-CG 3.99Å; L978-P1022 HydrophobicContact CD2-CG 4.04Å; L1018-P1022 WeakPolarHBondContact O-CD 3.26Å; L1019-P1022 VanDerWaalsContact O-CD 3.26Å; L1019-P1022 WeakPolarHBondContact O-CD 3.46Å; L1019-P1022 VanDerWaalsContact O-CG 3.31Å; L1019-P1022 WeakPolarHBondContact O-CG 3.22Å; P1022-G1024 PolarHBondContact O-N 2.96Å; P1022-R1025 PolarHBondContact O-N 3.07Å; P1022-W1026 HydrophobicContact CB-CE3 4.29Å; P1022-W1026 HydrophobicContact CB-CH2 4.03Å; P1022-W1026 HydrophobicContact CB-CZ2 4.31Å; P1022-W1026 HydrophobicContact CB-CZ3 4.03Å; P1022-W1026 WeakPolarHBondContact O-CB 3.24Å; P1022-W1026 PolarHBondContact O-N 2.97Å |
| 1023 | I | 91.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 177.9 | -63 | 169.2 | 0 | 0 | 0 | 110.3 | L1019 S1021 R1025 W1026 L1027 C1049 W1079 W1083 V1087 | L1019-I1023 HydrophobicContact CB-CD1 4.3Å; L1019-I1023 WeakPolarHBondContact O-CD1 3.4Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.41Å; L1019-I1023 PolarHBondContact O-N 3.48Å; S1021-I1023 PolarHBondContact O-N 3.1Å; I1023-R1025 VanDerWaalsContact C-N 3.34Å; I1023-R1025 PolarHBondContact O-N 2.99Å; I1023-W1026 PolarHBondContact O-N 3.11Å; I1023-L1027 HydrophobicContact CG2-CD1 3.73Å; I1023-L1027 HydrophobicContact CG2-CG 4.37Å; I1023-L1027 WeakPolarHBondContact O-CB 3.48Å; I1023-L1027 WeakPolarHBondContact O-CG 3.47Å; I1023-L1027 PolarHBondContact O-N 3.3Å; I1023-C1049 HydrophobicContact CD1-CB 3.79Å; I1023-C1049 HydrophobicContact CG1-CB 3.79Å; I1023-W1079 HydrophobicContact CD1-CH2 4.08Å; I1023-W1079 HydrophobicContact CD1-CZ2 4.1Å; I1023-W1083 HydrophobicContact CB-CE3 4.23Å; I1023-W1083 HydrophobicContact CB-CH2 4.41Å; I1023-W1083 HydrophobicContact CB-CZ3 4.16Å; I1023-W1083 HydrophobicContact CG2-CD2 3.87Å; I1023-W1083 HydrophobicContact CG2-CE3 3.31Å; I1023-W1083 HydrophobicContact CG2-CH2 4.26Å; I1023-W1083 HydrophobicContact CG2-CZ3 3.54Å; I1023-V1087 HydrophobicContact CG2-CG2 4.45Å |
| 1024 | G | 89.2 | Confident | 86 | Confident | 24 Ų | 24 | 34.7 Ų | 34.7 | 25% | 0.247 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1020 S1021 P1022 G1028 | S1020-G1024 PolarHBondContact O-N 3.19Å; S1021-G1024 PolarHBondContact O-N 3.41Å; P1022-G1024 PolarHBondContact O-N 2.96Å; G1024-G1028 PolarHBondContact O-N 3.27Å |
| 1025 | R | 88.5 | Confident | 85.7 | Confident | 23 Ų | 23 | 31.7 Ų | 31.7 | 9% | 0.087 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.2 | -38.8 | 179.1 | -64.5 | -47.9 | -177.9 | 129.5 | 2.2 | 113.9 | L938 A941 P942 E943 L958 S1021 P1022 I1023 R1029 | L938-R1025 HydrophobicContact CD2-CB 4.24Å; L938-R1025 HydrophobicContact CD2-CG 3.88Å; L938-R1025 PolarHBondContact O-NH2 2.79Å; A941-R1025 PolarHBondContact O-NH1 2.77Å; A941-R1025 PolarHBondContact O-NH2 3.3Å; P942-R1025 PolarHBondContact O-NH1 2.88Å; E943-R1025 VanDerWaalsContact N-NH1 3.14Å; L958-R1025 HydrophobicContact CD1-CB 4.42Å; L958-R1025 HydrophobicContact CD2-CB 3.74Å; S1021-R1025 VanDerWaalsContact O-CG 3.3Å; S1021-R1025 WeakPolarHBondContact O-CG 3.4Å; S1021-R1025 PolarHBondContact O-N 2.82Å; P1022-R1025 PolarHBondContact O-N 3.07Å; I1023-R1025 VanDerWaalsContact C-N 3.34Å; I1023-R1025 PolarHBondContact O-N 2.99Å; R1025-R1029 WeakPolarHBondContact O-CB 3.44Å; R1025-R1029 WeakPolarHBondContact O-CG 3.46Å; R1025-R1029 PolarHBondContact O-N 3.21Å |
| 1026 | W | 91.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -49.6 | 175.1 | -79.6 | -30 | 0 | 0 | 0 | 111.6 | L958 L961 V965 F974 P1022 I1023 G1028 R1029 V1030 I1042 A1045 A1046 C1049 | L958-W1026 PolarHBondContact O-NE1 3.45Å; L961-W1026 HydrophobicContact CB-CZ2 3.92Å; V965-W1026 HydrophobicContact CG2-CH2 3.98Å; F974-W1026 AromaticContact CE2-CH2 3.96Å; F974-W1026 HydrophobicContact CE2-CH2 3.96Å; F974-W1026 HydrophobicContact CE2-CZ2 4.32Å; F974-W1026 AromaticContact CZ-CH2 3.68Å; F974-W1026 HydrophobicContact CZ-CH2 3.68Å; F974-W1026 HydrophobicContact CZ-CZ2 4.45Å; F974-W1026 HydrophobicContact CZ-CZ3 4.44Å; P1022-W1026 HydrophobicContact CB-CE3 4.29Å; P1022-W1026 HydrophobicContact CB-CH2 4.03Å; P1022-W1026 HydrophobicContact CB-CZ2 4.31Å; P1022-W1026 HydrophobicContact CB-CZ3 4.03Å; P1022-W1026 WeakPolarHBondContact O-CB 3.24Å; P1022-W1026 PolarHBondContact O-N 2.97Å; I1023-W1026 PolarHBondContact O-N 3.11Å; W1026-G1028 VanDerWaalsContact C-N 3.29Å; W1026-G1028 PolarHBondContact O-N 3.44Å; W1026-R1029 PolarHBondContact O-N 2.92Å; W1026-R1029 VanDerWaalsContact O-N 3.16Å; W1026-V1030 WeakPolarHBondContact O-CB 2.99Å; W1026-V1030 PolarHBondContact O-N 3.33Å; W1026-I1042 HydrophobicContact CB-CG2 3.51Å; W1026-I1042 HydrophobicContact CD2-CG2 4.45Å; W1026-I1042 HydrophobicContact CG-CG1 4.37Å; W1026-I1042 HydrophobicContact CG-CG2 3.71Å; W1026-A1045 HydrophobicContact CE3-CB 4.31Å; W1026-A1045 HydrophobicContact CH2-CB 3.69Å; W1026-A1045 HydrophobicContact CZ2-CB 4.04Å; W1026-A1045 HydrophobicContact CZ3-CB 3.83Å; W1026-A1046 HydrophobicContact CE3-CB 4.4Å; W1026-C1049 HydrophobicContact CZ3-CB 4.45Å |
| 1027 | L | 88.1 | Confident | 85 | Confident | 37 Ų | 37 | 30.7 Ų | 30.7 | 19% | 0.194 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.6 | -37.6 | 177.7 | -69.7 | 170.2 | 0 | 0 | 0 | 111.9 | I1023 R1029 W1083 P1086 L1090 | I1023-L1027 HydrophobicContact CG2-CD1 3.73Å; I1023-L1027 HydrophobicContact CG2-CG 4.37Å; I1023-L1027 WeakPolarHBondContact O-CB 3.48Å; I1023-L1027 WeakPolarHBondContact O-CG 3.47Å; I1023-L1027 PolarHBondContact O-N 3.3Å; L1027-R1029 VanDerWaalsContact C-N 3.27Å; L1027-R1029 PolarHBondContact O-N 2.87Å; L1027-W1083 HydrophobicContact CD1-CE3 3.96Å; L1027-W1083 HydrophobicContact CD1-CZ3 3.94Å; L1027-P1086 HydrophobicContact CD1-CB 3.68Å; L1027-P1086 HydrophobicContact CD2-CB 4.28Å; L1027-L1090 HydrophobicContact CD2-CB 4.04Å; L1027-L1090 HydrophobicContact CD2-CD2 3.88Å |
| 1028 | G | 83 | Confident | 85 | Confident | 39 Ų | 39 | 26.8 Ų | 26.8 | 40% | 0.402 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -10.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | G1024 W1026 | G1024-G1028 PolarHBondContact O-N 3.27Å; W1026-G1028 VanDerWaalsContact C-N 3.29Å; W1026-G1028 PolarHBondContact O-N 3.44Å |
| 1029 | R | 83 | Confident | 85 | Confident | 6 Ų | 6 | 28.9 Ų | 28.9 | 2% | 0.023 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | -13.2 | -174.4 | -66.7 | -60.9 | -176.3 | 112 | 13.3 | 115.7 | P942 D948 L958 R1025 W1026 L1027 D1031 S1032 | P942-R1029 PolarHBondContact O-NH2 3.22Å; D948-R1029 VanDerWaalsContact CB-NH2 3.27Å; D948-R1029 IonicContact OD2-CZ 2.68Å; D948-R1029 VanDerWaalsContact OD2-CZ 3.29Å; D948-R1029 IonicContact OD2-NH1 3.13Å; D948-R1029 PolarHBondContact OD2-NH1 3.45Å; D948-R1029 IonicContact OD2-NH2 3.97Å; D948-R1029 PolarHBondContact OD2-NH2 2.92Å; L958-R1029 HydrophobicContact CD1-CB 3.85Å; L958-R1029 HydrophobicContact CD1-CG 3.74Å; R1025-R1029 WeakPolarHBondContact O-CB 3.44Å; R1025-R1029 WeakPolarHBondContact O-CG 3.46Å; R1025-R1029 PolarHBondContact O-N 3.21Å; W1026-R1029 PolarHBondContact O-N 2.92Å; W1026-R1029 VanDerWaalsContact O-N 3.16Å; L1027-R1029 VanDerWaalsContact C-N 3.27Å; L1027-R1029 PolarHBondContact O-N 2.87Å; R1029-D1031 PolarHBondContact O-N 3.01Å; R1029-D1031 VanDerWaalsContact O-N 3.17Å; R1029-S1032 PolarHBondContact O-N 2.82Å; R1029-S1032 PolarHBondContact O-OG 3.2Å |
| 1030 | V | 84.6 | Confident | 84.9 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -57.8 | -34 | -175.4 | 67 | 0 | 0 | 0 | 0 | 113.2 | W1026 S1032 L1033 R1039 I1042 L1090 | W1026-V1030 WeakPolarHBondContact O-CB 2.99Å; W1026-V1030 PolarHBondContact O-N 3.33Å; V1030-S1032 VanDerWaalsContact C-N 3.26Å; V1030-S1032 PolarHBondContact O-N 3.05Å; V1030-L1033 PolarHBondContact O-N 3.12Å; V1030-R1039 HydrophobicContact CG2-CB 4Å; V1030-R1039 HydrophobicContact CG2-CG 3.89Å; V1030-I1042 HydrophobicContact CB-CG2 4.33Å; V1030-I1042 HydrophobicContact CG2-CB 4.44Å; V1030-I1042 HydrophobicContact CG2-CG2 4.16Å; V1030-L1090 HydrophobicContact CB-CD1 4.19Å; V1030-L1090 HydrophobicContact CG1-CD1 3.91Å; V1030-L1090 HydrophobicContact CG2-CD1 3.53Å |
| 1031 | D | 79.9 | Confident | 84.9 | Confident | 128 Ų | 128 | 27.4 Ų | 27.4 | 68% | 0.684 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -68.8 | -20.2 | 178.3 | -66.4 | -28.4 | 0 | 0 | 0 | 113.7 | R1029 | R1029-D1031 PolarHBondContact O-N 3.01Å; R1029-D1031 VanDerWaalsContact O-N 3.17Å |
| 1032 | S | 79 | Confident | 85 | Confident | 48 Ų | 48 | 25.6 Ų | 25.6 | 34% | 0.336 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -86.9 | -10.1 | 178.5 | 73 | 0 | 0 | 0 | 0 | 113.4 | E955 R1029 V1030 | E955-S1032 WeakPolarHBondContact OE1-CB 3.44Å; E955-S1032 PolarHBondContact OE1-OG 3.19Å; R1029-S1032 PolarHBondContact O-N 2.82Å; R1029-S1032 PolarHBondContact O-OG 3.2Å; V1030-S1032 VanDerWaalsContact C-N 3.26Å; V1030-S1032 PolarHBondContact O-N 3.05Å |
| 1033 | L | 78.3 | Confident | 85.1 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | trans | -76.6 | 127 | -178.2 | -67.5 | 176 | 0 | 0 | 0 | 111.7 | E955 E959 V1030 D1038 R1039 I1042 | E955-L1033 HydrophobicContact CB-CD2 3.62Å; E955-L1033 HydrophobicContact CG-CD2 3.68Å; E959-L1033 HydrophobicContact CG-CD2 4.29Å; E959-L1033 WeakPolarHBondContact OE1-CD2 3.03Å; V1030-L1033 PolarHBondContact O-N 3.12Å; L1033-D1038 HydrophobicContact CD1-CB 4.1Å; L1033-R1039 HydrophobicContact CB-CG 3.97Å; L1033-R1039 HydrophobicContact CD1-CG 4.35Å; L1033-R1039 PolarHBondContact O-NH1 3.45Å; L1033-I1042 HydrophobicContact CD1-CD1 3.39Å; L1033-I1042 HydrophobicContact CD1-CG1 4.43Å | ||
| 1034 | P | 72 | Confident | 85.1 | Confident | 110 Ų | 110 | 25.6 Ų | 25.6 | 71% | 0.714 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -72.3 | -37.5 | 178.6 | 27.7 | -33 | 0 | 0 | 0 | 112.3 | R1039 | P1034-R1039 PolarHBondContact O-NH1 3.24Š|
| 1035 | S | 78.9 | Confident | 85.3 | Confident | 15 Ų | 15 | 24.5 Ų | 24.5 | 11% | 0.105 | 14% | 0.142 | C | C | . | . | trans | -85.2 | 126.6 | -172.6 | 155.5 | 0 | 0 | 0 | 0 | 111.9 | I1037 D1038 R1039 | S1035-I1037 VanDerWaalsContact C-N 3.28Å; S1035-I1037 PolarHBondContact O-N 3.16Å; S1035-I1037 PolarHBondContact OG-N 3.36Å; S1035-D1038 WeakPolarHBondContact CB-OD2 3.31Å; S1035-D1038 PolarHBondContact O-N 3.25Å; S1035-D1038 PolarHBondContact OG-N 3.13Å; S1035-D1038 PolarHBondContact OG-OD2 3.06Å; S1035-R1039 PolarHBondContact O-N 3.13Å | ||
| 1036 | Y | 81.4 | Confident | 85.5 | Confident | 26 Ų | 26 | 23.4 Ų | 23.4 | 10% | 0.102 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63 | -33.4 | 177.4 | 67.2 | -86.5 | 0 | 0 | 0 | 112.9 | D1038 R1039 R1040 E1100 | Y1036-D1038 PolarHBondContact O-N 2.88Å; Y1036-R1039 WeakPolarHBondContact O-CB 3.35Å; Y1036-R1039 PolarHBondContact O-N 2.81Å; Y1036-R1040 VanDerWaalsContact O-CG 3.32Å; Y1036-R1040 WeakPolarHBondContact O-CG 3.49Å; Y1036-R1040 PolarHBondContact O-N 3.04Å; Y1036-E1100 HydrophobicContact CE1-CB 4.22Å |
| 1037 | I | 81.2 | Confident | 85.6 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.1 | -31.2 | 179.8 | -76.9 | 156.8 | 0 | 0 | 0 | 112.1 | S1035 R1039 R1040 C1041 Y1114 | S1035-I1037 VanDerWaalsContact C-N 3.28Å; S1035-I1037 PolarHBondContact O-N 3.16Å; S1035-I1037 PolarHBondContact OG-N 3.36Å; I1037-R1039 VanDerWaalsContact C-N 3.34Å; I1037-R1040 WeakPolarHBondContact O-CB 3.31Å; I1037-R1040 PolarHBondContact O-N 3.49Å; I1037-C1041 PolarHBondContact O-N 3.46Å; I1037-C1041 PolarHBondContact O-SG 3.16Å; I1037-Y1114 HydrophobicContact CB-CD1 3.68Å; I1037-Y1114 HydrophobicContact CB-CE1 3.78Å; I1037-Y1114 HydrophobicContact CD1-CD1 3.16Å; I1037-Y1114 HydrophobicContact CD1-CD2 3.69Å; I1037-Y1114 HydrophobicContact CD1-CE1 3.1Å; I1037-Y1114 HydrophobicContact CD1-CE2 3.69Å; I1037-Y1114 HydrophobicContact CD1-CG 3.44Å; I1037-Y1114 VanDerWaalsContact CD1-CG 3.44Å; I1037-Y1114 HydrophobicContact CG1-CD1 3.89Å; I1037-Y1114 HydrophobicContact CG1-CE1 3.96Å; I1037-Y1114 HydrophobicContact CG1-CG 4.43Å; I1037-Y1114 HydrophobicContact CG2-CD1 3.41Å; I1037-Y1114 VanDerWaalsContact CG2-CD1 3.41Å; I1037-Y1114 HydrophobicContact CG2-CE1 4.05Å; I1037-Y1114 HydrophobicContact CG2-CG 4.19Å |
| 1038 | D | 84.9 | Confident | 85.8 | Confident | 9 Ų | 9 | 22 Ų | 22 | 5% | 0.048 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.5 | -38.7 | 173.4 | -65.6 | -51.3 | 0 | 0 | 0 | 110.8 | E959 R963 L1033 S1035 Y1036 C1041 I1042 | E959-D1038 HydrophobicContact CG-CB 4Å; R963-D1038 IonicContact CZ-OD1 3.02Å; R963-D1038 IonicContact NH1-OD1 2.97Å; R963-D1038 PolarHBondContact NH1-OD1 2.81Å; R963-D1038 IonicContact NH2-OD1 2.69Å; R963-D1038 PolarHBondContact NH2-OD1 3.4Å; L1033-D1038 HydrophobicContact CD1-CB 4.1Å; S1035-D1038 WeakPolarHBondContact CB-OD2 3.31Å; S1035-D1038 PolarHBondContact O-N 3.25Å; S1035-D1038 PolarHBondContact OG-N 3.13Å; S1035-D1038 PolarHBondContact OG-OD2 3.06Å; Y1036-D1038 PolarHBondContact O-N 2.88Å; D1038-C1041 WeakPolarHBondContact O-CB 3.18Å; D1038-C1041 PolarHBondContact O-N 3.05Å; D1038-I1042 WeakPolarHBondContact O-CG1 3.15Å; D1038-I1042 PolarHBondContact O-N 3.46Å; D1038-I1042 VanDerWaalsContact O-N 3.09Å |
| 1039 | R | 87.8 | Confident | 86.3 | Confident | 57 Ų | 57 | 20.2 Ų | 20.2 | 22% | 0.215 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 170 | -62.5 | -168.8 | -67 | -98.8 | 6.9 | 111.9 | V1030 L1033 P1034 S1035 Y1036 I1037 C1041 I1042 A1043 V1094 D1097 | V1030-R1039 HydrophobicContact CG2-CB 4Å; V1030-R1039 HydrophobicContact CG2-CG 3.89Å; L1033-R1039 HydrophobicContact CB-CG 3.97Å; L1033-R1039 HydrophobicContact CD1-CG 4.35Å; L1033-R1039 PolarHBondContact O-NH1 3.45Å; P1034-R1039 PolarHBondContact O-NH1 3.24Å; S1035-R1039 PolarHBondContact O-N 3.13Å; Y1036-R1039 WeakPolarHBondContact O-CB 3.35Å; Y1036-R1039 PolarHBondContact O-N 2.81Å; I1037-R1039 VanDerWaalsContact C-N 3.34Å; R1039-C1041 VanDerWaalsContact C-N 3.34Å; R1039-C1041 PolarHBondContact O-N 3.39Å; R1039-I1042 PolarHBondContact O-N 3.37Å; R1039-I1042 VanDerWaalsContact O-N 3.16Å; R1039-A1043 PolarHBondContact O-N 3.42Å; R1039-V1094 HydrophobicContact CB-CG1 3.82Å; R1039-D1097 IonicContact CZ-OD1 3.13Å; R1039-D1097 IonicContact CZ-OD2 2.78Å; R1039-D1097 IonicContact NE-OD1 3.32Å; R1039-D1097 PolarHBondContact NE-OD1 3.39Å; R1039-D1097 IonicContact NE-OD2 2.71Å; R1039-D1097 PolarHBondContact NE-OD2 3.38Å; R1039-D1097 VanDerWaalsContact NE-OD2 3.16Å; R1039-D1097 VanDerWaalsContact NH2-CG 3.33Å; R1039-D1097 IonicContact NH2-OD1 3.8Å; R1039-D1097 PolarHBondContact NH2-OD1 2.96Å; R1039-D1097 IonicContact NH2-OD2 3.86Å |
