| 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 | 38.3 | Very low | 79 | Confident | 243 Ų | 243 | 84.3 Ų | 84.3 | 100% | 1.197 | 47% | 0.469 | S | S | * | . | 0 | 89.3 | 0 | -78.4 | -175.2 | -79 | 0 | 0 | 106.4 | G3 | M1-G3 PolarHBondContact O-N 3.23Š| |||
| 2 | E | 49.5 | Very low | 80.4 | Confident | 205 Ų | 205 | 79 Ų | 79 | 96% | 0.958 | 44% | 0.44 | S | S | * | . | trans | -74.9 | 105.5 | 170.9 | -72.6 | -178.5 | 164.4 | 0 | 0 | 106.6 | ||||
| 3 | G | 60.3 | Low | 81.6 | Confident | 60 Ų | 60 | 73.2 Ų | 73.2 | 62% | 0.619 | 41% | 0.407 | S | S | * | . | trans | -68.6 | 156.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | M1 V5 | M1-G3 PolarHBondContact O-N 3.23Å; G3-V5 PolarHBondContact O-N 3.11Å | ||
| 4 | C | 73.3 | Confident | 82.7 | Confident | 109 Ų | 109 | 68 Ų | 68 | 74% | 0.736 | 38% | 0.378 | S | S | * | . | trans | -54.5 | 130.7 | 168.8 | -67.4 | 0 | 0 | 0 | 0 | 109.3 | S6 | C4-S6 VanDerWaalsContact C-N 3.32Š| ||
| 5 | V | 84.9 | Confident | 83.6 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 29% | 0.285 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -81.9 | -16.3 | -179.8 | -65.7 | 0 | 0 | 0 | 0 | 112.4 | G3 N12 Y15 W46 | G3-V5 PolarHBondContact O-N 3.11Å; V5-N12 WeakPolarHBondContact CG2-OD1 2.8Å; V5-N12 PolarHBondContact N-OD1 3.19Å; V5-Y15 HydrophobicContact CB-CD1 4.42Å; V5-Y15 HydrophobicContact CG1-CD1 3.87Å; V5-Y15 HydrophobicContact CG1-CE1 3.64Å; V5-Y15 HydrophobicContact CG1-CG 4.48Å; V5-Y15 HydrophobicContact CG2-CD1 3.67Å; V5-Y15 HydrophobicContact CG2-CD2 4.3Å; V5-Y15 HydrophobicContact CG2-CE1 4.3Å; V5-Y15 HydrophobicContact CG2-CG 3.66Å; V5-W46 HydrophobicContact CB-CE3 4.45Å; V5-W46 HydrophobicContact CB-CH2 3.9Å; V5-W46 HydrophobicContact CB-CZ3 3.83Å; V5-W46 HydrophobicContact CG2-CD2 4.33Å; V5-W46 HydrophobicContact CG2-CE3 3.92Å; V5-W46 HydrophobicContact CG2-CH2 4.13Å; V5-W46 HydrophobicContact CG2-CZ3 3.82Å; V5-W46 WeakPolarHBondContact O-CH2 3.4Å |
| 6 | S | 91 | Very high | 84.3 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -140.8 | 153 | -178.7 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | C4 L8 C11 N12 D37 | C4-S6 VanDerWaalsContact C-N 3.32Å; S6-L8 PolarHBondContact O-N 3.16Å; S6-L8 PolarHBondContact OG-N 3.07Å; S6-C11 VanDerWaalsContact OG-CB 3.29Å; S6-C11 WeakPolarHBondContact OG-CB 3.4Å; S6-N12 PolarHBondContact N-OD1 3.39Å; S6-N12 PolarHBondContact O-ND2 3.17Å; S6-N12 PolarHBondContact O-OD1 3.28Å; S6-D37 WeakPolarHBondContact CB-OD2 3.47Å; S6-D37 WeakPolarHBondContact OG-CB 3.44Å; S6-D37 PolarHBondContact OG-OD2 3.15Å |