| 1040 | R | 89.6 | Confident | 86.7 | Confident | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.015 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.2 | -42.2 | 174.6 | -70.8 | 174.5 | 179.4 | 178.3 | 6.3 | 112.3 | Y1036 I1037 I1042 A1043 V1044 V1094 D1097 D1099 I1118 L1124 | Y1036-R1040 VanDerWaalsContact O-CG 3.32Å; Y1036-R1040 WeakPolarHBondContact O-CG 3.49Å; Y1036-R1040 PolarHBondContact O-N 3.04Å; I1037-R1040 WeakPolarHBondContact O-CB 3.31Å; I1037-R1040 PolarHBondContact O-N 3.49Å; R1040-I1042 VanDerWaalsContact C-N 3.33Å; R1040-I1042 PolarHBondContact O-N 3.11Å; R1040-A1043 PolarHBondContact O-N 2.84Å; R1040-V1044 PolarHBondContact O-N 3.48Å; R1040-V1044 VanDerWaalsContact O-N 3.14Å; R1040-V1094 HydrophobicContact CG-CB 4.13Å; R1040-D1097 PolarHBondContact NH2-O 3.17Å; R1040-D1099 IonicContact CZ-OD1 2.83Å; R1040-D1099 VanDerWaalsContact CZ-OD1 3.24Å; R1040-D1099 IonicContact NH1-OD1 3.59Å; R1040-D1099 PolarHBondContact NH1-OD1 3.18Å; R1040-D1099 IonicContact NH2-OD1 2.78Å; R1040-D1099 PolarHBondContact NH2-OD1 3.49Å; R1040-I1118 HydrophobicContact CB-CD1 4.3Å; R1040-L1124 HydrophobicContact CB-CD1 4.11Å; R1040-L1124 HydrophobicContact CG-CD1 4.15Å; R1040-L1124 HydrophobicContact CG-CD2 3.71Å |
| 1041 | C | 89.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.5 | -48.3 | 175 | -66.1 | 0 | 0 | 0 | 0 | 110.8 | S962 L966 I1037 D1038 R1039 V1044 A1045 I1118 | S962-C1041 VanDerWaalsContact OG-CB 3.28Å; S962-C1041 WeakPolarHBondContact OG-CB 3.44Å; L966-C1041 HydrophobicContact CD1-CB 4.19Å; I1037-C1041 PolarHBondContact O-N 3.46Å; I1037-C1041 PolarHBondContact O-SG 3.16Å; D1038-C1041 WeakPolarHBondContact O-CB 3.18Å; D1038-C1041 PolarHBondContact O-N 3.05Å; R1039-C1041 VanDerWaalsContact C-N 3.34Å; R1039-C1041 PolarHBondContact O-N 3.39Å; C1041-V1044 PolarHBondContact O-N 3.43Å; C1041-A1045 WeakPolarHBondContact O-CB 3.26Å; C1041-A1045 PolarHBondContact O-N 3.07Å; C1041-I1118 HydrophobicContact CB-CD1 4.15Å; C1041-I1118 WeakPolarHBondContact SG-CD1 3.27Å |
| 1042 | I | 91.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | -179.7 | -72.6 | -175.7 | 0 | 0 | 0 | 111.9 | W1026 V1030 L1033 D1038 R1039 R1040 V1044 A1045 A1046 L1090 | W1026-I1042 HydrophobicContact CB-CG2 3.51Å; W1026-I1042 HydrophobicContact CD2-CG2 4.45Å; W1026-I1042 HydrophobicContact CG-CG1 4.37Å; W1026-I1042 HydrophobicContact CG-CG2 3.71Å; V1030-I1042 HydrophobicContact CB-CG2 4.33Å; V1030-I1042 HydrophobicContact CG2-CB 4.44Å; V1030-I1042 HydrophobicContact CG2-CG2 4.16Å; L1033-I1042 HydrophobicContact CD1-CD1 3.39Å; L1033-I1042 HydrophobicContact CD1-CG1 4.43Å; D1038-I1042 WeakPolarHBondContact O-CG1 3.15Å; D1038-I1042 PolarHBondContact O-N 3.46Å; D1038-I1042 VanDerWaalsContact O-N 3.09Å; R1039-I1042 PolarHBondContact O-N 3.37Å; R1039-I1042 VanDerWaalsContact O-N 3.16Å; R1040-I1042 VanDerWaalsContact C-N 3.33Å; R1040-I1042 PolarHBondContact O-N 3.11Å; I1042-V1044 PolarHBondContact O-N 3.02Å; I1042-A1045 PolarHBondContact O-N 3.44Å; I1042-A1046 VanDerWaalsContact O-CB 3.28Å; I1042-A1046 WeakPolarHBondContact O-CB 3.43Å; I1042-A1046 PolarHBondContact O-N 3.11Å; I1042-L1090 HydrophobicContact CG2-CD2 4.07Å |
| 1043 | A | 92 | Very high | 87.9 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.4 | -46.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1039 R1040 A1046 I1047 L1090 V1094 | R1039-A1043 PolarHBondContact O-N 3.42Å; R1040-A1043 PolarHBondContact O-N 2.84Å; A1043-A1046 PolarHBondContact O-N 3.49Å; A1043-I1047 WeakPolarHBondContact O-CG2 3.38Å; A1043-I1047 PolarHBondContact O-N 3.5Å; A1043-I1047 VanDerWaalsContact O-N 3.08Å; A1043-L1090 HydrophobicContact CB-CD1 4.23Å; A1043-L1090 HydrophobicContact CB-CD2 4.18Å; A1043-L1090 HydrophobicContact CB-CG 3.86Å; A1043-V1094 HydrophobicContact CB-CB 4.24Å; A1043-V1094 HydrophobicContact CB-CG1 3.78Å; A1043-V1094 HydrophobicContact CB-CG2 3.5Å; A1043-V1094 VanDerWaalsContact CB-CG2 3.5Å |
| 1044 | V | 92.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -68 | -37.2 | 177.8 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | L966 R1040 C1041 I1042 I1047 T1048 I1118 L1124 R1127 L1128 | L966-V1044 HydrophobicContact CD2-CB 3.53Å; L966-V1044 HydrophobicContact CD2-CG1 3.48Å; L966-V1044 VanDerWaalsContact CD2-CG1 3.48Å; L966-V1044 HydrophobicContact CD2-CG2 4.49Å; R1040-V1044 PolarHBondContact O-N 3.48Å; R1040-V1044 VanDerWaalsContact O-N 3.14Å; C1041-V1044 PolarHBondContact O-N 3.43Å; I1042-V1044 PolarHBondContact O-N 3.02Å; V1044-I1047 VanDerWaalsContact O-CG2 3.25Å; V1044-I1047 WeakPolarHBondContact O-CG2 3.2Å; V1044-T1048 WeakPolarHBondContact O-CB 3.44Å; V1044-T1048 PolarHBondContact O-N 3.04Å; V1044-T1048 PolarHBondContact O-OG1 3.36Å; V1044-I1118 HydrophobicContact CG2-CG2 3.93Å; V1044-L1124 HydrophobicContact CG2-CD1 3.91Å; V1044-R1127 HydrophobicContact CG1-CG 3.83Å; V1044-R1127 HydrophobicContact CG2-CG 4.31Å; V1044-L1128 HydrophobicContact CG2-CD2 3.97Å; V1044-L1128 HydrophobicContact CG2-CG 4.43Å |
| 1045 | A | 93 | Very high | 89 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V965 W1026 C1041 I1042 T1048 C1049 | V965-A1045 HydrophobicContact CB-CB 3.83Å; V965-A1045 HydrophobicContact CG1-CB 3.99Å; V965-A1045 HydrophobicContact CG2-CB 4.48Å; W1026-A1045 HydrophobicContact CE3-CB 4.31Å; W1026-A1045 HydrophobicContact CH2-CB 3.69Å; W1026-A1045 HydrophobicContact CZ2-CB 4.04Å; W1026-A1045 HydrophobicContact CZ3-CB 3.83Å; C1041-A1045 WeakPolarHBondContact O-CB 3.26Å; C1041-A1045 PolarHBondContact O-N 3.07Å; I1042-A1045 PolarHBondContact O-N 3.44Å; A1045-T1048 PolarHBondContact O-N 2.92Å; A1045-C1049 WeakPolarHBondContact O-CB 3.3Å; A1045-C1049 PolarHBondContact O-N 3.31Å; A1045-C1049 PolarHBondContact O-SG 3.03Å |
| 1046 | A | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.3 | -47.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | W1026 I1042 A1043 T1048 C1049 F1050 V1087 L1090 | W1026-A1046 HydrophobicContact CE3-CB 4.4Å; I1042-A1046 VanDerWaalsContact O-CB 3.28Å; I1042-A1046 WeakPolarHBondContact O-CB 3.43Å; I1042-A1046 PolarHBondContact O-N 3.11Å; A1043-A1046 PolarHBondContact O-N 3.49Å; A1046-T1048 VanDerWaalsContact C-N 3.35Å; A1046-T1048 PolarHBondContact O-N 3.38Å; A1046-C1049 PolarHBondContact O-N 3.4Å; A1046-F1050 VanDerWaalsContact O-CB 3.28Å; A1046-F1050 WeakPolarHBondContact O-CB 3.31Å; A1046-F1050 PolarHBondContact O-N 3.34Å; A1046-V1087 HydrophobicContact CB-CG2 4.47Å; A1046-L1090 HydrophobicContact CB-CD2 4.11Å |
| 1047 | I | 93.6 | Very high | 89.2 | Confident | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.015 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.4 | -37.9 | 176.2 | -172.5 | 169.1 | 0 | 0 | 0 | 112.3 | A1043 V1044 C1049 F1050 R1051 V1087 I1091 L1128 E1131 L1132 | A1043-I1047 WeakPolarHBondContact O-CG2 3.38Å; A1043-I1047 PolarHBondContact O-N 3.5Å; A1043-I1047 VanDerWaalsContact O-N 3.08Å; V1044-I1047 VanDerWaalsContact O-CG2 3.25Å; V1044-I1047 WeakPolarHBondContact O-CG2 3.2Å; I1047-C1049 VanDerWaalsContact C-N 3.35Å; I1047-C1049 PolarHBondContact O-N 3.1Å; I1047-F1050 PolarHBondContact O-N 2.9Å; I1047-R1051 VanDerWaalsContact O-CB 3.24Å; I1047-R1051 WeakPolarHBondContact O-CB 3.38Å; I1047-R1051 PolarHBondContact O-N 2.89Å; I1047-V1087 HydrophobicContact CB-CG1 3.96Å; I1047-V1087 HydrophobicContact CG1-CG1 4.42Å; I1047-I1091 HydrophobicContact CB-CD1 4.09Å; I1047-I1091 HydrophobicContact CD1-CD1 3.63Å; I1047-I1091 HydrophobicContact CG1-CD1 4.29Å; I1047-L1128 HydrophobicContact CG2-CD2 4.36Å; I1047-E1131 HydrophobicContact CD1-CB 3.94Å; I1047-E1131 HydrophobicContact CG1-CB 4.14Å; I1047-E1131 HydrophobicContact CG2-CB 3.96Å; I1047-E1131 HydrophobicContact CG2-CG 4.17Å; I1047-L1132 HydrophobicContact CD1-CD2 3.53Å; I1047-L1132 HydrophobicContact CD1-CG 3.63Å |
| 1048 | T | 92.3 | Very high | 89.1 | Confident | 6 Ų | 6 | 22.9 Ų | 22.9 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 110.6 | V965 W971 V1044 A1045 A1046 Q1052 | V965-T1048 HydrophobicContact CG1-CG2 3.7Å; W971-T1048 HydrophobicContact CE3-CG2 4.17Å; W971-T1048 HydrophobicContact CZ3-CG2 4.07Å; V1044-T1048 WeakPolarHBondContact O-CB 3.44Å; V1044-T1048 PolarHBondContact O-N 3.04Å; V1044-T1048 PolarHBondContact O-OG1 3.36Å; A1045-T1048 PolarHBondContact O-N 2.92Å; A1046-T1048 VanDerWaalsContact C-N 3.35Å; A1046-T1048 PolarHBondContact O-N 3.38Å; T1048-Q1052 WeakPolarHBondContact O-CG 3.49Å; T1048-Q1052 PolarHBondContact O-N 3.04Å; T1048-Q1052 VanDerWaalsContact O-N 3.17Å |
| 1049 | C | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.6 | -45.4 | 175.9 | -66.4 | 0 | 0 | 0 | 0 | 112 | W971 F974 L1019 I1023 W1026 A1045 A1046 I1047 R1051 Q1052 G1053 | W971-C1049 HydrophobicContact CH2-CB 4.41Å; F974-C1049 WeakPolarHBondContact CE1-SG 3.45Å; L1019-C1049 WeakPolarHBondContact CD1-O 3.4Å; L1019-C1049 HydrophobicContact CD2-CB 4.14Å; I1023-C1049 HydrophobicContact CD1-CB 3.79Å; I1023-C1049 HydrophobicContact CG1-CB 3.79Å; W1026-C1049 HydrophobicContact CZ3-CB 4.45Å; A1045-C1049 WeakPolarHBondContact O-CB 3.3Å; A1045-C1049 PolarHBondContact O-N 3.31Å; A1045-C1049 PolarHBondContact O-SG 3.03Å; A1046-C1049 PolarHBondContact O-N 3.4Å; I1047-C1049 VanDerWaalsContact C-N 3.35Å; I1047-C1049 PolarHBondContact O-N 3.1Å; C1049-R1051 VanDerWaalsContact C-N 3.32Å; C1049-R1051 PolarHBondContact O-N 3.14Å; C1049-Q1052 PolarHBondContact O-N 3.4Å; C1049-G1053 PolarHBondContact O-N 2.86Å |
| 1050 | F | 93.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -54.4 | -49.3 | 175.8 | 168.6 | -109.4 | 0 | 0 | 0 | 111.7 | A1046 I1047 Q1052 G1053 W1079 H1080 W1083 L1084 V1087 W1135 | A1046-F1050 VanDerWaalsContact O-CB 3.28Å; A1046-F1050 WeakPolarHBondContact O-CB 3.31Å; A1046-F1050 PolarHBondContact O-N 3.34Å; I1047-F1050 PolarHBondContact O-N 2.9Å; F1050-Q1052 VanDerWaalsContact C-N 3.35Å; F1050-Q1052 PolarHBondContact O-N 3.37Å; F1050-G1053 PolarHBondContact O-N 3.5Å; F1050-W1079 AromaticContact CD2-NE1 3.6Å; F1050-W1079 AromaticContact CE2-CD1 3.91Å; F1050-W1079 AromaticContact CE2-NE1 3.81Å; F1050-W1079 PolarHBondContact O-NE1 2.84Å; F1050-H1080 AromaticContact CZ-CD2 3.5Å; F1050-H1080 VanDerWaalsContact CZ-CD2 3.5Å; F1050-H1080 WeakPolarHBondContact CZ-CD2 3.37Å; F1050-H1080 AromaticContact CZ-NE2 3.85Å; F1050-W1083 HydrophobicContact CD2-CB 3.6Å; F1050-W1083 HydrophobicContact CE2-CB 3.96Å; F1050-L1084 HydrophobicContact CE1-CD1 3.58Å; F1050-L1084 HydrophobicContact CE2-CB 4.24Å; F1050-L1084 HydrophobicContact CZ-CB 3.89Å; F1050-L1084 HydrophobicContact CZ-CD1 3.49Å; F1050-L1084 VanDerWaalsContact CZ-CD1 3.49Å; F1050-L1084 HydrophobicContact CZ-CG 4.24Å; F1050-V1087 HydrophobicContact CB-CG2 4.2Å; F1050-V1087 HydrophobicContact CG-CG2 4.48Å; F1050-W1135 AromaticContact CE1-CD1 3.61Å; F1050-W1135 HydrophobicContact CE1-CG 4.37Å; F1050-W1135 AromaticContact CE1-NE1 3.39Å; F1050-W1135 AromaticContact CZ-NE1 3.79Å |
| 1051 | R | 91.1 | Very high | 88.1 | Confident | 24 Ų | 24 | 31.3 Ų | 31.3 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.5 | -45.9 | 177.8 | 174.5 | 173.6 | 70.8 | 85.7 | -3.6 | 112 | I1047 C1049 G1053 V1054 E1131 W1135 Q1138 | I1047-R1051 VanDerWaalsContact O-CB 3.24Å; I1047-R1051 WeakPolarHBondContact O-CB 3.38Å; I1047-R1051 PolarHBondContact O-N 2.89Å; C1049-R1051 VanDerWaalsContact C-N 3.32Å; C1049-R1051 PolarHBondContact O-N 3.14Å; R1051-G1053 PolarHBondContact O-N 2.95Å; R1051-V1054 WeakPolarHBondContact O-CB 3.47Å; R1051-V1054 WeakPolarHBondContact O-CG2 3.35Å; R1051-V1054 PolarHBondContact O-N 2.97Å; R1051-E1131 IonicContact CZ-OE2 2.71Å; R1051-E1131 VanDerWaalsContact CZ-OE2 3.32Å; R1051-E1131 IonicContact NE-OE2 2.76Å; R1051-E1131 PolarHBondContact NE-OE2 2.95Å; R1051-E1131 IonicContact NH2-OE2 3.68Å; R1051-E1131 PolarHBondContact NH2-OE2 3.08Å; R1051-W1135 HydrophobicContact CB-CB 4.33Å; R1051-W1135 HydrophobicContact CG-CB 4.07Å; R1051-Q1138 PolarHBondContact O-OE1 3.4Å |
| 1052 | Q | 89.2 | Confident | 87.6 | Confident | 51 Ų | 51 | 37.6 Ų | 37.6 | 24% | 0.238 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.4 | -20.9 | -176.5 | -65.7 | -78.9 | -7.6 | 0 | 0 | 113.5 | W971 L1015 L1019 T1048 C1049 F1050 V1054 | W971-Q1052 HydrophobicContact CD2-CG 4.26Å; W971-Q1052 HydrophobicContact CE3-CG 4.44Å; W971-Q1052 HydrophobicContact CH2-CB 3.66Å; W971-Q1052 HydrophobicContact CH2-CG 3.59Å; W971-Q1052 HydrophobicContact CZ2-CB 3.31Å; W971-Q1052 HydrophobicContact CZ2-CG 3.33Å; W971-Q1052 HydrophobicContact CZ3-CG 4.13Å; L1015-Q1052 VanDerWaalsContact CD2-O 3.22Å; L1015-Q1052 WeakPolarHBondContact CD2-O 3.36Å; L1019-Q1052 HydrophobicContact CD1-CB 4.2Å; T1048-Q1052 WeakPolarHBondContact O-CG 3.49Å; T1048-Q1052 PolarHBondContact O-N 3.04Å; T1048-Q1052 VanDerWaalsContact O-N 3.17Å; C1049-Q1052 PolarHBondContact O-N 3.4Å; F1050-Q1052 VanDerWaalsContact C-N 3.35Å; F1050-Q1052 PolarHBondContact O-N 3.37Å; Q1052-V1054 VanDerWaalsContact C-N 3.3Å |
| 1053 | G | 86.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 3.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1016 C1049 F1050 R1051 | R1016-G1053 PolarHBondContact NE-O 3.44Å; R1016-G1053 PolarHBondContact NH2-O 2.91Å; C1049-G1053 PolarHBondContact O-N 2.86Å; F1050-G1053 PolarHBondContact O-N 3.5Å; R1051-G1053 PolarHBondContact O-N 2.95Å |
| 1054 | V | 88.2 | Confident | 86.4 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -78.8 | 139.3 | -177.2 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | R1051 Q1052 V1139 | R1051-V1054 WeakPolarHBondContact O-CB 3.47Å; R1051-V1054 WeakPolarHBondContact O-CG2 3.35Å; R1051-V1054 PolarHBondContact O-N 2.97Å; Q1052-V1054 VanDerWaalsContact C-N 3.3Å; V1054-V1139 HydrophobicContact CG1-CB 4.49Å; V1054-V1139 HydrophobicContact CG1-CG2 3.62Å |
| 1055 | Q | 85.7 | Confident | 85.8 | Confident | 66 Ų | 66 | 49 Ų | 49 | 31% | 0.308 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 138.8 | 169 | 65.3 | -170.3 | 9.7 | 0 | 0 | 110.6 | L1012 Y1057 | L1012-Q1055 HydrophobicContact CD2-CB 3.51Å; Q1055-Y1057 HydrophobicContact CG-CE1 4.13Å; Q1055-Y1057 HydrophobicContact CG-CE2 3.89Å; Q1055-Y1057 VanDerWaalsContact NE2-CZ 3.31Å; Q1055-Y1057 PolarHBondContact NE2-OH 3.11Å; Q1055-Y1057 WeakPolarHBondContact O-CD2 3.35Å |
| 1056 | S | 82.1 | Confident | 85.4 | Confident | 84 Ų | 84 | 52.7 Ų | 52.7 | 59% | 0.587 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -82.4 | 129.1 | 174.1 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | Q1138 | S1056-Q1138 VanDerWaalsContact CA-O 3.29Å; S1056-Q1138 WeakPolarHBondContact CA-O 3.36Å; S1056-Q1138 WeakPolarHBondContact CB-O 3.41Å; S1056-Q1138 PolarHBondContact OG-O 3.28Å |
| 1057 | Y | 82.5 | Confident | 84.8 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -97.5 | 116.4 | 178.9 | -64.9 | -83.8 | 0 | 0 | 0 | 110.5 | Q1055 I1059 L1073 D1077 V1139 I1144 L1148 | Q1055-Y1057 HydrophobicContact CG-CE1 4.13Å; Q1055-Y1057 HydrophobicContact CG-CE2 3.89Å; Q1055-Y1057 VanDerWaalsContact NE2-CZ 3.31Å; Q1055-Y1057 PolarHBondContact NE2-OH 3.11Å; Q1055-Y1057 WeakPolarHBondContact O-CD2 3.35Å; Y1057-I1059 PolarHBondContact O-N 2.87Å; Y1057-L1073 HydrophobicContact CD1-CD2 3.84Å; Y1057-L1073 HydrophobicContact CE1-CD2 3.64Å; Y1057-D1077 WeakPolarHBondContact OH-CB 3.34Å; Y1057-D1077 VanDerWaalsContact OH-CG 3.27Å; Y1057-D1077 PolarHBondContact OH-OD2 3.15Å; Y1057-V1139 WeakPolarHBondContact CB-O 3.34Å; Y1057-V1139 HydrophobicContact CD2-CG1 3.83Å; Y1057-V1139 WeakPolarHBondContact CD2-O 3.3Å; Y1057-V1139 HydrophobicContact CE2-CG1 4.24Å; Y1057-V1139 PolarHBondContact N-O 3.42Å; Y1057-I1144 HydrophobicContact CD2-CG2 3.9Å; Y1057-I1144 HydrophobicContact CE2-CG2 4.28Å; Y1057-I1144 HydrophobicContact CG-CD1 4.5Å; Y1057-I1144 HydrophobicContact CG-CG2 4.33Å; Y1057-L1148 HydrophobicContact CE2-CD1 4.25Å |
| 1058 | T | 78.4 | Confident | 84.2 | Confident | 137 Ų | 137 | 63.9 Ų | 63.9 | 84% | 0.84 | 34% | 0.34 | S | S | * | . | trans | -89.8 | 91.6 | 171.4 | 44.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1059 | I | 79.4 | Confident | 83.8 | Confident | 29 Ų | 29 | 67.4 Ų | 67.4 | 15% | 0.149 | 35% | 0.354 | C | S | . | . | trans | -109 | 134.2 | -178.2 | -52.6 | -163.4 | 0 | 0 | 0 | 109.7 | Y1057 Q1063 L1064 Y1069 L1070 L1073 I1144 | Y1057-I1059 PolarHBondContact O-N 2.87Å; I1059-Q1063 HydrophobicContact CG2-CB 3.24Å; I1059-Q1063 HydrophobicContact CG2-CG 4.35Å; I1059-L1064 HydrophobicContact CB-CG 4.42Å; I1059-L1064 HydrophobicContact CG2-CD2 4.36Å; I1059-L1064 HydrophobicContact CG2-CG 3.91Å; I1059-Y1069 HydrophobicContact CD1-CE1 4.22Å; I1059-Y1069 HydrophobicContact CG2-CE1 4.24Å; I1059-L1070 HydrophobicContact CD1-CD2 3.81Å; I1059-L1073 HydrophobicContact CD1-CD1 3.65Å; I1059-I1144 HydrophobicContact CB-CD1 4.18Å; I1059-I1144 HydrophobicContact CD1-CD1 3.22Å; I1059-I1144 HydrophobicContact CD1-CG1 3.57Å; I1059-I1144 HydrophobicContact CG1-CD1 3.6Å; I1059-I1144 HydrophobicContact CG1-CG1 4.45Å | ||
| 1060 | N | 82.4 | Confident | 83.3 | Confident | 85 Ų | 85 | 68.1 Ų | 68.1 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | trans | -82.6 | 162.4 | 174.3 | 67.1 | 37.5 | 0 | 0 | 0 | 112.2 | N1062 Q1063 L1064 | N1060-N1062 PolarHBondContact O-N 2.78Å; N1060-N1062 PolarHBondContact OD1-N 2.99Å; N1060-Q1063 PolarHBondContact ND2-OE1 2.87Å; N1060-Q1063 PolarHBondContact O-N 3.46Å; N1060-Q1063 WeakPolarHBondContact OD1-CB 3.4Å; N1060-Q1063 VanDerWaalsContact OD1-CG 3.24Å; N1060-Q1063 WeakPolarHBondContact OD1-CG 3.31Å; N1060-Q1063 PolarHBondContact OD1-N 3.41Å; N1060-Q1063 PolarHBondContact OD1-OE1 3.23Å; N1060-L1064 PolarHBondContact O-N 2.99Å | ||
| 1061 | D | 79.6 | Confident | 82.8 | Confident | 132 Ų | 132 | 73.2 Ų | 73.2 | 71% | 0.706 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -31 | -178 | -65.5 | -22.6 | 0 | 0 | 0 | 113.9 | ||
| 1062 | N | 80.5 | Confident | 82.4 | Confident | 132 Ų | 132 | 76.3 Ų | 76.3 | 71% | 0.706 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -40.7 | 178.4 | -69.8 | -19.6 | 0 | 0 | 0 | 112.3 | N1060 L1064 L1065 | N1060-N1062 PolarHBondContact O-N 2.78Å; N1060-N1062 PolarHBondContact OD1-N 2.99Å; N1062-L1064 VanDerWaalsContact C-N 3.3Å; N1062-L1065 PolarHBondContact O-N 2.75Å |
| 1063 | Q | 80.6 | Confident | 82.2 | Confident | 55 Ų | 55 | 75.9 Ų | 75.9 | 26% | 0.257 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -69.6 | -28.8 | 176.9 | -74.7 | 170.2 | -35.7 | 0 | 0 | 111.7 | I1059 N1060 L1065 D1066 Y1069 | I1059-Q1063 HydrophobicContact CG2-CB 3.24Å; I1059-Q1063 HydrophobicContact CG2-CG 4.35Å; N1060-Q1063 PolarHBondContact ND2-OE1 2.87Å; N1060-Q1063 PolarHBondContact O-N 3.46Å; N1060-Q1063 WeakPolarHBondContact OD1-CB 3.4Å; N1060-Q1063 VanDerWaalsContact OD1-CG 3.24Å; N1060-Q1063 WeakPolarHBondContact OD1-CG 3.31Å; N1060-Q1063 PolarHBondContact OD1-N 3.41Å; N1060-Q1063 PolarHBondContact OD1-OE1 3.23Å; Q1063-L1065 PolarHBondContact O-N 2.99Å; Q1063-D1066 PolarHBondContact O-N 3.25Å; Q1063-D1066 VanDerWaalsContact O-N 3.15Å; Q1063-Y1069 HydrophobicContact CB-CD1 3.84Å; Q1063-Y1069 HydrophobicContact CB-CE1 3.72Å; Q1063-Y1069 HydrophobicContact CG-CD1 4.16Å; Q1063-Y1069 HydrophobicContact CG-CE1 3.86Å; Q1063-Y1069 PolarHBondContact NE2-OH 3.09Å |
| 1064 | L | 76.6 | Confident | 82.1 | Confident | 41 Ų | 41 | 76.1 Ų | 76.1 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -64 | -24.5 | 173.2 | -79.7 | 162.9 | 0 | 0 | 0 | 113.3 | I1059 N1060 N1062 C1141 T1143 I1144 | I1059-L1064 HydrophobicContact CB-CG 4.42Å; I1059-L1064 HydrophobicContact CG2-CD2 4.36Å; I1059-L1064 HydrophobicContact CG2-CG 3.91Å; N1060-L1064 PolarHBondContact O-N 2.99Å; N1062-L1064 VanDerWaalsContact C-N 3.3Å; L1064-C1141 WeakPolarHBondContact CD2-SG 3.27Å; L1064-T1143 HydrophobicContact CD2-CG2 4.27Å; L1064-I1144 HydrophobicContact CD2-CG1 4.39Å |
| 1065 | L | 80.6 | Confident | 81.9 | Confident | 145 Ų | 145 | 80 Ų | 80 | 76% | 0.759 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -88.4 | -11.9 | 176.2 | -65.3 | 169 | 0 | 0 | 0 | 112.8 | N1062 Q1063 V1067 | N1062-L1065 PolarHBondContact O-N 2.75Å; Q1063-L1065 PolarHBondContact O-N 2.99Å; L1065-V1067 PolarHBondContact O-N 3.14Å |
| 1066 | D | 84 | Confident | 81.8 | Confident | 78 Ų | 78 | 83.1 Ų | 83.1 | 42% | 0.417 | 44% | 0.443 | S | S | . | . | trans | -89 | 91.9 | 178.9 | -171.2 | -14 | 0 | 0 | 0 | 110.4 | Q1063 K1068 Y1069 L1070 | Q1063-D1066 PolarHBondContact O-N 3.25Å; Q1063-D1066 VanDerWaalsContact O-N 3.15Å; D1066-K1068 PolarHBondContact O-N 3.41Å; D1066-K1068 PolarHBondContact OD1-N 2.89Å; D1066-K1068 VanDerWaalsContact OD1-N 3.11Å; D1066-Y1069 VanDerWaalsContact CG-CB 3.47Å; D1066-Y1069 PolarHBondContact O-N 3.31Å; D1066-Y1069 PolarHBondContact OD1-N 3.49Å; D1066-Y1069 VanDerWaalsContact OD1-N 3.11Å; D1066-L1070 WeakPolarHBondContact O-CG 3.45Å; D1066-L1070 PolarHBondContact O-N 3.48Å | ||
| 1067 | V | 80.8 | Confident | 82 | Confident | 97 Ų | 97 | 79.2 Ų | 79.2 | 59% | 0.588 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -54.1 | -38.9 | 178.7 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | L1065 L1070 E1071 | L1065-V1067 PolarHBondContact O-N 3.14Å; V1067-L1070 PolarHBondContact O-N 2.95Å; V1067-E1071 HydrophobicContact CG1-CG 4.48Å; V1067-E1071 WeakPolarHBondContact O-CG 3.34Å; V1067-E1071 PolarHBondContact O-N 3.42Å |
| 1068 | K | 81.5 | Confident | 82.2 | Confident | 142 Ų | 142 | 82.2 Ų | 82.2 | 62% | 0.617 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -71 | -40.5 | -176.8 | -166.6 | -178.8 | -179.6 | -174.3 | 0 | 111.3 | D1066 L1070 E1071 D1072 | D1066-K1068 PolarHBondContact O-N 3.41Å; D1066-K1068 PolarHBondContact OD1-N 2.89Å; D1066-K1068 VanDerWaalsContact OD1-N 3.11Å; K1068-L1070 VanDerWaalsContact C-N 3.32Å; K1068-L1070 PolarHBondContact O-N 2.92Å; K1068-E1071 PolarHBondContact O-N 2.87Å; K1068-D1072 WeakPolarHBondContact O-CB 3.24Å; K1068-D1072 PolarHBondContact O-N 3.41Å |
| 1069 | Y | 84.9 | Confident | 82.8 | Confident | 80 Ų | 80 | 76 Ų | 76 | 31% | 0.314 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 173.2 | 176.5 | -103.7 | 0 | 0 | 0 | 112.1 | I1059 Q1063 D1066 L1073 | I1059-Y1069 HydrophobicContact CD1-CE1 4.22Å; I1059-Y1069 HydrophobicContact CG2-CE1 4.24Å; Q1063-Y1069 HydrophobicContact CB-CD1 3.84Å; Q1063-Y1069 HydrophobicContact CB-CE1 3.72Å; Q1063-Y1069 HydrophobicContact CG-CD1 4.16Å; Q1063-Y1069 HydrophobicContact CG-CE1 3.86Å; Q1063-Y1069 PolarHBondContact NE2-OH 3.09Å; D1066-Y1069 VanDerWaalsContact CG-CB 3.47Å; D1066-Y1069 PolarHBondContact O-N 3.31Å; D1066-Y1069 PolarHBondContact OD1-N 3.49Å; D1066-Y1069 VanDerWaalsContact OD1-N 3.11Å; Y1069-L1073 HydrophobicContact CD1-CD1 3.75Å; Y1069-L1073 HydrophobicContact CE1-CD1 3.21Å; Y1069-L1073 HydrophobicContact CE1-CG 4.34Å; Y1069-L1073 HydrophobicContact CE2-CD1 4.19Å; Y1069-L1073 HydrophobicContact CG-CD1 4.43Å; Y1069-L1073 VanDerWaalsContact CZ-CD1 3.46Å; Y1069-L1073 WeakPolarHBondContact O-CB 3.35Å; Y1069-L1073 PolarHBondContact O-N 3.29Å |
| 1070 | L | 82.1 | Confident | 83.4 | Confident | 15 Ų | 15 | 74.6 Ų | 74.6 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 176.3 | -68 | 176.2 | 0 | 0 | 0 | 112.6 | I1059 D1066 V1067 K1068 L1073 A1074 T1143 I1144 A1147 | I1059-L1070 HydrophobicContact CD1-CD2 3.81Å; D1066-L1070 WeakPolarHBondContact O-CG 3.45Å; D1066-L1070 PolarHBondContact O-N 3.48Å; V1067-L1070 PolarHBondContact O-N 2.95Å; K1068-L1070 VanDerWaalsContact C-N 3.32Å; K1068-L1070 PolarHBondContact O-N 2.92Å; L1070-L1073 PolarHBondContact O-N 3.33Å; L1070-A1074 WeakPolarHBondContact O-CB 3.09Å; L1070-A1074 PolarHBondContact O-N 3.27Å; L1070-T1143 HydrophobicContact CD1-CG2 4.03Å; L1070-I1144 HydrophobicContact CD2-CG1 3.99Å; L1070-A1147 HydrophobicContact CB-CB 4.24Å |
| 1071 | E | 81.7 | Confident | 83.7 | Confident | 111 Ų | 111 | 73.1 Ų | 73.1 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 174.5 | -75.6 | 174.3 | 177.1 | 0 | 0 | 111.5 | V1067 K1068 L1073 A1074 V1075 | V1067-E1071 HydrophobicContact CG1-CG 4.48Å; V1067-E1071 WeakPolarHBondContact O-CG 3.34Å; V1067-E1071 PolarHBondContact O-N 3.42Å; K1068-E1071 PolarHBondContact O-N 2.87Å; E1071-L1073 VanDerWaalsContact C-N 3.29Å; E1071-L1073 PolarHBondContact O-N 3.43Å; E1071-A1074 PolarHBondContact O-N 3.49Å; E1071-A1074 VanDerWaalsContact O-N 3.15Å; E1071-V1075 VanDerWaalsContact O-CG2 3.31Å; E1071-V1075 WeakPolarHBondContact O-CG2 3.46Å; E1071-V1075 PolarHBondContact O-N 2.82Å |
| 1072 | D | 83.9 | Confident | 84.2 | Confident | 89 Ų | 89 | 72.1 Ų | 72.1 | 48% | 0.476 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 177.5 | -75 | -23 | 0 | 0 | 0 | 111.2 | K1068 N1076 | K1068-D1072 WeakPolarHBondContact O-CB 3.24Å; K1068-D1072 PolarHBondContact O-N 3.41Å; D1072-N1076 WeakPolarHBondContact O-CB 3.35Å; D1072-N1076 PolarHBondContact O-N 3.27Å; D1072-N1076 PolarHBondContact O-ND2 3.3Å |
| 1073 | L | 84.7 | Confident | 84.8 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 22% | 0.22 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62 | -47.1 | 172.7 | -93.9 | 165.1 | 0 | 0 | 0 | 112.2 | Y1057 I1059 Y1069 L1070 E1071 N1076 D1077 | Y1057-L1073 HydrophobicContact CD1-CD2 3.84Å; Y1057-L1073 HydrophobicContact CE1-CD2 3.64Å; I1059-L1073 HydrophobicContact CD1-CD1 3.65Å; Y1069-L1073 HydrophobicContact CD1-CD1 3.75Å; Y1069-L1073 HydrophobicContact CE1-CD1 3.21Å; Y1069-L1073 HydrophobicContact CE1-CG 4.34Å; Y1069-L1073 HydrophobicContact CE2-CD1 4.19Å; Y1069-L1073 HydrophobicContact CG-CD1 4.43Å; Y1069-L1073 VanDerWaalsContact CZ-CD1 3.46Å; Y1069-L1073 WeakPolarHBondContact O-CB 3.35Å; Y1069-L1073 PolarHBondContact O-N 3.29Å; L1070-L1073 PolarHBondContact O-N 3.33Å; E1071-L1073 VanDerWaalsContact C-N 3.29Å; E1071-L1073 PolarHBondContact O-N 3.43Å; L1073-N1076 PolarHBondContact O-N 2.9Å; L1073-D1077 PolarHBondContact O-N 2.93Å |
| 1074 | A | 83.8 | Confident | 85.4 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.033 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.8 | -45.3 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1070 E1071 N1076 D1077 L1148 C1151 H1152 | L1070-A1074 WeakPolarHBondContact O-CB 3.09Å; L1070-A1074 PolarHBondContact O-N 3.27Å; E1071-A1074 PolarHBondContact O-N 3.49Å; E1071-A1074 VanDerWaalsContact O-N 3.15Å; A1074-N1076 VanDerWaalsContact C-N 3.25Å; A1074-N1076 PolarHBondContact O-N 2.92Å; A1074-D1077 PolarHBondContact O-N 3.43Å; A1074-D1077 VanDerWaalsContact O-N 3.12Å; A1074-L1148 HydrophobicContact CB-CD2 3.91Å; A1074-C1151 HydrophobicContact CB-CB 3.75Å; A1074-H1152 PolarHBondContact O-CE1 2.91Å; A1074-H1152 PolarHBondContact O-NE2 3.29Å |
| 1075 | V | 83.4 | Confident | 86.1 | Confident | 94 Ų | 94 | 66.5 Ų | 66.5 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.8 | -35.1 | 178.9 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | E1071 D1077 | E1071-V1075 VanDerWaalsContact O-CG2 3.31Å; E1071-V1075 WeakPolarHBondContact O-CG2 3.46Å; E1071-V1075 PolarHBondContact O-N 2.82Å; V1075-D1077 VanDerWaalsContact C-N 3.3Å; V1075-D1077 PolarHBondContact O-N 3.09Å |
| 1076 | N | 84.1 | Confident | 86.6 | Confident | 132 Ų | 132 | 62 Ų | 62 | 71% | 0.706 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -5.7 | -180 | -71.5 | -49.4 | 0 | 0 | 0 | 113.9 | D1072 L1073 A1074 S1078 | D1072-N1076 WeakPolarHBondContact O-CB 3.35Å; D1072-N1076 PolarHBondContact O-N 3.27Å; D1072-N1076 PolarHBondContact O-ND2 3.3Å; L1073-N1076 PolarHBondContact O-N 2.9Å; A1074-N1076 VanDerWaalsContact C-N 3.25Å; A1074-N1076 PolarHBondContact O-N 2.92Å; N1076-S1078 PolarHBondContact O-N 2.73Å |
| 1077 | D | 85.8 | Confident | 87.1 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.011 | 31% | 0.312 | C | S | . | . | trans | -85.8 | 89.3 | 177.1 | -165.1 | -29.2 | 0 | 0 | 0 | 112.2 | R1016 Y1057 L1073 A1074 V1075 W1079 H1080 A1081 L1148 | R1016-D1077 IonicContact NH2-OD1 3.08Å; Y1057-D1077 WeakPolarHBondContact OH-CB 3.34Å; Y1057-D1077 VanDerWaalsContact OH-CG 3.27Å; Y1057-D1077 PolarHBondContact OH-OD2 3.15Å; L1073-D1077 PolarHBondContact O-N 2.93Å; A1074-D1077 PolarHBondContact O-N 3.43Å; A1074-D1077 VanDerWaalsContact O-N 3.12Å; V1075-D1077 VanDerWaalsContact C-N 3.3Å; V1075-D1077 PolarHBondContact O-N 3.09Å; D1077-W1079 PolarHBondContact O-N 3.5Å; D1077-W1079 WeakPolarHBondContact OD1-CB 3.29Å; D1077-W1079 PolarHBondContact OD1-N 3.24Å; D1077-H1080 HydrophobicContact CB-CB 4.42Å; D1077-H1080 PolarHBondContact O-N 3.47Å; D1077-H1080 PolarHBondContact OD1-N 2.85Å; D1077-H1080 IonicContact OD1-ND1 2.84Å; D1077-H1080 PolarHBondContact OD1-ND1 3.02Å; D1077-H1080 IonicContact OD2-CE1 3.24Å; D1077-H1080 PolarHBondContact OD2-CE1 3.35Å; D1077-H1080 IonicContact OD2-CG 2.88Å; D1077-H1080 IonicContact OD2-ND1 2.8Å; D1077-H1080 PolarHBondContact OD2-ND1 3.34Å; D1077-A1081 WeakPolarHBondContact O-CB 3.29Å; D1077-A1081 PolarHBondContact O-N 3.44Å; D1077-L1148 HydrophobicContact CB-CD2 4.25Å | ||