| 7 | N | 92.4 | Very high | 85 | Confident | 107 Ų | 107 | 67.9 Ų | 67.9 | 57% | 0.572 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -71.1 | -12.9 | 170.8 | 68.9 | -12 | 0 | 0 | 0 | 113 | D37 Q38 | N7-D37 VanDerWaalsContact OD1-CB 3.29Å; N7-D37 WeakPolarHBondContact OD1-CB 3.22Å; N7-Q38 VanDerWaalsContact N-OE1 3.08Å; N7-Q38 PolarHBondContact ND2-OE1 3.43Å; N7-Q38 PolarHBondContact OD1-OE1 2.81Å |
| 8 | L | 94.1 | Very high | 85.6 | Confident | 23 Ų | 23 | 69.3 Ų | 69.3 | 12% | 0.12 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -97.2 | 128.9 | 178.3 | -66.1 | -171.3 | 0 | 0 | 0 | 112.4 | S6 V10 C11 N12 R35 T36 D37 | S6-L8 PolarHBondContact O-N 3.16Å; S6-L8 PolarHBondContact OG-N 3.07Å; L8-V10 VanDerWaalsContact C-N 3.33Å; L8-V10 HydrophobicContact CB-CG2 4.33Å; L8-V10 PolarHBondContact O-N 3.11Å; L8-C11 HydrophobicContact CB-CB 4.08Å; L8-C11 WeakPolarHBondContact O-CB 3.31Å; L8-C11 PolarHBondContact O-N 3.29Å; L8-N12 PolarHBondContact O-N 3.12Å; L8-N12 VanDerWaalsContact O-N 3.13Å; L8-N12 PolarHBondContact O-ND2 3.05Å; L8-N12 VanDerWaalsContact O-ND2 3.17Å; L8-R35 HydrophobicContact CD1-CB 4.23Å; L8-R35 HydrophobicContact CD1-CG 3.8Å; L8-T36 VanDerWaalsContact CD1-C 3.48Å; L8-T36 WeakPolarHBondContact CD1-O 3.41Å; L8-D37 HydrophobicContact CB-CB 4.39Å; L8-D37 HydrophobicContact CD1-CB 3.97Å; L8-D37 HydrophobicContact CG-CB 3.9Å |
| 9 | M | 93.8 | Very high | 86.1 | Confident | 120 Ų | 120 | 66.8 Ų | 66.8 | 59% | 0.591 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -56.2 | -45.4 | 175.7 | -176.6 | 59.7 | 176.9 | 0 | 0 | 112 | C11 N12 L13 | M9-C11 VanDerWaalsContact C-N 3.29Å; M9-C11 PolarHBondContact O-N 2.92Å; M9-N12 PolarHBondContact O-N 3.36Å; M9-N12 VanDerWaalsContact O-N 3.12Å; M9-L13 HydrophobicContact CE-CD1 4.23Å; M9-L13 HydrophobicContact CE-CD2 3.76Å; M9-L13 HydrophobicContact CE-CG 4Å; M9-L13 HydrophobicContact CG-CD1 4.19Å; M9-L13 HydrophobicContact CG-CG 4.33Å; M9-L13 WeakPolarHBondContact O-CG 3.33Å; M9-L13 PolarHBondContact O-N 3.24Å; M9-L13 HydrophobicContact SD-CG 4.41Å |
| 10 | V | 95.1 | Very high | 86.7 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.3 | -32.6 | -179.8 | -66.3 | 0 | 0 | 0 | 0 | 113.5 | L8 A14 L22 L32 | L8-V10 VanDerWaalsContact C-N 3.33Å; L8-V10 HydrophobicContact CB-CG2 4.33Å; L8-V10 PolarHBondContact O-N 3.11Å; V10-A14 WeakPolarHBondContact O-CB 3.33Å; V10-A14 PolarHBondContact O-N 3.03Å; V10-L22 HydrophobicContact CB-CD1 4.17Å; V10-L22 WeakPolarHBondContact O-CD1 3.4Å; V10-L32 HydrophobicContact CG1-CB 3.9Å; V10-L32 HydrophobicContact CG1-CD1 3.91Å; V10-L32 HydrophobicContact CG1-CG 4.37Å; V10-L32 HydrophobicContact CG2-CB 4.42Å |