| 1078 | S | 88.2 | Confident | 87.6 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 59% | 0.587 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58 | -27.6 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 114.8 | N1076 Q1082 | N1076-S1078 PolarHBondContact O-N 2.73Å; S1078-Q1082 WeakPolarHBondContact O-CB 3.41Å; S1078-Q1082 PolarHBondContact O-N 2.84Å; S1078-Q1082 VanDerWaalsContact O-N 3.11Å |
| 1079 | W | 90.6 | Very high | 88 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 2% | 0.023 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74 | -44.8 | -178.1 | -178.7 | -103.8 | 0 | 0 | 0 | 111.5 | R1016 L1019 I1023 F1050 D1077 Q1082 W1083 | R1016-W1079 HydrophobicContact CB-CD2 4.49Å; R1016-W1079 HydrophobicContact CB-CE3 3.71Å; R1016-W1079 HydrophobicContact CB-CH2 4.3Å; R1016-W1079 HydrophobicContact CB-CZ3 3.6Å; R1016-W1079 HydrophobicContact CG-CD2 3.83Å; R1016-W1079 HydrophobicContact CG-CE3 3.53Å; R1016-W1079 HydrophobicContact CG-CG 4.43Å; R1016-W1079 HydrophobicContact CG-CH2 4.35Å; R1016-W1079 HydrophobicContact CG-CZ3 3.82Å; R1016-W1079 WeakPolarHBondContact O-CZ3 3.38Å; L1019-W1079 HydrophobicContact CB-CH2 3.91Å; L1019-W1079 HydrophobicContact CB-CZ2 4.46Å; I1023-W1079 HydrophobicContact CD1-CH2 4.08Å; I1023-W1079 HydrophobicContact CD1-CZ2 4.1Å; F1050-W1079 AromaticContact CD2-NE1 3.6Å; F1050-W1079 AromaticContact CE2-CD1 3.91Å; F1050-W1079 AromaticContact CE2-NE1 3.81Å; F1050-W1079 PolarHBondContact O-NE1 2.84Å; D1077-W1079 PolarHBondContact O-N 3.5Å; D1077-W1079 WeakPolarHBondContact OD1-CB 3.29Å; D1077-W1079 PolarHBondContact OD1-N 3.24Å; W1079-Q1082 PolarHBondContact O-N 3.01Å; W1079-W1083 AromaticContact CD2-CD1 3.73Å; W1079-W1083 AromaticContact CE2-CD1 3.94Å; W1079-W1083 AromaticContact CE3-CD1 3.51Å; W1079-W1083 AromaticContact CE3-NE1 3.6Å; W1079-W1083 AromaticContact CH2-CD1 3.81Å; W1079-W1083 AromaticContact CH2-NE1 3.75Å; W1079-W1083 AromaticContact CZ3-CD1 3.56Å; W1079-W1083 AromaticContact CZ3-NE1 3.3Å; W1079-W1083 VanDerWaalsContact CZ3-NE1 3.3Å; W1079-W1083 PolarHBondContact O-N 3.46Å |
| 1080 | H | 92.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 173.8 | -71.4 | 87.1 | 0 | 0 | 0 | 111.3 | F1050 D1077 Q1082 L1084 W1135 L1148 | F1050-H1080 AromaticContact CZ-CD2 3.5Å; F1050-H1080 VanDerWaalsContact CZ-CD2 3.5Å; F1050-H1080 WeakPolarHBondContact CZ-CD2 3.37Å; F1050-H1080 AromaticContact CZ-NE2 3.85Å; D1077-H1080 HydrophobicContact CB-CB 4.42Å; D1077-H1080 PolarHBondContact O-N 3.47Å; D1077-H1080 PolarHBondContact OD1-N 2.85Å; D1077-H1080 IonicContact OD1-ND1 2.84Å; D1077-H1080 PolarHBondContact OD1-ND1 3.02Å; D1077-H1080 IonicContact OD2-CE1 3.24Å; D1077-H1080 PolarHBondContact OD2-CE1 3.35Å; D1077-H1080 IonicContact OD2-CG 2.88Å; D1077-H1080 IonicContact OD2-ND1 2.8Å; D1077-H1080 PolarHBondContact OD2-ND1 3.34Å; H1080-Q1082 VanDerWaalsContact C-N 3.25Å; H1080-Q1082 PolarHBondContact O-N 3.49Å; H1080-L1084 HydrophobicContact CB-CB 4.44Å; H1080-L1084 WeakPolarHBondContact O-CB 3.5Å; H1080-L1084 PolarHBondContact O-N 3.42Å; H1080-W1135 AromaticContact CD2-CZ2 3.96Å; H1080-W1135 AromaticContact CD2-NE1 3.85Å; H1080-W1135 AromaticContact NE2-CE2 3.77Å; H1080-W1135 AromaticContact NE2-CZ2 3.81Å; H1080-W1135 AromaticContact NE2-NE1 3.12Å; H1080-W1135 PolarHBondContact NE2-NE1 3.18Å; H1080-W1135 VanDerWaalsContact NE2-NE1 3.12Å; H1080-L1148 HydrophobicContact CB-CD2 4.12Å |
| 1081 | A | 88.1 | Confident | 88.9 | Confident | 54 Ų | 54 | 46 Ų | 46 | 45% | 0.446 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59 | -35.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1077 | D1077-A1081 WeakPolarHBondContact O-CB 3.29Å; D1077-A1081 PolarHBondContact O-N 3.44Å |
| 1082 | Q | 90.5 | Very high | 89.2 | Confident | 111 Ų | 111 | 41 Ų | 41 | 52% | 0.519 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -82 | -40.1 | -177.2 | -171.9 | 176.4 | 9.1 | 0 | 0 | 113.3 | S1078 W1079 H1080 | S1078-Q1082 WeakPolarHBondContact O-CB 3.41Å; S1078-Q1082 PolarHBondContact O-N 2.84Å; S1078-Q1082 VanDerWaalsContact O-N 3.11Å; W1079-Q1082 PolarHBondContact O-N 3.01Å; H1080-Q1082 VanDerWaalsContact C-N 3.25Å; H1080-Q1082 PolarHBondContact O-N 3.49Å |
| 1083 | W | 93.1 | Very high | 89.4 | Confident | 21 Ų | 21 | 40 Ų | 40 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -117.7 | -19.7 | -163.8 | -59.9 | 114 | 0 | 0 | 0 | 115.4 | I1023 L1027 F1050 W1079 P1086 V1087 | I1023-W1083 HydrophobicContact CB-CE3 4.23Å; I1023-W1083 HydrophobicContact CB-CH2 4.41Å; I1023-W1083 HydrophobicContact CB-CZ3 4.16Å; I1023-W1083 HydrophobicContact CG2-CD2 3.87Å; I1023-W1083 HydrophobicContact CG2-CE3 3.31Å; I1023-W1083 HydrophobicContact CG2-CH2 4.26Å; I1023-W1083 HydrophobicContact CG2-CZ3 3.54Å; L1027-W1083 HydrophobicContact CD1-CE3 3.96Å; L1027-W1083 HydrophobicContact CD1-CZ3 3.94Å; F1050-W1083 HydrophobicContact CD2-CB 3.6Å; F1050-W1083 HydrophobicContact CE2-CB 3.96Å; W1079-W1083 AromaticContact CD2-CD1 3.73Å; W1079-W1083 AromaticContact CE2-CD1 3.94Å; W1079-W1083 AromaticContact CE3-CD1 3.51Å; W1079-W1083 AromaticContact CE3-NE1 3.6Å; W1079-W1083 AromaticContact CH2-CD1 3.81Å; W1079-W1083 AromaticContact CH2-NE1 3.75Å; W1079-W1083 AromaticContact CZ3-CD1 3.56Å; W1079-W1083 AromaticContact CZ3-NE1 3.3Å; W1079-W1083 VanDerWaalsContact CZ3-NE1 3.3Å; W1079-W1083 PolarHBondContact O-N 3.46Å; W1083-P1086 WeakPolarHBondContact O-CD 3.35Å; W1083-V1087 VanDerWaalsContact O-CB 3.31Å; W1083-V1087 WeakPolarHBondContact O-CB 3.4Å; W1083-V1087 WeakPolarHBondContact O-CG2 3.36Å; W1083-V1087 PolarHBondContact O-N 2.84Å; W1083-V1087 VanDerWaalsContact O-N 3.09Å |
| 1084 | L | 92.4 | Very high | 89.6 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.8 | -52.7 | -170 | -177.8 | 63.3 | 0 | 0 | 0 | 112.4 | F1050 H1080 I1088 W1135 I1149 H1152 V1153 | F1050-L1084 HydrophobicContact CE1-CD1 3.58Å; F1050-L1084 HydrophobicContact CE2-CB 4.24Å; F1050-L1084 HydrophobicContact CZ-CB 3.89Å; F1050-L1084 HydrophobicContact CZ-CD1 3.49Å; F1050-L1084 VanDerWaalsContact CZ-CD1 3.49Å; F1050-L1084 HydrophobicContact CZ-CG 4.24Å; H1080-L1084 HydrophobicContact CB-CB 4.44Å; H1080-L1084 WeakPolarHBondContact O-CB 3.5Å; H1080-L1084 PolarHBondContact O-N 3.42Å; L1084-I1088 HydrophobicContact CD1-CD1 3.86Å; L1084-I1088 HydrophobicContact CD1-CG1 4.44Å; L1084-I1088 HydrophobicContact CG-CD1 4.05Å; L1084-I1088 WeakPolarHBondContact O-CB 3.4Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.26Å; L1084-I1088 PolarHBondContact O-N 3.11Å; L1084-W1135 HydrophobicContact CD1-CZ2 4.08Å; L1084-I1149 HydrophobicContact CD2-CG1 4.27Å; L1084-H1152 HydrophobicContact CD2-CB 4.21Å; L1084-V1153 HydrophobicContact CB-CG2 4.44Å; L1084-V1153 HydrophobicContact CD2-CG2 3.54Å; L1084-V1153 HydrophobicContact CG-CG2 3.55Å |
| 1085 | E | 91.4 | Very high | 89.7 | Confident | 84 Ų | 84 | 38.7 Ų | 38.7 | 39% | 0.393 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65 | -47.4 | 179.4 | 178.7 | 177 | 148.9 | 0 | 0 | 113.3 | V1087 I1088 N1089 H1152 L1157 | E1085-V1087 VanDerWaalsContact C-N 3.31Å; E1085-V1087 PolarHBondContact O-N 2.85Å; E1085-I1088 PolarHBondContact O-N 3.44Å; E1085-N1089 WeakPolarHBondContact O-CB 3.24Å; E1085-N1089 PolarHBondContact O-N 3.14Å; E1085-H1152 WeakPolarHBondContact CB-O 3.48Å; E1085-L1157 HydrophobicContact CG-CD1 3.72Å |
| 1086 | P | 92 | Very high | 89.7 | Confident | 50 Ų | 50 | 40.4 Ų | 40.4 | 33% | 0.325 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.5 | -41.2 | 176.4 | -27.2 | 34.4 | 0 | 0 | 0 | 113.8 | L1027 W1083 N1089 L1090 | L1027-P1086 HydrophobicContact CD1-CB 3.68Å; L1027-P1086 HydrophobicContact CD2-CB 4.28Å; W1083-P1086 WeakPolarHBondContact O-CD 3.35Å; P1086-N1089 PolarHBondContact O-N 2.9Å; P1086-L1090 PolarHBondContact O-N 2.99Å |
| 1087 | V | 93.1 | Very high | 89.4 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.7 | -42.5 | 177.8 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | I1023 A1046 I1047 F1050 W1083 E1085 N1089 L1090 I1091 | I1023-V1087 HydrophobicContact CG2-CG2 4.45Å; A1046-V1087 HydrophobicContact CB-CG2 4.47Å; I1047-V1087 HydrophobicContact CB-CG1 3.96Å; I1047-V1087 HydrophobicContact CG1-CG1 4.42Å; F1050-V1087 HydrophobicContact CB-CG2 4.2Å; F1050-V1087 HydrophobicContact CG-CG2 4.48Å; W1083-V1087 VanDerWaalsContact O-CB 3.31Å; W1083-V1087 WeakPolarHBondContact O-CB 3.4Å; W1083-V1087 WeakPolarHBondContact O-CG2 3.36Å; W1083-V1087 PolarHBondContact O-N 2.84Å; W1083-V1087 VanDerWaalsContact O-N 3.09Å; E1085-V1087 VanDerWaalsContact C-N 3.31Å; E1085-V1087 PolarHBondContact O-N 2.85Å; V1087-N1089 VanDerWaalsContact C-N 3.34Å; V1087-N1089 PolarHBondContact O-N 3.07Å; V1087-L1090 PolarHBondContact O-N 3.15Å; V1087-I1091 HydrophobicContact CG1-CD1 4.04Å; V1087-I1091 VanDerWaalsContact O-CG1 3.27Å; V1087-I1091 WeakPolarHBondContact O-CG1 3.18Å; V1087-I1091 PolarHBondContact O-N 3.09Å |
| 1088 | I | 91.3 | Very high | 88.6 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 175.5 | -76.4 | 174.6 | 0 | 0 | 0 | 111.2 | L1084 E1085 L1090 I1091 I1092 V1153 L1157 L1161 | L1084-I1088 HydrophobicContact CD1-CD1 3.86Å; L1084-I1088 HydrophobicContact CD1-CG1 4.44Å; L1084-I1088 HydrophobicContact CG-CD1 4.05Å; L1084-I1088 WeakPolarHBondContact O-CB 3.4Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.26Å; L1084-I1088 PolarHBondContact O-N 3.11Å; E1085-I1088 PolarHBondContact O-N 3.44Å; I1088-L1090 PolarHBondContact O-N 2.92Å; I1088-I1091 WeakPolarHBondContact O-CB 3.02Å; I1088-I1091 PolarHBondContact O-N 3.34Å; I1088-I1092 HydrophobicContact CG2-CD1 3.79Å; I1088-I1092 HydrophobicContact CG2-CG1 4.46Å; I1088-I1092 WeakPolarHBondContact O-CG1 3.47Å; I1088-I1092 PolarHBondContact O-N 2.82Å; I1088-V1153 HydrophobicContact CD1-CB 4.47Å; I1088-V1153 HydrophobicContact CD1-CG1 4Å; I1088-V1153 HydrophobicContact CD1-CG2 3.67Å; I1088-V1153 HydrophobicContact CG2-CG1 4.26Å; I1088-L1157 HydrophobicContact CG2-CB 4.4Å; I1088-L1161 HydrophobicContact CD1-CD2 4.46Å; I1088-L1161 HydrophobicContact CG1-CD2 4.31Å; I1088-L1161 HydrophobicContact CG2-CD2 4.15Å |
| 1089 | N | 91.6 | Very high | 87.4 | Confident | 65 Ų | 65 | 42.9 Ų | 42.9 | 35% | 0.348 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 178.6 | -170.2 | 31.5 | 0 | 0 | 0 | 111.4 | E1085 P1086 V1087 I1091 I1092 Q1093 | E1085-N1089 WeakPolarHBondContact O-CB 3.24Å; E1085-N1089 PolarHBondContact O-N 3.14Å; P1086-N1089 PolarHBondContact O-N 2.9Å; V1087-N1089 VanDerWaalsContact C-N 3.34Å; V1087-N1089 PolarHBondContact O-N 3.07Å; N1089-I1091 VanDerWaalsContact C-N 3.35Å; N1089-I1091 PolarHBondContact O-N 3.21Å; N1089-I1092 WeakPolarHBondContact O-CB 3.4Å; N1089-I1092 PolarHBondContact O-N 3.49Å; N1089-Q1093 WeakPolarHBondContact O-CG 3.5Å; N1089-Q1093 PolarHBondContact O-N 2.94Å |
| 1090 | L | 91.9 | Very high | 85.7 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.9 | -42.7 | 174.1 | 169.3 | 57.4 | 0 | 0 | 0 | 112.3 | L1027 V1030 I1042 A1043 A1046 P1086 V1087 I1088 I1092 Q1093 V1094 | L1027-L1090 HydrophobicContact CD2-CB 4.04Å; L1027-L1090 HydrophobicContact CD2-CD2 3.88Å; V1030-L1090 HydrophobicContact CB-CD1 4.19Å; V1030-L1090 HydrophobicContact CG1-CD1 3.91Å; V1030-L1090 HydrophobicContact CG2-CD1 3.53Å; I1042-L1090 HydrophobicContact CG2-CD2 4.07Å; A1043-L1090 HydrophobicContact CB-CD1 4.23Å; A1043-L1090 HydrophobicContact CB-CD2 4.18Å; A1043-L1090 HydrophobicContact CB-CG 3.86Å; A1046-L1090 HydrophobicContact CB-CD2 4.11Å; P1086-L1090 PolarHBondContact O-N 2.99Å; V1087-L1090 PolarHBondContact O-N 3.15Å; I1088-L1090 PolarHBondContact O-N 2.92Å; L1090-I1092 VanDerWaalsContact C-N 3.29Å; L1090-I1092 PolarHBondContact O-N 3.04Å; L1090-Q1093 WeakPolarHBondContact O-CB 3.17Å; L1090-Q1093 PolarHBondContact O-N 3.48Å; L1090-V1094 HydrophobicContact CD1-CG1 3.98Å; L1090-V1094 PolarHBondContact O-N 3.12Å; L1090-V1094 VanDerWaalsContact O-N 3.07Å |
| 1091 | I | 92.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 176.4 | -69.6 | 166.2 | 0 | 0 | 0 | 110.9 | I1047 V1087 I1088 N1089 Q1093 V1094 L1095 L1128 L1161 | I1047-I1091 HydrophobicContact CB-CD1 4.09Å; I1047-I1091 HydrophobicContact CD1-CD1 3.63Å; I1047-I1091 HydrophobicContact CG1-CD1 4.29Å; V1087-I1091 HydrophobicContact CG1-CD1 4.04Å; V1087-I1091 VanDerWaalsContact O-CG1 3.27Å; V1087-I1091 WeakPolarHBondContact O-CG1 3.18Å; V1087-I1091 PolarHBondContact O-N 3.09Å; I1088-I1091 WeakPolarHBondContact O-CB 3.02Å; I1088-I1091 PolarHBondContact O-N 3.34Å; N1089-I1091 VanDerWaalsContact C-N 3.35Å; N1089-I1091 PolarHBondContact O-N 3.21Å; I1091-Q1093 VanDerWaalsContact C-N 3.35Å; I1091-V1094 VanDerWaalsContact O-CG2 3.28Å; I1091-V1094 WeakPolarHBondContact O-CG2 3.31Å; I1091-V1094 PolarHBondContact O-N 3.02Å; I1091-L1095 HydrophobicContact CG2-CD1 3.88Å; I1091-L1095 HydrophobicContact CG2-CG 4.46Å; I1091-L1095 VanDerWaalsContact O-CG 3.23Å; I1091-L1095 WeakPolarHBondContact O-CG 3.36Å; I1091-L1095 PolarHBondContact O-N 2.96Å; I1091-L1095 VanDerWaalsContact O-N 3.14Å; I1091-L1128 HydrophobicContact CD1-CD2 4.35Å; I1091-L1128 HydrophobicContact CG1-CD2 4.03Å; I1091-L1128 HydrophobicContact CG2-CD1 3.86Å; I1091-L1128 HydrophobicContact CG2-CD2 4.1Å; I1091-L1128 HydrophobicContact CG2-CG 4.47Å; I1091-L1161 HydrophobicContact CB-CD1 4.37Å; I1091-L1161 HydrophobicContact CG2-CD1 3.58Å |
| 1092 | I | 88.8 | Confident | 81.8 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 177.6 | -66.8 | 162.8 | 0 | 0 | 0 | 110.2 | I1088 N1089 L1090 V1094 L1095 Y1096 L1157 Q1160 L1161 | I1088-I1092 HydrophobicContact CG2-CD1 3.79Å; I1088-I1092 HydrophobicContact CG2-CG1 4.46Å; I1088-I1092 WeakPolarHBondContact O-CG1 3.47Å; I1088-I1092 PolarHBondContact O-N 2.82Å; N1089-I1092 WeakPolarHBondContact O-CB 3.4Å; N1089-I1092 PolarHBondContact O-N 3.49Å; L1090-I1092 VanDerWaalsContact C-N 3.29Å; L1090-I1092 PolarHBondContact O-N 3.04Å; I1092-V1094 PolarHBondContact O-N 3.45Å; I1092-L1095 PolarHBondContact O-N 2.84Å; I1092-Y1096 HydrophobicContact CG2-CD2 3.96Å; I1092-Y1096 HydrophobicContact CG2-CE2 3.64Å; I1092-Y1096 WeakPolarHBondContact O-CD2 3.04Å; I1092-Y1096 PolarHBondContact O-N 3.28Å; I1092-L1157 HydrophobicContact CD1-CB 4Å; I1092-L1157 HydrophobicContact CD1-CD2 3.93Å; I1092-L1157 VanDerWaalsContact CD1-O 3.31Å; I1092-L1157 WeakPolarHBondContact CD1-O 3.5Å; I1092-Q1160 HydrophobicContact CD1-CB 4.2Å; I1092-Q1160 HydrophobicContact CG2-CB 4.4Å; I1092-L1161 HydrophobicContact CD1-CB 4.16Å; I1092-L1161 HydrophobicContact CG1-CB 4.05Å; I1092-L1161 HydrophobicContact CG1-CD1 4.13Å |
| 1093 | Q | 87.8 | Confident | 79.8 | Confident | 68 Ų | 68 | 59.5 Ų | 59.5 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.3 | -48.9 | 178.5 | -70.3 | 172 | -4.9 | 0 | 0 | 112.3 | N1089 L1090 I1091 L1095 Y1096 D1097 | N1089-Q1093 WeakPolarHBondContact O-CG 3.5Å; N1089-Q1093 PolarHBondContact O-N 2.94Å; L1090-Q1093 WeakPolarHBondContact O-CB 3.17Å; L1090-Q1093 PolarHBondContact O-N 3.48Å; I1091-Q1093 VanDerWaalsContact C-N 3.35Å; Q1093-L1095 VanDerWaalsContact C-N 3.25Å; Q1093-L1095 PolarHBondContact O-N 2.93Å; Q1093-Y1096 WeakPolarHBondContact O-CA 3.37Å; Q1093-Y1096 WeakPolarHBondContact O-CB 3.5Å; Q1093-Y1096 PolarHBondContact O-N 2.85Å; Q1093-D1097 PolarHBondContact O-N 3.45Å |
| 1094 | V | 88.1 | Confident | 77.7 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.8 | -18.1 | -178.9 | -58.5 | 0 | 0 | 0 | 0 | 113.9 | R1039 R1040 A1043 L1090 I1091 I1092 Y1096 D1097 L1124 | R1039-V1094 HydrophobicContact CB-CG1 3.82Å; R1040-V1094 HydrophobicContact CG-CB 4.13Å; A1043-V1094 HydrophobicContact CB-CB 4.24Å; A1043-V1094 HydrophobicContact CB-CG1 3.78Å; A1043-V1094 HydrophobicContact CB-CG2 3.5Å; A1043-V1094 VanDerWaalsContact CB-CG2 3.5Å; L1090-V1094 HydrophobicContact CD1-CG1 3.98Å; L1090-V1094 PolarHBondContact O-N 3.12Å; L1090-V1094 VanDerWaalsContact O-N 3.07Å; I1091-V1094 VanDerWaalsContact O-CG2 3.28Å; I1091-V1094 WeakPolarHBondContact O-CG2 3.31Å; I1091-V1094 PolarHBondContact O-N 3.02Å; I1092-V1094 PolarHBondContact O-N 3.45Å; V1094-Y1096 VanDerWaalsContact C-N 3.29Å; V1094-D1097 WeakPolarHBondContact O-CB 3.4Å; V1094-D1097 PolarHBondContact O-N 3.13Å; V1094-L1124 HydrophobicContact CG2-CD2 4.45Å |
| 1095 | L | 86.6 | Confident | 75.9 | Confident | 18 Ų | 18 | 70.8 Ų | 70.8 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.4 | -20.9 | 169.8 | -72.6 | 169.2 | 0 | 0 | 0 | 111.9 | I1091 I1092 Q1093 L1124 K1125 L1128 L1161 Q1164 L1165 | I1091-L1095 HydrophobicContact CG2-CD1 3.88Å; I1091-L1095 HydrophobicContact CG2-CG 4.46Å; I1091-L1095 VanDerWaalsContact O-CG 3.23Å; I1091-L1095 WeakPolarHBondContact O-CG 3.36Å; I1091-L1095 PolarHBondContact O-N 2.96Å; I1091-L1095 VanDerWaalsContact O-N 3.14Å; I1092-L1095 PolarHBondContact O-N 2.84Å; Q1093-L1095 VanDerWaalsContact C-N 3.25Å; Q1093-L1095 PolarHBondContact O-N 2.93Å; L1095-L1124 HydrophobicContact CD2-CD2 4.26Å; L1095-K1125 HydrophobicContact CD2-CG 3.81Å; L1095-L1128 HydrophobicContact CD1-CD1 4.37Å; L1095-L1128 HydrophobicContact CD2-CD1 3.82Å; L1095-L1128 HydrophobicContact CG-CD1 4.06Å; L1095-L1161 HydrophobicContact CD1-CD1 4.34Å; L1095-Q1164 HydrophobicContact CB-CB 4.14Å; L1095-Q1164 HydrophobicContact CD1-CB 3.89Å; L1095-L1165 HydrophobicContact CD1-CD2 3.81Å; L1095-L1165 HydrophobicContact CD1-CG 4.03Å; L1095-L1165 HydrophobicContact CD2-CD2 4.31Å |
| 1096 | Y | 83 | Confident | 74.2 | Confident | 130 Ų | 130 | 71.8 Ų | 71.8 | 51% | 0.51 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -87 | -7.8 | 170.6 | -78.9 | -70.6 | 0 | 0 | 0 | 113.8 | I1092 Q1093 V1094 E1098 Q1164 | I1092-Y1096 HydrophobicContact CG2-CD2 3.96Å; I1092-Y1096 HydrophobicContact CG2-CE2 3.64Å; I1092-Y1096 WeakPolarHBondContact O-CD2 3.04Å; I1092-Y1096 PolarHBondContact O-N 3.28Å; Q1093-Y1096 WeakPolarHBondContact O-CA 3.37Å; Q1093-Y1096 WeakPolarHBondContact O-CB 3.5Å; Q1093-Y1096 PolarHBondContact O-N 2.85Å; V1094-Y1096 VanDerWaalsContact C-N 3.29Å; Y1096-E1098 PolarHBondContact O-N 2.97Å; Y1096-Q1164 HydrophobicContact CE2-CG 4.27Å; Y1096-Q1164 PolarHBondContact OH-NE2 3.45Å; Y1096-Q1164 VanDerWaalsContact OH-NE2 3.15Å |
| 1097 | D | 78.9 | Confident | 72.6 | Confident | 26 Ų | 26 | 71.2 Ų | 71.2 | 14% | 0.139 | 35% | 0.349 | C | S | . | . | trans | -63.7 | 110 | 175.9 | -79.9 | -21 | 0 | 0 | 0 | 110.1 | R1039 R1040 Q1093 V1094 | R1039-D1097 IonicContact CZ-OD1 3.13Å; R1039-D1097 IonicContact CZ-OD2 2.78Å; R1039-D1097 IonicContact NE-OD1 3.32Å; R1039-D1097 PolarHBondContact NE-OD1 3.39Å; R1039-D1097 IonicContact NE-OD2 2.71Å; R1039-D1097 PolarHBondContact NE-OD2 3.38Å; R1039-D1097 VanDerWaalsContact NE-OD2 3.16Å; R1039-D1097 VanDerWaalsContact NH2-CG 3.33Å; R1039-D1097 IonicContact NH2-OD1 3.8Å; R1039-D1097 PolarHBondContact NH2-OD1 2.96Å; R1039-D1097 IonicContact NH2-OD2 3.86Å; R1040-D1097 PolarHBondContact NH2-O 3.17Å; Q1093-D1097 PolarHBondContact O-N 3.45Å; V1094-D1097 WeakPolarHBondContact O-CB 3.4Å; V1094-D1097 PolarHBondContact O-N 3.13Å | ||
| 1098 | E | 68.5 | Low | 70.9 | Confident | 165 Ų | 165 | 74.5 Ų | 74.5 | 77% | 0.771 | 37% | 0.366 | S | S | * | . | trans | -63.3 | 136.6 | 170.4 | -64.4 | -172.2 | 172.4 | 0 | 0 | 109.5 | Y1096 E1100 | Y1096-E1098 PolarHBondContact O-N 2.97Å; E1098-E1100 VanDerWaalsContact C-N 3.26Å; E1098-E1100 PolarHBondContact O-N 2.91Å | ||
| 1099 | D | 63.1 | Low | 69.4 | Low | 79 Ų | 79 | 77.7 Ų | 77.7 | 42% | 0.422 | 38% | 0.381 | S | S | . | . | trans | -66 | 90.6 | 168.8 | -70.3 | -25.2 | 0 | 0 | 0 | 107 | R1040 V1101 | R1040-D1099 IonicContact CZ-OD1 2.83Å; R1040-D1099 VanDerWaalsContact CZ-OD1 3.24Å; R1040-D1099 IonicContact NH1-OD1 3.59Å; R1040-D1099 PolarHBondContact NH1-OD1 3.18Å; R1040-D1099 IonicContact NH2-OD1 2.78Å; R1040-D1099 PolarHBondContact NH2-OD1 3.49Å; D1099-V1101 PolarHBondContact O-N 3.18Å; D1099-V1101 VanDerWaalsContact O-N 3.14Å | ||
| 1100 | E | 55.2 | Low | 68.4 | Low | 152 Ų | 152 | 75.3 Ų | 75.3 | 71% | 0.71 | 37% | 0.367 | S | S | * | . | trans | -54.6 | 125.5 | 176.7 | -84.4 | -169.5 | 166 | 0 | 0 | 109.2 | Y1036 E1098 F1102 | Y1036-E1100 HydrophobicContact CE1-CB 4.22Å; E1098-E1100 VanDerWaalsContact C-N 3.26Å; E1098-E1100 PolarHBondContact O-N 2.91Å; E1100-F1102 PolarHBondContact O-N 3.28Å | ||
| 1101 | V | 49.5 | Very low | 67.1 | Low | 133 Ų | 133 | 78.5 Ų | 78.5 | 81% | 0.806 | 38% | 0.38 | S | S | * | . | trans | -51.9 | 122.1 | -175.7 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | D1099 T1103 | D1099-V1101 PolarHBondContact O-N 3.18Å; D1099-V1101 VanDerWaalsContact O-N 3.14Å; V1101-T1103 PolarHBondContact O-N 3.31Å | ||
| 1102 | F | 48.8 | Very low | 65.7 | Low | 167 Ų | 167 | 81.9 Ų | 81.9 | 73% | 0.732 | 40% | 0.395 | S | S | * | . | trans | -19.2 | 109.8 | 169.7 | -64.4 | -92.8 | 0 | 0 | 0 | 113.3 | E1100 E1104 | E1100-F1102 PolarHBondContact O-N 3.28Å; F1102-E1104 PolarHBondContact O-N 3.32Å | ||
| 1103 | T | 49.2 | Very low | 64.8 | Low | 68 Ų | 68 | 83.6 Ų | 83.6 | 42% | 0.417 | 40% | 0.403 | S | S | . | . | trans | -56.7 | 124.8 | 161.5 | 45.5 | 0 | 0 | 0 | 0 | 107.9 | V1101 D1105 I1108 Q1109 | V1101-T1103 PolarHBondContact O-N 3.31Å; T1103-D1105 PolarHBondContact O-N 3.22Å; T1103-I1108 HydrophobicContact CG2-CG2 4.21Å; T1103-I1108 WeakPolarHBondContact OG1-CG2 3.43Å; T1103-Q1109 PolarHBondContact O-NE2 2.87Å | ||
| 1104 | E | 49.3 | Very low | 64 | Low | 196 Ų | 196 | 84 Ų | 84 | 92% | 0.916 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -58.9 | -18.9 | -179.4 | -69.5 | -176.3 | 162.6 | 0 | 0 | 113.1 | F1102 E1106 | F1102-E1104 PolarHBondContact O-N 3.32Å; E1104-E1106 PolarHBondContact O-N 2.85Å |
| 1105 | D | 53.8 | Low | 63.5 | Low | 66 Ų | 66 | 84.1 Ų | 84.1 | 35% | 0.353 | 40% | 0.402 | S | S | . | . | trans | -77.9 | 104.5 | 177 | -167.7 | -10.5 | 0 | 0 | 0 | 111.3 | T1103 N1107 I1108 Q1109 | T1103-D1105 PolarHBondContact O-N 3.22Å; D1105-N1107 PolarHBondContact O-N 3.39Å; D1105-N1107 WeakPolarHBondContact OD1-CB 3.42Å; D1105-N1107 PolarHBondContact OD1-N 3.18Å; D1105-N1107 PolarHBondContact OD1-ND2 3.2Å; D1105-I1108 HydrophobicContact CB-CB 4.31Å; D1105-I1108 HydrophobicContact CB-CD1 3.84Å; D1105-I1108 HydrophobicContact CB-CG1 3.89Å; D1105-I1108 PolarHBondContact O-N 2.93Å; D1105-Q1109 PolarHBondContact O-N 3.47Å; D1105-Q1109 VanDerWaalsContact O-N 3.16Å | ||
| 1106 | E | 56.1 | Low | 62.9 | Low | 106 Ų | 106 | 88 Ų | 88 | 50% | 0.495 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -49.2 | -30.3 | 172.1 | -71.4 | -171.3 | 165.9 | 0 | 0 | 112.4 | K833 E1104 Q1109 F1110 | K833-E1106 IonicContact NZ-OE2 3.82Å; E1104-E1106 PolarHBondContact O-N 2.85Å; E1106-Q1109 PolarHBondContact O-N 3.44Å; E1106-F1110 PolarHBondContact O-N 3.17Å |
| 1107 | N | 57.4 | Low | 62.3 | Low | 38 Ų | 38 | 83.9 Ų | 83.9 | 20% | 0.203 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 178.9 | -59.8 | -53.2 | 0 | 0 | 0 | 112.2 | Y825 R829 D1105 Y1111 | Y825-N1107 PolarHBondContact OH-O 2.85Å; R829-N1107 PolarHBondContact NH1-OD1 3.2Å; D1105-N1107 PolarHBondContact O-N 3.39Å; D1105-N1107 WeakPolarHBondContact OD1-CB 3.42Å; D1105-N1107 PolarHBondContact OD1-N 3.18Å; D1105-N1107 PolarHBondContact OD1-ND2 3.2Å; N1107-Y1111 VanDerWaalsContact O-CD2 3.31Å; N1107-Y1111 WeakPolarHBondContact O-CD2 3.34Å; N1107-Y1111 PolarHBondContact O-N 2.65Å |
| 1108 | I | 57.3 | Low | 62.4 | Low | 72 Ų | 72 | 82.8 Ų | 82.8 | 37% | 0.369 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 175.9 | -60.1 | 177 | 0 | 0 | 0 | 109.1 | T1103 D1105 F1110 Y1111 H1112 | T1103-I1108 HydrophobicContact CG2-CG2 4.21Å; T1103-I1108 WeakPolarHBondContact OG1-CG2 3.43Å; D1105-I1108 HydrophobicContact CB-CB 4.31Å; D1105-I1108 HydrophobicContact CB-CD1 3.84Å; D1105-I1108 HydrophobicContact CB-CG1 3.89Å; D1105-I1108 PolarHBondContact O-N 2.93Å; I1108-F1110 PolarHBondContact O-N 3.33Å; I1108-Y1111 WeakPolarHBondContact O-CB 3.25Å; I1108-Y1111 PolarHBondContact O-N 2.98Å; I1108-H1112 PolarHBondContact O-CD2 3.26Å; I1108-H1112 VanDerWaalsContact O-CD2 3.26Å; I1108-H1112 PolarHBondContact O-N 3.5Å |
| 1109 | Q | 60.4 | Low | 62.8 | Low | 73 Ų | 73 | 76.6 Ų | 76.6 | 34% | 0.341 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 177.5 | -64.9 | -174.7 | 6.4 | 0 | 0 | 112.6 | T1103 D1105 E1106 Y1111 H1112 | T1103-Q1109 PolarHBondContact O-NE2 2.87Å; D1105-Q1109 PolarHBondContact O-N 3.47Å; D1105-Q1109 VanDerWaalsContact O-N 3.16Å; E1106-Q1109 PolarHBondContact O-N 3.44Å; Q1109-Y1111 VanDerWaalsContact C-N 3.3Å; Q1109-Y1111 PolarHBondContact O-N 2.96Å; Q1109-H1112 CarbonylContact O-C 3.49Å; Q1109-H1112 PolarHBondContact O-N 3.25Å; Q1109-H1112 VanDerWaalsContact O-N 3.13Å |
| 1110 | F | 70.7 | Confident | 63.6 | Low | 15 Ų | 15 | 75.5 Ų | 75.5 | 7% | 0.066 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.3 | -29.2 | 179.4 | -168.4 | -106.9 | 0 | 0 | 0 | 113 | Y825 L828 R829 H832 I904 I908 E1106 I1108 H1112 F1113 | Y825-F1110 HydrophobicContact CD2-CD1 4.38Å; Y825-F1110 HydrophobicContact CD2-CE1 4.42Å; Y825-F1110 HydrophobicContact CE1-CD1 4.48Å; Y825-F1110 AromaticContact CE2-CD1 3.53Å; Y825-F1110 HydrophobicContact CE2-CD1 3.53Å; Y825-F1110 AromaticContact CE2-CE1 3.96Å; Y825-F1110 HydrophobicContact CE2-CE1 3.96Å; Y825-F1110 AromaticContact CZ-CD1 3.6Å; Y825-F1110 WeakPolarHBondContact OH-CD1 3.12Å; L828-F1110 HydrophobicContact CD2-CE1 4.39Å; L828-F1110 HydrophobicContact CD2-CZ 4.35Å; L828-F1110 HydrophobicContact CG-CE1 4.19Å; L828-F1110 HydrophobicContact CG-CZ 3.97Å; R829-F1110 VanDerWaalsContact CA-CE1 3.44Å; R829-F1110 HydrophobicContact CB-CD1 3.6Å; R829-F1110 HydrophobicContact CB-CE1 3.59Å; R829-F1110 HydrophobicContact CB-CG 4.26Å; R829-F1110 HydrophobicContact CB-CZ 4.24Å; R829-F1110 HydrophobicContact CG-CB 4.39Å; R829-F1110 HydrophobicContact CG-CD1 3.78Å; R829-F1110 HydrophobicContact CG-CE1 4.23Å; R829-F1110 HydrophobicContact CG-CG 3.97Å; H832-F1110 HydrophobicContact CB-CE2 3.67Å; H832-F1110 HydrophobicContact CB-CZ 4.05Å; H832-F1110 AromaticContact CG-CE2 3.57Å; H832-F1110 AromaticContact ND1-CE2 3.84Å; I904-F1110 HydrophobicContact CG2-CE1 4.22Å; I904-F1110 HydrophobicContact CG2-CZ 4.25Å; I908-F1110 HydrophobicContact CD1-CE2 4.18Å; I908-F1110 HydrophobicContact CD1-CZ 3.9Å; E1106-F1110 PolarHBondContact O-N 3.17Å; I1108-F1110 PolarHBondContact O-N 3.33Å; F1110-H1112 PolarHBondContact O-N 3Å; F1110-F1113 HydrophobicContact CE2-CD2 4.32Å; F1110-F1113 PolarHBondContact O-N 2.88Å |
| 1111 | Y | 64.4 | Low | 64.9 | Low | 70 Ų | 70 | 69.1 Ų | 69.1 | 28% | 0.275 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -27.3 | 173 | -94.8 | -66.5 | 0 | 0 | 0 | 112.7 | Y825 K900 I904 N1107 I1108 Q1109 | Y825-Y1111 HydrophobicContact CD1-CE1 4.48Å; Y825-Y1111 HydrophobicContact CD1-CE2 4.16Å; Y825-Y1111 AromaticContact CD1-CZ 3.84Å; Y825-Y1111 HydrophobicContact CD2-CD1 4.34Å; Y825-Y1111 AromaticContact CD2-CE1 3.84Å; Y825-Y1111 HydrophobicContact CD2-CE1 3.84Å; Y825-Y1111 HydrophobicContact CE1-CD2 4Å; Y825-Y1111 HydrophobicContact CE1-CE1 4.24Å; Y825-Y1111 AromaticContact CE1-CE2 3.41Å; Y825-Y1111 HydrophobicContact CE1-CE2 3.41Å; Y825-Y1111 VanDerWaalsContact CE1-CE2 3.41Å; Y825-Y1111 AromaticContact CE1-CZ 3.53Å; Y825-Y1111 AromaticContact CE2-CD1 3.66Å; Y825-Y1111 HydrophobicContact CE2-CD1 3.66Å; Y825-Y1111 HydrophobicContact CE2-CD2 4.14Å; Y825-Y1111 AromaticContact CE2-CE1 3.56Å; Y825-Y1111 HydrophobicContact CE2-CE1 3.56Å; Y825-Y1111 HydrophobicContact CE2-CE2 4.05Å; Y825-Y1111 AromaticContact CE2-CG 3.94Å; Y825-Y1111 HydrophobicContact CE2-CG 3.94Å; Y825-Y1111 AromaticContact CE2-CZ 3.74Å; Y825-Y1111 HydrophobicContact CG-CE1 4.29Å; Y825-Y1111 AromaticContact CZ-CD1 3.88Å; Y825-Y1111 AromaticContact CZ-CD2 3.47Å; Y825-Y1111 VanDerWaalsContact CZ-CD2 3.47Å; Y825-Y1111 AromaticContact CZ-CE1 3.76Å; Y825-Y1111 AromaticContact CZ-CE2 3.33Å; Y825-Y1111 AromaticContact CZ-CG 3.72Å; Y825-Y1111 AromaticContact CZ-CZ 3.47Å; Y825-Y1111 VanDerWaalsContact CZ-CZ 3.47Å; Y825-Y1111 WeakPolarHBondContact OH-CD2 3.46Å; Y825-Y1111 WeakPolarHBondContact OH-CE2 3.3Å; Y825-Y1111 VanDerWaalsContact OH-CG 3.31Å; Y825-Y1111 PolarHBondContact OH-N 3.26Å; Y825-Y1111 VanDerWaalsContact OH-N 3.1Å; K900-Y1111 HydrophobicContact CB-CD1 4.49Å; K900-Y1111 HydrophobicContact CD-CD1 4.49Å; I904-Y1111 HydrophobicContact CD1-CD1 3.81Å; I904-Y1111 HydrophobicContact CD1-CG 4.5Å; I904-Y1111 WeakPolarHBondContact CD1-O 3.32Å; I904-Y1111 WeakPolarHBondContact CG1-O 3.48Å; N1107-Y1111 VanDerWaalsContact O-CD2 3.31Å; N1107-Y1111 WeakPolarHBondContact O-CD2 3.34Å; N1107-Y1111 PolarHBondContact O-N 2.65Å; I1108-Y1111 WeakPolarHBondContact O-CB 3.25Å; I1108-Y1111 PolarHBondContact O-N 2.98Å; Q1109-Y1111 VanDerWaalsContact C-N 3.3Å; Q1109-Y1111 PolarHBondContact O-N 2.96Å |
| 1112 | H | 63.5 | Low | 66.5 | Low | 71 Ų | 71 | 66.8 Ų | 66.8 | 33% | 0.329 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 49.3 | 178.4 | -63.7 | -71.4 | 0 | 0 | 0 | 109.8 | I1108 Q1109 F1110 Y1114 | I1108-H1112 PolarHBondContact O-CD2 3.26Å; I1108-H1112 VanDerWaalsContact O-CD2 3.26Å; I1108-H1112 PolarHBondContact O-N 3.5Å; Q1109-H1112 CarbonylContact O-C 3.49Å; Q1109-H1112 PolarHBondContact O-N 3.25Å; Q1109-H1112 VanDerWaalsContact O-N 3.13Å; F1110-H1112 PolarHBondContact O-N 3Å; H1112-Y1114 HydrophobicContact CB-CD1 4.41Å; H1112-Y1114 HydrophobicContact CB-CE1 3.57Å; H1112-Y1114 WeakPolarHBondContact O-CD1 3.1Å; H1112-Y1114 WeakPolarHBondContact O-CE1 3.42Å; H1112-Y1114 VanDerWaalsContact O-CZ 3.26Å; H1112-Y1114 PolarHBondContact O-N 3.35Å; H1112-Y1114 VanDerWaalsContact O-N 3.17Å |
| 1113 | F | 68.7 | Low | 68.2 | Low | 41 Ų | 41 | 61.9 Ų | 61.9 | 18% | 0.18 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 123.4 | 175.7 | -169 | -87.3 | 0 | 0 | 0 | 110.8 | H832 I904 T907 I908 F1110 | H832-F1113 AromaticContact CD2-CE2 3.97Å; H832-F1113 AromaticContact NE2-CE2 3.52Å; I904-F1113 HydrophobicContact CG2-CB 3.94Å; T907-F1113 HydrophobicContact CG2-CD1 3.84Å; T907-F1113 HydrophobicContact CG2-CE1 4.25Å; I908-F1113 HydrophobicContact CD1-CD2 4.37Å; I908-F1113 HydrophobicContact CD1-CG 4.39Å; I908-F1113 HydrophobicContact CG1-CD1 3.78Å; I908-F1113 HydrophobicContact CG1-CD2 4.19Å; I908-F1113 HydrophobicContact CG1-CE1 3.79Å; I908-F1113 HydrophobicContact CG1-CE2 4.2Å; I908-F1113 HydrophobicContact CG1-CG 3.98Å; I908-F1113 HydrophobicContact CG1-CZ 4Å; F1110-F1113 HydrophobicContact CE2-CD2 4.32Å; F1110-F1113 PolarHBondContact O-N 2.88Å |
| 1114 | Y | 72.1 | Confident | 70 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 30% | 0.302 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 133.1 | -169.2 | -54.2 | -48.9 | 0 | 0 | 0 | 112.3 | I1037 H1112 I1116 | I1037-Y1114 HydrophobicContact CB-CD1 3.68Å; I1037-Y1114 HydrophobicContact CB-CE1 3.78Å; I1037-Y1114 HydrophobicContact CD1-CD1 3.16Å; I1037-Y1114 HydrophobicContact CD1-CD2 3.69Å; I1037-Y1114 HydrophobicContact CD1-CE1 3.1Å; I1037-Y1114 HydrophobicContact CD1-CE2 3.69Å; I1037-Y1114 HydrophobicContact CD1-CG 3.44Å; I1037-Y1114 VanDerWaalsContact CD1-CG 3.44Å; I1037-Y1114 HydrophobicContact CG1-CD1 3.89Å; I1037-Y1114 HydrophobicContact CG1-CE1 3.96Å; I1037-Y1114 HydrophobicContact CG1-CG 4.43Å; I1037-Y1114 HydrophobicContact CG2-CD1 3.41Å; I1037-Y1114 VanDerWaalsContact CG2-CD1 3.41Å; I1037-Y1114 HydrophobicContact CG2-CE1 4.05Å; I1037-Y1114 HydrophobicContact CG2-CG 4.19Å; H1112-Y1114 HydrophobicContact CB-CD1 4.41Å; H1112-Y1114 HydrophobicContact CB-CE1 3.57Å; H1112-Y1114 WeakPolarHBondContact O-CD1 3.1Å; H1112-Y1114 WeakPolarHBondContact O-CE1 3.42Å; H1112-Y1114 VanDerWaalsContact O-CZ 3.26Å; H1112-Y1114 PolarHBondContact O-N 3.35Å; H1112-Y1114 VanDerWaalsContact O-N 3.17Å; Y1114-I1116 PolarHBondContact O-N 2.89Å |
| 1115 | P | 77.9 | Confident | 71.9 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 129.1 | 173.9 | -18.2 | 29.5 | 0 | 0 | 0 | 110.6 | T907 L966 G1117 I1118 S1119 | T907-P1115 HydrophobicContact CG2-CB 4.26Å; T907-P1115 HydrophobicContact CG2-CG 3.86Å; L966-P1115 HydrophobicContact CD1-CB 3.93Å; L966-P1115 HydrophobicContact CD1-CG 3.74Å; P1115-G1117 PolarHBondContact O-N 3.33Å; P1115-I1118 HydrophobicContact CB-CD1 4.34Å; P1115-I1118 HydrophobicContact CB-CG1 3.99Å; P1115-I1118 HydrophobicContact CG-CD1 4.09Å; P1115-I1118 HydrophobicContact CG-CG1 4.22Å; P1115-I1118 PolarHBondContact O-N 3.32Å; P1115-I1118 VanDerWaalsContact O-N 3.09Å; P1115-S1119 PolarHBondContact O-N 2.96Å; P1115-S1119 VanDerWaalsContact O-N 3.12Å |
| 1116 | I | 73.4 | Confident | 73.5 | Confident | 100 Ų | 100 | 52 Ų | 52 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -33.6 | -172.7 | -63.9 | 167.2 | 0 | 0 | 0 | 112.3 | D911 Y1114 I1118 S1119 N1123 | D911-I1116 HydrophobicContact CB-CD1 4.05Å; Y1114-I1116 PolarHBondContact O-N 2.89Å; I1116-I1118 VanDerWaalsContact C-N 3.31Å; I1116-I1118 PolarHBondContact O-N 3.33Å; I1116-S1119 PolarHBondContact O-OG 2.89Å; I1116-N1123 PolarHBondContact O-ND2 3.42Å |
| 1117 | G | 71.2 | Confident | 75 | Confident | 43 Ų | 43 | 48.9 Ų | 48.9 | 44% | 0.443 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -9.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | P1115 N1123 | P1115-G1117 PolarHBondContact O-N 3.33Å; G1117-N1123 CarbonylContact O-C 3.52Å |
| 1118 | I | 80.7 | Confident | 76.6 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.4 | 3.9 | -176.2 | 58.3 | 166.9 | 0 | 0 | 0 | 113.3 | L966 R1040 C1041 V1044 P1115 I1116 T1120 L1124 | L966-I1118 HydrophobicContact CD1-CD1 3.72Å; L966-I1118 HydrophobicContact CD1-CG1 4.45Å; L966-I1118 HydrophobicContact CD2-CD1 4.32Å; R1040-I1118 HydrophobicContact CB-CD1 4.3Å; C1041-I1118 HydrophobicContact CB-CD1 4.15Å; C1041-I1118 WeakPolarHBondContact SG-CD1 3.27Å; V1044-I1118 HydrophobicContact CG2-CG2 3.93Å; P1115-I1118 HydrophobicContact CB-CD1 4.34Å; P1115-I1118 HydrophobicContact CB-CG1 3.99Å; P1115-I1118 HydrophobicContact CG-CD1 4.09Å; P1115-I1118 HydrophobicContact CG-CG1 4.22Å; P1115-I1118 PolarHBondContact O-N 3.32Å; P1115-I1118 VanDerWaalsContact O-N 3.09Å; I1116-I1118 VanDerWaalsContact C-N 3.31Å; I1116-I1118 PolarHBondContact O-N 3.33Å; I1118-T1120 PolarHBondContact O-N 3.44Å; I1118-L1124 HydrophobicContact CB-CD1 4.45Å; I1118-L1124 HydrophobicContact CG2-CD1 4.27Å |
| 1119 | S | 76.8 | Confident | 78.2 | Confident | 34 Ų | 34 | 48 Ų | 48 | 24% | 0.238 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -64.8 | -25 | -174.3 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | P1115 I1116 | P1115-S1119 PolarHBondContact O-N 2.96Å; P1115-S1119 VanDerWaalsContact O-N 3.12Å; I1116-S1119 PolarHBondContact O-OG 2.89Å |
| 1120 | T | 80.1 | Confident | 79.6 | Confident | 57 Ų | 57 | 47.4 Ų | 47.4 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -115.4 | 151.6 | 175.8 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | I1118 N1122 N1123 L1124 | I1118-T1120 PolarHBondContact O-N 3.44Å; T1120-N1122 PolarHBondContact O-N 2.86Å; T1120-N1123 PolarHBondContact O-N 2.96Å; T1120-N1123 VanDerWaalsContact O-N 3.11Å; T1120-N1123 WeakPolarHBondContact OG1-CB 3.39Å; T1120-N1123 PolarHBondContact OG1-N 3.49Å; T1120-N1123 PolarHBondContact OG1-ND2 3.19Å; T1120-L1124 WeakPolarHBondContact O-CB 3.38Å; T1120-L1124 PolarHBondContact O-N 3.49Å |
| 1121 | S | 81.2 | Confident | 80.5 | Confident | 17 Ų | 17 | 47 Ų | 47 | 12% | 0.119 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -49.3 | -41.9 | 170.7 | 165.1 | 0 | 0 | 0 | 0 | 112 | L1124 K1125 E1169 | S1121-L1124 WeakPolarHBondContact O-CB 3.3Å; S1121-L1124 PolarHBondContact O-N 3.37Å; S1121-K1125 WeakPolarHBondContact O-CB 3.37Å; S1121-K1125 WeakPolarHBondContact O-CG 3.49Å; S1121-K1125 PolarHBondContact O-N 3.42Å; S1121-E1169 VanDerWaalsContact CB-OE1 3.22Å; S1121-E1169 WeakPolarHBondContact CB-OE1 3.45Å; S1121-E1169 PolarHBondContact OG-OE1 2.76Å |
| 1122 | N | 83.1 | Confident | 81.7 | Confident | 85 Ų | 85 | 45 Ų | 45 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 178 | -73.8 | -48 | 0 | 0 | 0 | 113.6 | T1120 L1124 K1125 H1126 E1169 | T1120-N1122 PolarHBondContact O-N 2.86Å; N1122-L1124 VanDerWaalsContact C-N 3.34Å; N1122-K1125 PolarHBondContact O-N 3.3Å; N1122-H1126 WeakPolarHBondContact O-CB 3.45Å; N1122-H1126 PolarHBondContact O-N 3.25Å; N1122-E1169 PolarHBondContact ND2-OE2 3.16Å |
| 1123 | N | 85 | Confident | 82.9 | Confident | 64 Ų | 64 | 45.6 Ų | 45.6 | 34% | 0.342 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.7 | -40.3 | 176.2 | -72.4 | -8.4 | 0 | 0 | 0 | 110.8 | I1116 G1117 T1120 H1126 R1127 | I1116-N1123 PolarHBondContact O-ND2 3.42Å; G1117-N1123 CarbonylContact O-C 3.52Å; T1120-N1123 PolarHBondContact O-N 2.96Å; T1120-N1123 VanDerWaalsContact O-N 3.11Å; T1120-N1123 WeakPolarHBondContact OG1-CB 3.39Å; T1120-N1123 PolarHBondContact OG1-N 3.49Å; T1120-N1123 PolarHBondContact OG1-ND2 3.19Å; N1123-H1126 PolarHBondContact O-N 3.4Å; N1123-R1127 WeakPolarHBondContact O-CB 3.26Å; N1123-R1127 PolarHBondContact O-N 3.42Å |
| 1124 | L | 87.4 | Confident | 83.9 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.8 | -53.4 | 174.6 | 177 | 69.1 | 0 | 0 | 0 | 111.4 | R1040 V1044 V1094 L1095 I1118 T1120 S1121 N1122 H1126 R1127 L1128 | R1040-L1124 HydrophobicContact CB-CD1 4.11Å; R1040-L1124 HydrophobicContact CG-CD1 4.15Å; R1040-L1124 HydrophobicContact CG-CD2 3.71Å; V1044-L1124 HydrophobicContact CG2-CD1 3.91Å; V1094-L1124 HydrophobicContact CG2-CD2 4.45Å; L1095-L1124 HydrophobicContact CD2-CD2 4.26Å; I1118-L1124 HydrophobicContact CB-CD1 4.45Å; I1118-L1124 HydrophobicContact CG2-CD1 4.27Å; T1120-L1124 WeakPolarHBondContact O-CB 3.38Å; T1120-L1124 PolarHBondContact O-N 3.49Å; S1121-L1124 WeakPolarHBondContact O-CB 3.3Å; S1121-L1124 PolarHBondContact O-N 3.37Å; N1122-L1124 VanDerWaalsContact C-N 3.34Å; L1124-H1126 VanDerWaalsContact C-N 3.3Å; L1124-H1126 PolarHBondContact O-N 2.88Å; L1124-R1127 PolarHBondContact O-N 3.32Å; L1124-R1127 VanDerWaalsContact O-N 3.12Å; L1124-L1128 HydrophobicContact CD1-CD1 3.84Å; L1124-L1128 HydrophobicContact CD1-CG 4.09Å; L1124-L1128 HydrophobicContact CD2-CD1 4.38Å; L1124-L1128 HydrophobicContact CG-CD1 3.75Å; L1124-L1128 HydrophobicContact CG-CG 4.37Å; L1124-L1128 WeakPolarHBondContact O-CB 3.5Å; L1124-L1128 WeakPolarHBondContact O-CG 3.22Å; L1124-L1128 PolarHBondContact O-N 3.39Å |
| 1125 | K | 88.4 | Confident | 84.8 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.2 | -45.4 | 177.4 | -75.8 | 174.6 | 180 | 175 | 0 | 110.9 | L1095 S1121 N1122 R1127 L1128 R1129 Q1167 E1169 | L1095-K1125 HydrophobicContact CD2-CG 3.81Å; S1121-K1125 WeakPolarHBondContact O-CB 3.37Å; S1121-K1125 WeakPolarHBondContact O-CG 3.49Å; S1121-K1125 PolarHBondContact O-N 3.42Å; N1122-K1125 PolarHBondContact O-N 3.3Å; K1125-R1127 PolarHBondContact O-N 2.97Å; K1125-L1128 PolarHBondContact O-N 2.86Å; K1125-R1129 WeakPolarHBondContact O-CB 3.38Å; K1125-R1129 VanDerWaalsContact O-CG 3.27Å; K1125-R1129 WeakPolarHBondContact O-CG 3.35Å; K1125-R1129 PolarHBondContact O-N 2.69Å; K1125-Q1167 PolarHBondContact NZ-O 3.19Å; K1125-Q1167 VanDerWaalsContact NZ-O 3.07Å; K1125-E1169 IonicContact NZ-OE1 3.95Å |
| 1126 | H | 87.8 | Confident | 85.3 | Confident | 107 Ų | 107 | 46.4 Ų | 46.4 | 50% | 0.495 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 177.1 | -174.8 | 60.2 | 0 | 0 | 0 | 111.8 | N1122 N1123 L1124 R1129 N1130 | N1122-H1126 WeakPolarHBondContact O-CB 3.45Å; N1122-H1126 PolarHBondContact O-N 3.25Å; N1123-H1126 PolarHBondContact O-N 3.4Å; L1124-H1126 VanDerWaalsContact C-N 3.3Å; L1124-H1126 PolarHBondContact O-N 2.88Å; H1126-R1129 PolarHBondContact O-N 3.09Å; H1126-N1130 PolarHBondContact CD2-ND2 2.88Å; H1126-N1130 PolarHBondContact CE1-ND2 3.45Å; H1126-N1130 PolarHBondContact NE2-ND2 3.04Å; H1126-N1130 PolarHBondContact O-N 3.47Å; H1126-N1130 PolarHBondContact O-ND2 3.41Å |
| 1127 | R | 88 | Confident | 85.9 | Confident | 41 Ų | 41 | 47 Ų | 47 | 16% | 0.155 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 179.4 | -176.2 | 59.6 | -171.9 | -129.2 | -2.3 | 112.3 | L966 V1044 N1123 L1124 K1125 N1130 E1131 | L966-R1127 PolarHBondContact O-NH1 3.47Å; L966-R1127 PolarHBondContact O-NH2 3.29Å; V1044-R1127 HydrophobicContact CG1-CG 3.83Å; V1044-R1127 HydrophobicContact CG2-CG 4.31Å; N1123-R1127 WeakPolarHBondContact O-CB 3.26Å; N1123-R1127 PolarHBondContact O-N 3.42Å; L1124-R1127 PolarHBondContact O-N 3.32Å; L1124-R1127 VanDerWaalsContact O-N 3.12Å; K1125-R1127 PolarHBondContact O-N 2.97Å; R1127-N1130 PolarHBondContact O-N 2.79Å; R1127-E1131 IonicContact CZ-OE1 3.25Å; R1127-E1131 VanDerWaalsContact CZ-OE1 3.25Å; R1127-E1131 IonicContact NE-OE1 3.02Å; R1127-E1131 PolarHBondContact NE-OE1 3.38Å; R1127-E1131 IonicContact NH2-OE1 2.68Å; R1127-E1131 PolarHBondContact NH2-OE1 3.21Å; R1127-E1131 PolarHBondContact O-N 2.89Å |
| 1128 | L | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 178.4 | -70.5 | 169.6 | 0 | 0 | 0 | 111.9 | V1044 I1047 I1091 L1095 L1124 K1125 N1130 E1131 L1132 L1165 | V1044-L1128 HydrophobicContact CG2-CD2 3.97Å; V1044-L1128 HydrophobicContact CG2-CG 4.43Å; I1047-L1128 HydrophobicContact CG2-CD2 4.36Å; I1091-L1128 HydrophobicContact CD1-CD2 4.35Å; I1091-L1128 HydrophobicContact CG1-CD2 4.03Å; I1091-L1128 HydrophobicContact CG2-CD1 3.86Å; I1091-L1128 HydrophobicContact CG2-CD2 4.1Å; I1091-L1128 HydrophobicContact CG2-CG 4.47Å; L1095-L1128 HydrophobicContact CD1-CD1 4.37Å; L1095-L1128 HydrophobicContact CD2-CD1 3.82Å; L1095-L1128 HydrophobicContact CG-CD1 4.06Å; L1124-L1128 HydrophobicContact CD1-CD1 3.84Å; L1124-L1128 HydrophobicContact CD1-CG 4.09Å; L1124-L1128 HydrophobicContact CD2-CD1 4.38Å; L1124-L1128 HydrophobicContact CG-CD1 3.75Å; L1124-L1128 HydrophobicContact CG-CG 4.37Å; L1124-L1128 WeakPolarHBondContact O-CB 3.5Å; L1124-L1128 WeakPolarHBondContact O-CG 3.22Å; L1124-L1128 PolarHBondContact O-N 3.39Å; K1125-L1128 PolarHBondContact O-N 2.86Å; L1128-N1130 VanDerWaalsContact C-N 3.3Å; L1128-N1130 PolarHBondContact O-N 3.08Å; L1128-E1131 PolarHBondContact O-N 2.7Å; L1128-L1132 WeakPolarHBondContact O-CB 3.34Å; L1128-L1132 WeakPolarHBondContact O-CG 3.45Å; L1128-L1132 PolarHBondContact O-N 3.44Å; L1128-L1165 HydrophobicContact CB-CD2 4.08Å; L1128-L1165 HydrophobicContact CD1-CD2 4.5Å |
| 1129 | R | 89.4 | Confident | 86.9 | Confident | 92 Ų | 92 | 48 Ų | 48 | 35% | 0.347 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 172.8 | -73.7 | 179.6 | -166.8 | 152.5 | -3.9 | 111.3 | K1125 H1126 L1132 N1133 L1165 | K1125-R1129 WeakPolarHBondContact O-CB 3.38Å; K1125-R1129 VanDerWaalsContact O-CG 3.27Å; K1125-R1129 WeakPolarHBondContact O-CG 3.35Å; K1125-R1129 PolarHBondContact O-N 2.69Å; H1126-R1129 PolarHBondContact O-N 3.09Å; R1129-L1132 PolarHBondContact O-N 3.08Å; R1129-N1133 WeakPolarHBondContact O-CB 3.35Å; R1129-N1133 PolarHBondContact O-N 3.45Å; R1129-N1133 PolarHBondContact O-ND2 3.27Å; R1129-L1165 HydrophobicContact CG-CD2 4.27Å; R1129-L1165 PolarHBondContact NE-O 3.47Å; R1129-L1165 PolarHBondContact NH2-O 3.17Å |
| 1130 | N | 90.2 | Very high | 87 | Confident | 61 Ų | 61 | 48.3 Ų | 48.3 | 33% | 0.326 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 178.2 | -68.6 | -16.1 | 0 | 0 | 0 | 111.9 | H1126 R1127 L1128 N1133 L1134 | H1126-N1130 PolarHBondContact CD2-ND2 2.88Å; H1126-N1130 PolarHBondContact CE1-ND2 3.45Å; H1126-N1130 PolarHBondContact NE2-ND2 3.04Å; H1126-N1130 PolarHBondContact O-N 3.47Å; H1126-N1130 PolarHBondContact O-ND2 3.41Å; R1127-N1130 PolarHBondContact O-N 2.79Å; L1128-N1130 VanDerWaalsContact C-N 3.3Å; L1128-N1130 PolarHBondContact O-N 3.08Å; N1130-N1133 PolarHBondContact O-N 3.28Å; N1130-L1134 WeakPolarHBondContact O-CB 3.33Å; N1130-L1134 WeakPolarHBondContact O-CG 3.24Å; N1130-L1134 PolarHBondContact O-N 3.19Å |
| 1131 | E | 90.2 | Very high | 87 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 2% | 0.023 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 177.5 | -67.1 | -62.5 | 158.6 | 0 | 0 | 112.3 | I1047 R1051 R1127 L1128 L1134 W1135 | I1047-E1131 HydrophobicContact CD1-CB 3.94Å; I1047-E1131 HydrophobicContact CG1-CB 4.14Å; I1047-E1131 HydrophobicContact CG2-CB 3.96Å; I1047-E1131 HydrophobicContact CG2-CG 4.17Å; R1051-E1131 IonicContact CZ-OE2 2.71Å; R1051-E1131 VanDerWaalsContact CZ-OE2 3.32Å; R1051-E1131 IonicContact NE-OE2 2.76Å; R1051-E1131 PolarHBondContact NE-OE2 2.95Å; R1051-E1131 IonicContact NH2-OE2 3.68Å; R1051-E1131 PolarHBondContact NH2-OE2 3.08Å; R1127-E1131 IonicContact CZ-OE1 3.25Å; R1127-E1131 VanDerWaalsContact CZ-OE1 3.25Å; R1127-E1131 IonicContact NE-OE1 3.02Å; R1127-E1131 PolarHBondContact NE-OE1 3.38Å; R1127-E1131 IonicContact NH2-OE1 2.68Å; R1127-E1131 PolarHBondContact NH2-OE1 3.21Å; R1127-E1131 PolarHBondContact O-N 2.89Å; L1128-E1131 PolarHBondContact O-N 2.7Å; E1131-L1134 PolarHBondContact O-N 3.17Å; E1131-W1135 WeakPolarHBondContact O-CB 3.42Å; E1131-W1135 PolarHBondContact O-N 2.94Å |
| 1132 | L | 89.5 | Confident | 87.1 | Confident | 30 Ų | 30 | 49.7 Ų | 49.7 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67 | -42.3 | 174.8 | -74.1 | 168.3 | 0 | 0 | 0 | 112.3 | I1047 L1128 R1129 W1135 Q1136 L1161 L1165 | I1047-L1132 HydrophobicContact CD1-CD2 3.53Å; I1047-L1132 HydrophobicContact CD1-CG 3.63Å; L1128-L1132 WeakPolarHBondContact O-CB 3.34Å; L1128-L1132 WeakPolarHBondContact O-CG 3.45Å; L1128-L1132 PolarHBondContact O-N 3.44Å; R1129-L1132 PolarHBondContact O-N 3.08Å; L1132-W1135 WeakPolarHBondContact O-CB 3.4Å; L1132-W1135 PolarHBondContact O-N 3.18Å; L1132-Q1136 WeakPolarHBondContact O-CB 3.4Å; L1132-Q1136 PolarHBondContact O-N 3.06Å; L1132-L1161 HydrophobicContact CD1-CD2 4.33Å; L1132-L1165 HydrophobicContact CD1-CD1 3.42Å; L1132-L1165 VanDerWaalsContact CD1-CD1 3.42Å |
| 1133 | N | 88.8 | Confident | 87.1 | Confident | 82 Ų | 82 | 48.9 Ų | 48.9 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 174.7 | -71 | -21.3 | 0 | 0 | 0 | 111 | R1129 N1130 W1135 Q1136 D1137 | R1129-N1133 WeakPolarHBondContact O-CB 3.35Å; R1129-N1133 PolarHBondContact O-N 3.45Å; R1129-N1133 PolarHBondContact O-ND2 3.27Å; N1130-N1133 PolarHBondContact O-N 3.28Å; N1133-W1135 VanDerWaalsContact C-N 3.29Å; N1133-W1135 PolarHBondContact O-N 3.47Å; N1133-Q1136 WeakPolarHBondContact O-CB 3.1Å; N1133-Q1136 PolarHBondContact O-N 3.43Å; N1133-D1137 VanDerWaalsContact O-CG 3.29Å; N1133-D1137 PolarHBondContact O-N 3.25Å |
| 1134 | L | 89 | Confident | 87.1 | Confident | 72 Ų | 72 | 46.1 Ų | 46.1 | 38% | 0.377 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.6 | -35.6 | 176.1 | -72.7 | 172.6 | 0 | 0 | 0 | 112.2 | N1130 E1131 Q1138 | N1130-L1134 WeakPolarHBondContact O-CB 3.33Å; N1130-L1134 WeakPolarHBondContact O-CG 3.24Å; N1130-L1134 PolarHBondContact O-N 3.19Å; E1131-L1134 PolarHBondContact O-N 3.17Å; L1134-Q1138 WeakPolarHBondContact O-CB 3.42Å; L1134-Q1138 VanDerWaalsContact O-CG 3.32Å; L1134-Q1138 WeakPolarHBondContact O-CG 3.1Å; L1134-Q1138 PolarHBondContact O-N 3.45Å |
| 1135 | W | 91.3 | Very high | 87.1 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -48.3 | 173 | 165 | 77.8 | 0 | 0 | 0 | 110.8 | F1050 R1051 H1080 L1084 E1131 L1132 N1133 D1137 Q1138 V1139 A1145 I1149 | F1050-W1135 AromaticContact CE1-CD1 3.61Å; F1050-W1135 HydrophobicContact CE1-CG 4.37Å; F1050-W1135 AromaticContact CE1-NE1 3.39Å; F1050-W1135 AromaticContact CZ-NE1 3.79Å; R1051-W1135 HydrophobicContact CB-CB 4.33Å; R1051-W1135 HydrophobicContact CG-CB 4.07Å; H1080-W1135 AromaticContact CD2-CZ2 3.96Å; H1080-W1135 AromaticContact CD2-NE1 3.85Å; H1080-W1135 AromaticContact NE2-CE2 3.77Å; H1080-W1135 AromaticContact NE2-CZ2 3.81Å; H1080-W1135 AromaticContact NE2-NE1 3.12Å; H1080-W1135 PolarHBondContact NE2-NE1 3.18Å; H1080-W1135 VanDerWaalsContact NE2-NE1 3.12Å; L1084-W1135 HydrophobicContact CD1-CZ2 4.08Å; E1131-W1135 WeakPolarHBondContact O-CB 3.42Å; E1131-W1135 PolarHBondContact O-N 2.94Å; L1132-W1135 WeakPolarHBondContact O-CB 3.4Å; L1132-W1135 PolarHBondContact O-N 3.18Å; N1133-W1135 VanDerWaalsContact C-N 3.29Å; N1133-W1135 PolarHBondContact O-N 3.47Å; W1135-D1137 VanDerWaalsContact C-N 3.31Å; W1135-D1137 PolarHBondContact O-N 2.94Å; W1135-Q1138 PolarHBondContact O-N 3Å; W1135-Q1138 VanDerWaalsContact O-N 3.14Å; W1135-V1139 HydrophobicContact CZ2-CG2 4.24Å; W1135-V1139 WeakPolarHBondContact O-CG2 3.35Å; W1135-V1139 PolarHBondContact O-N 3.43Å; W1135-A1145 HydrophobicContact CH2-CB 3.76Å; W1135-A1145 HydrophobicContact CZ3-CB 3.82Å; W1135-I1149 HydrophobicContact CH2-CD1 3.72Å; W1135-I1149 HydrophobicContact CH2-CG1 3.75Å; W1135-I1149 HydrophobicContact CZ3-CD1 3.79Å; W1135-I1149 HydrophobicContact CZ3-CG1 4.32Å |
| 1136 | Q | 88.1 | Confident | 86.9 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 27% | 0.271 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.5 | -40.2 | 176.9 | 179.7 | 175.6 | -2.6 | 0 | 0 | 112.5 | L1132 N1133 G1140 P1142 A1145 | L1132-Q1136 WeakPolarHBondContact O-CB 3.4Å; L1132-Q1136 PolarHBondContact O-N 3.06Å; N1133-Q1136 WeakPolarHBondContact O-CB 3.1Å; N1133-Q1136 PolarHBondContact O-N 3.43Å; Q1136-G1140 PolarHBondContact O-N 3.2Å; Q1136-P1142 VanDerWaalsContact NE2-CA 3.29Å; Q1136-P1142 VanDerWaalsContact NE2-CG 3.33Å; Q1136-A1145 HydrophobicContact CB-CB 4.27Å; Q1136-A1145 HydrophobicContact CG-CB 3.85Å |
| 1137 | D | 86 | Confident | 86.8 | Confident | 113 Ų | 113 | 43.5 Ų | 43.5 | 60% | 0.604 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.7 | -40.3 | 175.1 | -70.9 | -22 | 0 | 0 | 0 | 111.9 | N1133 W1135 G1140 | N1133-D1137 VanDerWaalsContact O-CG 3.29Å; N1133-D1137 PolarHBondContact O-N 3.25Å; W1135-D1137 VanDerWaalsContact C-N 3.31Å; W1135-D1137 PolarHBondContact O-N 2.94Å; D1137-G1140 WeakPolarHBondContact O-CA 3.45Å; D1137-G1140 PolarHBondContact O-N 2.96Å |
| 1138 | Q | 86.7 | Confident | 86.9 | Confident | 66 Ų | 66 | 41.6 Ų | 41.6 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.7 | -36.3 | -180 | -80.3 | -175.9 | -12.2 | 0 | 0 | 113.4 | R1051 S1056 L1134 W1135 G1140 | R1051-Q1138 PolarHBondContact O-OE1 3.4Å; S1056-Q1138 VanDerWaalsContact CA-O 3.29Å; S1056-Q1138 WeakPolarHBondContact CA-O 3.36Å; S1056-Q1138 WeakPolarHBondContact CB-O 3.41Å; S1056-Q1138 PolarHBondContact OG-O 3.28Å; L1134-Q1138 WeakPolarHBondContact O-CB 3.42Å; L1134-Q1138 VanDerWaalsContact O-CG 3.32Å; L1134-Q1138 WeakPolarHBondContact O-CG 3.1Å; L1134-Q1138 PolarHBondContact O-N 3.45Å; W1135-Q1138 PolarHBondContact O-N 3Å; W1135-Q1138 VanDerWaalsContact O-N 3.14Å; Q1138-G1140 PolarHBondContact O-N 3.24Å |
| 1139 | V | 86.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.3 | -30.8 | 172.3 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | V1054 Y1057 W1135 I1144 L1148 | V1054-V1139 HydrophobicContact CG1-CB 4.49Å; V1054-V1139 HydrophobicContact CG1-CG2 3.62Å; Y1057-V1139 WeakPolarHBondContact CB-O 3.34Å; Y1057-V1139 HydrophobicContact CD2-CG1 3.83Å; Y1057-V1139 WeakPolarHBondContact CD2-O 3.3Å; Y1057-V1139 HydrophobicContact CE2-CG1 4.24Å; Y1057-V1139 PolarHBondContact N-O 3.42Å; W1135-V1139 HydrophobicContact CZ2-CG2 4.24Å; W1135-V1139 WeakPolarHBondContact O-CG2 3.35Å; W1135-V1139 PolarHBondContact O-N 3.43Å; V1139-I1144 HydrophobicContact CG1-CB 3.71Å; V1139-I1144 HydrophobicContact CG1-CG2 3.32Å; V1139-L1148 HydrophobicContact CG1-CD1 3.71Å; V1139-L1148 HydrophobicContact CG2-CD1 4.09Å |
| 1140 | G | 80.2 | Confident | 86.5 | Confident | 41 Ų | 41 | 45.3 Ų | 45.3 | 42% | 0.423 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 117.4 | -25.3 | 170 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q1136 D1137 Q1138 | Q1136-G1140 PolarHBondContact O-N 3.2Å; D1137-G1140 WeakPolarHBondContact O-CA 3.45Å; D1137-G1140 PolarHBondContact O-N 2.96Å; Q1138-G1140 PolarHBondContact O-N 3.24Å |
| 1141 | C | 79.7 | Confident | 86.4 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 17% | 0.169 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -162.7 | 159.4 | 167.1 | 74.8 | 0 | 0 | 0 | 0 | 113.1 | L1064 T1143 I1144 A1145 | L1064-C1141 WeakPolarHBondContact CD2-SG 3.27Å; C1141-T1143 VanDerWaalsContact C-N 3.28Å; C1141-T1143 PolarHBondContact O-N 3.41Å; C1141-I1144 PolarHBondContact O-N 3.45Å; C1141-I1144 WeakPolarHBondContact SG-CD1 3.49Å; C1141-I1144 WeakPolarHBondContact SG-CG1 3.43Å; C1141-A1145 PolarHBondContact O-N 2.59Å |
| 1142 | P | 82.9 | Confident | 86.3 | Confident | 78 Ų | 78 | 46.2 Ų | 46.2 | 51% | 0.506 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -52.7 | -38.5 | 174.9 | -28.8 | 35.4 | 0 | 0 | 0 | 115.5 | Q1136 I1144 A1145 D1146 | Q1136-P1142 VanDerWaalsContact NE2-CA 3.29Å; Q1136-P1142 VanDerWaalsContact NE2-CG 3.33Å; P1142-I1144 PolarHBondContact O-N 2.87Å; P1142-A1145 PolarHBondContact O-N 2.95Å; P1142-D1146 WeakPolarHBondContact O-CB 3.38Å; P1142-D1146 PolarHBondContact O-N 3.48Å |
| 1143 | T | 83.7 | Confident | 86.3 | Confident | 69 Ų | 69 | 45.1 Ų | 45.1 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.4 | -37.6 | -175 | -50.8 | 0 | 0 | 0 | 0 | 112 | L1064 L1070 C1141 A1147 | L1064-T1143 HydrophobicContact CD2-CG2 4.27Å; L1070-T1143 HydrophobicContact CD1-CG2 4.03Å; C1141-T1143 VanDerWaalsContact C-N 3.28Å; C1141-T1143 PolarHBondContact O-N 3.41Å; T1143-A1147 PolarHBondContact O-N 3.46Å |
| 1144 | I | 84.7 | Confident | 86.1 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.2 | -41.2 | 176.3 | -60.4 | 160.9 | 0 | 0 | 0 | 110.1 | Y1057 I1059 L1064 L1070 V1139 C1141 P1142 D1146 A1147 L1148 | Y1057-I1144 HydrophobicContact CD2-CG2 3.9Å; Y1057-I1144 HydrophobicContact CE2-CG2 4.28Å; Y1057-I1144 HydrophobicContact CG-CD1 4.5Å; Y1057-I1144 HydrophobicContact CG-CG2 4.33Å; I1059-I1144 HydrophobicContact CB-CD1 4.18Å; I1059-I1144 HydrophobicContact CD1-CD1 3.22Å; I1059-I1144 HydrophobicContact CD1-CG1 3.57Å; I1059-I1144 HydrophobicContact CG1-CD1 3.6Å; I1059-I1144 HydrophobicContact CG1-CG1 4.45Å; L1064-I1144 HydrophobicContact CD2-CG1 4.39Å; L1070-I1144 HydrophobicContact CD2-CG1 3.99Å; V1139-I1144 HydrophobicContact CG1-CB 3.71Å; V1139-I1144 HydrophobicContact CG1-CG2 3.32Å; C1141-I1144 PolarHBondContact O-N 3.45Å; C1141-I1144 WeakPolarHBondContact SG-CD1 3.49Å; C1141-I1144 WeakPolarHBondContact SG-CG1 3.43Å; P1142-I1144 PolarHBondContact O-N 2.87Å; I1144-D1146 VanDerWaalsContact C-N 3.28Å; I1144-D1146 PolarHBondContact O-N 2.92Å; I1144-A1147 WeakPolarHBondContact O-CB 3.47Å; I1144-A1147 PolarHBondContact O-N 3.24Å; I1144-A1147 VanDerWaalsContact O-N 3.11Å; I1144-L1148 HydrophobicContact CG2-CD1 4.01Å; I1144-L1148 HydrophobicContact CG2-CG 4.35Å; I1144-L1148 WeakPolarHBondContact O-CG 3.38Å; I1144-L1148 PolarHBondContact O-N 3.09Å |
| 1145 | A | 86.4 | Confident | 85.9 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W1135 Q1136 C1141 P1142 L1148 I1149 | W1135-A1145 HydrophobicContact CH2-CB 3.76Å; W1135-A1145 HydrophobicContact CZ3-CB 3.82Å; Q1136-A1145 HydrophobicContact CB-CB 4.27Å; Q1136-A1145 HydrophobicContact CG-CB 3.85Å; C1141-A1145 PolarHBondContact O-N 2.59Å; P1142-A1145 PolarHBondContact O-N 2.95Å; A1145-L1148 PolarHBondContact O-N 2.71Å; A1145-I1149 WeakPolarHBondContact O-CG1 3.42Å; A1145-I1149 PolarHBondContact O-N 3.5Å |
| 1146 | D | 85.8 | Confident | 85.5 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 24% | 0.241 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 173.5 | -174.9 | 56.2 | 0 | 0 | 0 | 112.5 | P1142 I1144 K1150 R1158 | P1142-D1146 WeakPolarHBondContact O-CB 3.38Å; P1142-D1146 PolarHBondContact O-N 3.48Å; I1144-D1146 VanDerWaalsContact C-N 3.28Å; I1144-D1146 PolarHBondContact O-N 2.92Å; D1146-K1150 WeakPolarHBondContact O-CB 3.44Å; D1146-K1150 VanDerWaalsContact O-CG 3.28Å; D1146-K1150 WeakPolarHBondContact O-CG 3.33Å; D1146-K1150 PolarHBondContact O-N 3.49Å; D1146-K1150 IonicContact OD1-NZ 3.79Å; D1146-K1150 WeakPolarHBondContact OD2-CE 3.43Å; D1146-K1150 IonicContact OD2-NZ 2.69Å; D1146-K1150 PolarHBondContact OD2-NZ 3.09Å; D1146-R1158 IonicContact OD1-CZ 3.92Å; D1146-R1158 IonicContact OD1-NH1 2.8Å; D1146-R1158 PolarHBondContact OD1-NH1 3.46Å; D1146-R1158 IonicContact OD1-NH2 3.66Å; D1146-R1158 PolarHBondContact OD1-NH2 2.98Å |
| 1147 | A | 85.7 | Confident | 85.4 | Confident | 17 Ų | 17 | 46.7 Ų | 46.7 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1070 T1143 I1144 K1150 C1151 | L1070-A1147 HydrophobicContact CB-CB 4.24Å; T1143-A1147 PolarHBondContact O-N 3.46Å; I1144-A1147 WeakPolarHBondContact O-CB 3.47Å; I1144-A1147 PolarHBondContact O-N 3.24Å; I1144-A1147 VanDerWaalsContact O-N 3.11Å; A1147-K1150 PolarHBondContact O-N 3.27Å; A1147-C1151 VanDerWaalsContact O-CB 3.31Å; A1147-C1151 WeakPolarHBondContact O-CB 3.48Å; A1147-C1151 PolarHBondContact O-N 3.35Å |
| 1148 | L | 88.7 | Confident | 85.2 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 176.4 | -72 | 165.7 | 0 | 0 | 0 | 111.9 | Y1057 A1074 D1077 H1080 V1139 I1144 A1145 C1151 H1152 | Y1057-L1148 HydrophobicContact CE2-CD1 4.25Å; A1074-L1148 HydrophobicContact CB-CD2 3.91Å; D1077-L1148 HydrophobicContact CB-CD2 4.25Å; H1080-L1148 HydrophobicContact CB-CD2 4.12Å; V1139-L1148 HydrophobicContact CG1-CD1 3.71Å; V1139-L1148 HydrophobicContact CG2-CD1 4.09Å; I1144-L1148 HydrophobicContact CG2-CD1 4.01Å; I1144-L1148 HydrophobicContact CG2-CG 4.35Å; I1144-L1148 WeakPolarHBondContact O-CG 3.38Å; I1144-L1148 PolarHBondContact O-N 3.09Å; A1145-L1148 PolarHBondContact O-N 2.71Å; L1148-C1151 PolarHBondContact O-N 2.84Å; L1148-H1152 PolarHBondContact O-N 2.89Å |
| 1149 | I | 87.2 | Confident | 85.1 | Confident | 29 Ų | 29 | 46 Ų | 46 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 175.1 | -72 | 166.6 | 0 | 0 | 0 | 110.4 | L1084 W1135 A1145 C1151 H1152 V1153 R1158 | L1084-I1149 HydrophobicContact CD2-CG1 4.27Å; W1135-I1149 HydrophobicContact CH2-CD1 3.72Å; W1135-I1149 HydrophobicContact CH2-CG1 3.75Å; W1135-I1149 HydrophobicContact CZ3-CD1 3.79Å; W1135-I1149 HydrophobicContact CZ3-CG1 4.32Å; A1145-I1149 WeakPolarHBondContact O-CG1 3.42Å; A1145-I1149 PolarHBondContact O-N 3.5Å; I1149-C1151 PolarHBondContact O-N 3.44Å; I1149-H1152 PolarHBondContact O-N 3.49Å; I1149-V1153 HydrophobicContact CG2-CB 4.16Å; I1149-V1153 HydrophobicContact CG2-CG2 4.28Å; I1149-V1153 VanDerWaalsContact O-CB 3.3Å; I1149-V1153 WeakPolarHBondContact O-CB 3.39Å; I1149-V1153 PolarHBondContact O-N 2.93Å; I1149-R1158 HydrophobicContact CG2-CB 4.4Å; I1149-R1158 HydrophobicContact CG2-CG 4.07Å |
| 1150 | K | 86 | Confident | 85.1 | Confident | 140 Ų | 140 | 49.8 Ų | 49.8 | 61% | 0.609 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.7 | -32.7 | 178 | -79.4 | 171.3 | 174 | 164.4 | 0 | 113.2 | D1146 A1147 | D1146-K1150 WeakPolarHBondContact O-CB 3.44Å; D1146-K1150 VanDerWaalsContact O-CG 3.28Å; D1146-K1150 WeakPolarHBondContact O-CG 3.33Å; D1146-K1150 PolarHBondContact O-N 3.49Å; D1146-K1150 IonicContact OD1-NZ 3.79Å; D1146-K1150 WeakPolarHBondContact OD2-CE 3.43Å; D1146-K1150 IonicContact OD2-NZ 2.69Å; D1146-K1150 PolarHBondContact OD2-NZ 3.09Å; A1147-K1150 PolarHBondContact O-N 3.27Å |
| 1151 | C | 87 | Confident | 85.4 | Confident | 52 Ų | 52 | 48.6 Ų | 48.6 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -77.2 | -40.4 | -178.6 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | A1074 A1147 L1148 I1149 | A1074-C1151 HydrophobicContact CB-CB 3.75Å; A1147-C1151 VanDerWaalsContact O-CB 3.31Å; A1147-C1151 WeakPolarHBondContact O-CB 3.48Å; A1147-C1151 PolarHBondContact O-N 3.35Å; L1148-C1151 PolarHBondContact O-N 2.84Å; I1149-C1151 PolarHBondContact O-N 3.44Å |
| 1152 | H | 89.9 | Confident | 85.6 | Confident | 33 Ų | 33 | 51.7 Ų | 51.7 | 15% | 0.153 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -118.9 | -1 | -165.1 | -60.5 | -58.6 | 0 | 0 | 0 | 115.4 | A1074 L1084 E1085 L1148 I1149 | A1074-H1152 PolarHBondContact O-CE1 2.91Å; A1074-H1152 PolarHBondContact O-NE2 3.29Å; L1084-H1152 HydrophobicContact CD2-CB 4.21Å; E1085-H1152 WeakPolarHBondContact CB-O 3.48Å; L1148-H1152 PolarHBondContact O-N 2.89Å; I1149-H1152 PolarHBondContact O-N 3.49Å |
| 1153 | V | 87.7 | Confident | 85.7 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -127.1 | 131.5 | -177.3 | -172.7 | 0 | 0 | 0 | 0 | 109.9 | L1084 I1088 I1149 L1157 | L1084-V1153 HydrophobicContact CB-CG2 4.44Å; L1084-V1153 HydrophobicContact CD2-CG2 3.54Å; L1084-V1153 HydrophobicContact CG-CG2 3.55Å; I1088-V1153 HydrophobicContact CD1-CB 4.47Å; I1088-V1153 HydrophobicContact CD1-CG1 4Å; I1088-V1153 HydrophobicContact CD1-CG2 3.67Å; I1088-V1153 HydrophobicContact CG2-CG1 4.26Å; I1149-V1153 HydrophobicContact CG2-CB 4.16Å; I1149-V1153 HydrophobicContact CG2-CG2 4.28Å; I1149-V1153 VanDerWaalsContact O-CB 3.3Å; I1149-V1153 WeakPolarHBondContact O-CB 3.39Å; I1149-V1153 PolarHBondContact O-N 2.93Å; V1153-L1157 HydrophobicContact CG1-CB 4.11Å |
| 1154 | D | 86.2 | Confident | 85.6 | Confident | 82 Ų | 82 | 48.7 Ų | 48.7 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | trans | -52.7 | 127.2 | 172.6 | -169.2 | -45.7 | 0 | 0 | 0 | 110.8 | A1156 L1157 R1158 | D1154-A1156 PolarHBondContact O-N 3.33Å; D1154-A1156 VanDerWaalsContact O-N 3.07Å; D1154-A1156 VanDerWaalsContact OD1-CB 3.28Å; D1154-A1156 WeakPolarHBondContact OD1-CB 3.48Å; D1154-A1156 PolarHBondContact OD1-N 3.43Å; D1154-L1157 HydrophobicContact CB-CB 4.49Å; D1154-L1157 HydrophobicContact CB-CD1 4.1Å; D1154-L1157 HydrophobicContact CB-CG 4.14Å; D1154-L1157 PolarHBondContact O-N 2.95Å; D1154-R1158 PolarHBondContact O-N 3.05Å; D1154-R1158 VanDerWaalsContact O-N 3.16Å | ||
| 1155 | P | 83.9 | Confident | 85.4 | Confident | 96 Ų | 96 | 49 Ų | 49 | 62% | 0.623 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -50.2 | -31.9 | 175.4 | -28 | 34.6 | 0 | 0 | 0 | 114.6 | R1158 V1159 | P1155-R1158 PolarHBondContact O-N 3.29Å; P1155-V1159 WeakPolarHBondContact O-CG2 3.46Å; P1155-V1159 PolarHBondContact O-N 2.78Å; P1155-V1159 VanDerWaalsContact O-N 3.16Å |
| 1156 | A | 83.4 | Confident | 85.1 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1154 R1158 V1159 Q1160 | D1154-A1156 PolarHBondContact O-N 3.33Å; D1154-A1156 VanDerWaalsContact O-N 3.07Å; D1154-A1156 VanDerWaalsContact OD1-CB 3.28Å; D1154-A1156 WeakPolarHBondContact OD1-CB 3.48Å; D1154-A1156 PolarHBondContact OD1-N 3.43Å; A1156-R1158 VanDerWaalsContact C-N 3.31Å; A1156-R1158 PolarHBondContact O-N 3.31Å; A1156-V1159 PolarHBondContact O-N 3.22Å; A1156-Q1160 WeakPolarHBondContact O-CG 3.41Å; A1156-Q1160 PolarHBondContact O-N 3.21Å |
| 1157 | L | 85.9 | Confident | 84.3 | Confident | 24 Ų | 24 | 55.9 Ų | 55.9 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 176.6 | -66.9 | 175.3 | 0 | 0 | 0 | 110.9 | E1085 I1088 I1092 V1153 D1154 V1159 Q1160 L1161 | E1085-L1157 HydrophobicContact CG-CD1 3.72Å; I1088-L1157 HydrophobicContact CG2-CB 4.4Å; I1092-L1157 HydrophobicContact CD1-CB 4Å; I1092-L1157 HydrophobicContact CD1-CD2 3.93Å; I1092-L1157 VanDerWaalsContact CD1-O 3.31Å; I1092-L1157 WeakPolarHBondContact CD1-O 3.5Å; V1153-L1157 HydrophobicContact CG1-CB 4.11Å; D1154-L1157 HydrophobicContact CB-CB 4.49Å; D1154-L1157 HydrophobicContact CB-CD1 4.1Å; D1154-L1157 HydrophobicContact CB-CG 4.14Å; D1154-L1157 PolarHBondContact O-N 2.95Å; L1157-V1159 PolarHBondContact O-N 3.01Å; L1157-Q1160 PolarHBondContact O-N 3.43Å; L1157-L1161 WeakPolarHBondContact O-CB 3.37Å; L1157-L1161 PolarHBondContact O-N 2.76Å |
| 1158 | R | 81.8 | Confident | 82.8 | Confident | 66 Ų | 66 | 60.3 Ų | 60.3 | 25% | 0.249 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.4 | -49.1 | 175.2 | -178.7 | -171.7 | 174.4 | 153.5 | 2.2 | 112.4 | D1146 I1149 D1154 P1155 A1156 Q1160 L1161 E1162 | D1146-R1158 IonicContact OD1-CZ 3.92Å; D1146-R1158 IonicContact OD1-NH1 2.8Å; D1146-R1158 PolarHBondContact OD1-NH1 3.46Å; D1146-R1158 IonicContact OD1-NH2 3.66Å; D1146-R1158 PolarHBondContact OD1-NH2 2.98Å; I1149-R1158 HydrophobicContact CG2-CB 4.4Å; I1149-R1158 HydrophobicContact CG2-CG 4.07Å; D1154-R1158 PolarHBondContact O-N 3.05Å; D1154-R1158 VanDerWaalsContact O-N 3.16Å; P1155-R1158 PolarHBondContact O-N 3.29Å; A1156-R1158 VanDerWaalsContact C-N 3.31Å; A1156-R1158 PolarHBondContact O-N 3.31Å; R1158-Q1160 VanDerWaalsContact C-N 3.29Å; R1158-Q1160 PolarHBondContact O-N 3.42Å; R1158-L1161 PolarHBondContact O-N 3.24Å; R1158-E1162 IonicContact CZ-OE1 3.37Å; R1158-E1162 IonicContact NE-OE1 3.83Å; R1158-E1162 PolarHBondContact NE-OE1 2.83Å; R1158-E1162 IonicContact NH2-OE1 3.38Å; R1158-E1162 WeakPolarHBondContact O-CG 3.2Å; R1158-E1162 PolarHBondContact O-N 2.92Å |
| 1159 | V | 84.4 | Confident | 80.8 | Confident | 98 Ų | 98 | 68.4 Ų | 68.4 | 59% | 0.594 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.3 | -39.6 | 178.2 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | P1155 A1156 L1157 C1163 | P1155-V1159 WeakPolarHBondContact O-CG2 3.46Å; P1155-V1159 PolarHBondContact O-N 2.78Å; P1155-V1159 VanDerWaalsContact O-N 3.16Å; A1156-V1159 PolarHBondContact O-N 3.22Å; L1157-V1159 PolarHBondContact O-N 3.01Å; V1159-C1163 VanDerWaalsContact O-CB 3.24Å; V1159-C1163 WeakPolarHBondContact O-CB 3.43Å; V1159-C1163 PolarHBondContact O-N 3.15Å |
| 1160 | Q | 85.4 | Confident | 80.5 | Confident | 79 Ų | 79 | 70.4 Ų | 70.4 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 176.5 | -73.3 | 175.9 | 1.4 | 0 | 0 | 112.3 | I1092 A1156 L1157 R1158 C1163 Q1164 | I1092-Q1160 HydrophobicContact CD1-CB 4.2Å; I1092-Q1160 HydrophobicContact CG2-CB 4.4Å; A1156-Q1160 WeakPolarHBondContact O-CG 3.41Å; A1156-Q1160 PolarHBondContact O-N 3.21Å; L1157-Q1160 PolarHBondContact O-N 3.43Å; R1158-Q1160 VanDerWaalsContact C-N 3.29Å; R1158-Q1160 PolarHBondContact O-N 3.42Å; Q1160-C1163 PolarHBondContact O-N 3.1Å; Q1160-Q1164 WeakPolarHBondContact O-CB 3.36Å; Q1160-Q1164 WeakPolarHBondContact O-CG 3.12Å; Q1160-Q1164 PolarHBondContact O-N 2.95Å |
| 1161 | L | 86 | Confident | 80.2 | Confident | 16 Ų | 16 | 66.7 Ų | 66.7 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.5 | -49.6 | 176.8 | -178.7 | 68.5 | 0 | 0 | 0 | 111.3 | I1088 I1091 I1092 L1095 L1132 L1157 R1158 C1163 Q1164 L1165 | I1088-L1161 HydrophobicContact CD1-CD2 4.46Å; I1088-L1161 HydrophobicContact CG1-CD2 4.31Å; I1088-L1161 HydrophobicContact CG2-CD2 4.15Å; I1091-L1161 HydrophobicContact CB-CD1 4.37Å; I1091-L1161 HydrophobicContact CG2-CD1 3.58Å; I1092-L1161 HydrophobicContact CD1-CB 4.16Å; I1092-L1161 HydrophobicContact CG1-CB 4.05Å; I1092-L1161 HydrophobicContact CG1-CD1 4.13Å; L1095-L1161 HydrophobicContact CD1-CD1 4.34Å; L1132-L1161 HydrophobicContact CD1-CD2 4.33Å; L1157-L1161 WeakPolarHBondContact O-CB 3.37Å; L1157-L1161 PolarHBondContact O-N 2.76Å; R1158-L1161 PolarHBondContact O-N 3.24Å; L1161-C1163 VanDerWaalsContact C-N 3.31Å; L1161-C1163 PolarHBondContact O-N 3.04Å; L1161-Q1164 PolarHBondContact O-N 3.14Å; L1161-L1165 HydrophobicContact CD1-CD1 3.74Å; L1161-L1165 HydrophobicContact CD1-CG 4.08Å; L1161-L1165 HydrophobicContact CG-CD1 3.83Å; L1161-L1165 HydrophobicContact CG-CG 4.43Å; L1161-L1165 VanDerWaalsContact O-CB 3.3Å; L1161-L1165 WeakPolarHBondContact O-CB 3.27Å; L1161-L1165 WeakPolarHBondContact O-CG 3.34Å; L1161-L1165 PolarHBondContact O-N 3.3Å |
| 1162 | E | 84.7 | Confident | 79.8 | Confident | 91 Ų | 91 | 67.5 Ų | 67.5 | 43% | 0.425 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 177.8 | -73 | 176.5 | -166 | 0 | 0 | 111.4 | R1158 N1166 | R1158-E1162 IonicContact CZ-OE1 3.37Å; R1158-E1162 IonicContact NE-OE1 3.83Å; R1158-E1162 PolarHBondContact NE-OE1 2.83Å; R1158-E1162 IonicContact NH2-OE1 3.38Å; R1158-E1162 WeakPolarHBondContact O-CG 3.2Å; R1158-E1162 PolarHBondContact O-N 2.92Å; E1162-N1166 WeakPolarHBondContact O-CB 3.28Å; E1162-N1166 VanDerWaalsContact O-CG 3.25Å; E1162-N1166 PolarHBondContact O-N 2.67Å; E1162-N1166 VanDerWaalsContact O-N 3.07Å; E1162-N1166 PolarHBondContact O-ND2 3Å |
| 1163 | C | 85 | Confident | 79.2 | Confident | 68 Ų | 68 | 69.5 Ų | 69.5 | 46% | 0.459 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.5 | -51.8 | 176.8 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | V1159 Q1160 L1161 N1166 Q1167 | V1159-C1163 VanDerWaalsContact O-CB 3.24Å; V1159-C1163 WeakPolarHBondContact O-CB 3.43Å; V1159-C1163 PolarHBondContact O-N 3.15Å; Q1160-C1163 PolarHBondContact O-N 3.1Å; L1161-C1163 VanDerWaalsContact C-N 3.31Å; L1161-C1163 PolarHBondContact O-N 3.04Å; C1163-N1166 CarbonylContact O-C 3.6Å; C1163-N1166 PolarHBondContact O-N 3.16Å; C1163-Q1167 VanDerWaalsContact O-CG 3.3Å; C1163-Q1167 WeakPolarHBondContact O-CG 3.49Å; C1163-Q1167 PolarHBondContact O-N 3.28Å |
| 1164 | Q | 81.6 | Confident | 78.7 | Confident | 16 Ų | 16 | 73.4 Ų | 73.4 | 8% | 0.075 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.1 | -40.8 | -176.5 | -71.5 | -61.6 | -20.1 | 0 | 0 | 112.7 | L1095 Y1096 Q1160 L1161 N1166 | L1095-Q1164 HydrophobicContact CB-CB 4.14Å; L1095-Q1164 HydrophobicContact CD1-CB 3.89Å; Y1096-Q1164 HydrophobicContact CE2-CG 4.27Å; Y1096-Q1164 PolarHBondContact OH-NE2 3.45Å; Y1096-Q1164 VanDerWaalsContact OH-NE2 3.15Å; Q1160-Q1164 WeakPolarHBondContact O-CB 3.36Å; Q1160-Q1164 WeakPolarHBondContact O-CG 3.12Å; Q1160-Q1164 PolarHBondContact O-N 2.95Å; L1161-Q1164 PolarHBondContact O-N 3.14Å; Q1164-N1166 VanDerWaalsContact C-N 3.29Å; Q1164-N1166 PolarHBondContact O-N 2.93Å |
| 1165 | L | 81 | Confident | 78.2 | Confident | 13 Ų | 13 | 72.8 Ų | 72.8 | 7% | 0.068 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.1 | -28.6 | 175.4 | -73 | 176.5 | 0 | 0 | 0 | 112.2 | L1095 L1128 R1129 L1132 L1161 | L1095-L1165 HydrophobicContact CD1-CD2 3.81Å; L1095-L1165 HydrophobicContact CD1-CG 4.03Å; L1095-L1165 HydrophobicContact CD2-CD2 4.31Å; L1128-L1165 HydrophobicContact CB-CD2 4.08Å; L1128-L1165 HydrophobicContact CD1-CD2 4.5Å; R1129-L1165 HydrophobicContact CG-CD2 4.27Å; R1129-L1165 PolarHBondContact NE-O 3.47Å; R1129-L1165 PolarHBondContact NH2-O 3.17Å; L1132-L1165 HydrophobicContact CD1-CD1 3.42Å; L1132-L1165 VanDerWaalsContact CD1-CD1 3.42Å; L1161-L1165 HydrophobicContact CD1-CD1 3.74Å; L1161-L1165 HydrophobicContact CD1-CG 4.08Å; L1161-L1165 HydrophobicContact CG-CD1 3.83Å; L1161-L1165 HydrophobicContact CG-CG 4.43Å; L1161-L1165 VanDerWaalsContact O-CB 3.3Å; L1161-L1165 WeakPolarHBondContact O-CB 3.27Å; L1161-L1165 WeakPolarHBondContact O-CG 3.34Å; L1161-L1165 PolarHBondContact O-N 3.3Å |
| 1166 | N | 79.5 | Confident | 77.8 | Confident | 111 Ų | 111 | 71.1 Ų | 71.1 | 59% | 0.594 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -98.7 | -4.9 | -179.1 | -65.9 | -42.4 | 0 | 0 | 0 | 114.3 | E1162 C1163 Q1164 S1168 | E1162-N1166 WeakPolarHBondContact O-CB 3.28Å; E1162-N1166 VanDerWaalsContact O-CG 3.25Å; E1162-N1166 PolarHBondContact O-N 2.67Å; E1162-N1166 VanDerWaalsContact O-N 3.07Å; E1162-N1166 PolarHBondContact O-ND2 3Å; C1163-N1166 CarbonylContact O-C 3.6Å; C1163-N1166 PolarHBondContact O-N 3.16Å; Q1164-N1166 VanDerWaalsContact C-N 3.29Å; Q1164-N1166 PolarHBondContact O-N 2.93Å; N1166-S1168 PolarHBondContact O-N 3.29Å |
| 1167 | Q | 70.2 | Confident | 77.4 | Confident | 81 Ų | 81 | 72.6 Ų | 72.6 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | trans | -59.8 | 104.1 | 168.5 | -85.8 | 172.3 | 32.9 | 0 | 0 | 108.9 | K1125 C1163 E1169 | K1125-Q1167 PolarHBondContact NZ-O 3.19Å; K1125-Q1167 VanDerWaalsContact NZ-O 3.07Å; C1163-Q1167 VanDerWaalsContact O-CG 3.3Å; C1163-Q1167 WeakPolarHBondContact O-CG 3.49Å; C1163-Q1167 PolarHBondContact O-N 3.28Å; Q1167-E1169 PolarHBondContact O-N 2.96Å | ||
| 1168 | S | 54.4 | Low | 76.6 | Confident | 109 Ų | 109 | 76.7 Ų | 76.7 | 76% | 0.762 | 41% | 0.405 | S | S | * | . | trans | -62.1 | 124.1 | 161.5 | 52 | 0 | 0 | 0 | 0 | 107.9 | N1166 | N1166-S1168 PolarHBondContact O-N 3.29Š| ||
| 1169 | E | 45.7 | Very low | 76.2 | Confident | 172 Ų | 172 | 77.6 Ų | 77.6 | 80% | 0.804 | 42% | 0.419 | S | S | * | . | trans | -66.6 | 0 | 159.5 | -81.1 | 173 | -164.8 | 0 | 0 | 110.6 | S1121 N1122 K1125 Q1167 | S1121-E1169 VanDerWaalsContact CB-OE1 3.22Å; S1121-E1169 WeakPolarHBondContact CB-OE1 3.45Å; S1121-E1169 PolarHBondContact OG-OE1 2.76Å; N1122-E1169 PolarHBondContact ND2-OE2 3.16Å; K1125-E1169 IonicContact NZ-OE1 3.95Å; Q1167-E1169 PolarHBondContact O-N 2.96Å |
Retrieved 1,169 of 1,169 residues in 1134.2 ms
(Link to these results)