| 11 | C | 95.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 173.6 | -69.2 | 0 | 0 | 0 | 0 | 111.4 | S6 L8 M9 A14 Y15 W46 | S6-C11 VanDerWaalsContact OG-CB 3.29Å; S6-C11 WeakPolarHBondContact OG-CB 3.4Å; L8-C11 HydrophobicContact CB-CB 4.08Å; L8-C11 WeakPolarHBondContact O-CB 3.31Å; L8-C11 PolarHBondContact O-N 3.29Å; M9-C11 VanDerWaalsContact C-N 3.29Å; M9-C11 PolarHBondContact O-N 2.92Å; C11-A14 PolarHBondContact O-N 3.23Å; C11-Y15 WeakPolarHBondContact O-CB 3.32Å; C11-Y15 PolarHBondContact O-N 3.26Å; C11-W46 VanDerWaalsContact CB-CD1 3.43Å; C11-W46 HydrophobicContact CB-CG 4.18Å |
| 12 | N | 95.6 | Very high | 89.9 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 11% | 0.112 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 175.3 | -66.3 | -46 | 0 | 0 | 0 | 112.2 | V5 S6 L8 M9 Y15 T16 | V5-N12 WeakPolarHBondContact CG2-OD1 2.8Å; V5-N12 PolarHBondContact N-OD1 3.19Å; S6-N12 PolarHBondContact N-OD1 3.39Å; S6-N12 PolarHBondContact O-ND2 3.17Å; S6-N12 PolarHBondContact O-OD1 3.28Å; L8-N12 PolarHBondContact O-N 3.12Å; L8-N12 VanDerWaalsContact O-N 3.13Å; L8-N12 PolarHBondContact O-ND2 3.05Å; L8-N12 VanDerWaalsContact O-ND2 3.17Å; M9-N12 PolarHBondContact O-N 3.36Å; M9-N12 VanDerWaalsContact O-N 3.12Å; N12-Y15 PolarHBondContact O-N 3.1Å; N12-T16 WeakPolarHBondContact O-CB 3.47Å; N12-T16 WeakPolarHBondContact O-CG2 3.44Å; N12-T16 PolarHBondContact O-N 2.89Å; N12-T16 PolarHBondContact O-OG1 3.15Å |
| 13 | L | 96.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 173.5 | -69.4 | 176.5 | 0 | 0 | 0 | 111.3 | M9 Y15 T16 G17 K18 E21 L22 | M9-L13 HydrophobicContact CE-CD1 4.23Å; M9-L13 HydrophobicContact CE-CD2 3.76Å; M9-L13 HydrophobicContact CE-CG 4Å; M9-L13 HydrophobicContact CG-CD1 4.19Å; M9-L13 HydrophobicContact CG-CG 4.33Å; M9-L13 WeakPolarHBondContact O-CG 3.33Å; M9-L13 PolarHBondContact O-N 3.24Å; M9-L13 HydrophobicContact SD-CG 4.41Å; L13-Y15 VanDerWaalsContact C-N 3.32Å; L13-Y15 PolarHBondContact O-N 3.31Å; L13-T16 PolarHBondContact O-N 3.43Å; L13-T16 PolarHBondContact O-OG1 3.08Å; L13-G17 PolarHBondContact O-N 3.41Å; L13-K18 HydrophobicContact CD2-CB 3.81Å; L13-K18 HydrophobicContact CD2-CD 3.53Å; L13-K18 HydrophobicContact CD2-CG 4.34Å; L13-K18 PolarHBondContact O-N 3.39Å; L13-K18 VanDerWaalsContact O-N 3.13Å; L13-E21 HydrophobicContact CD1-CB 4.15Å; L13-E21 HydrophobicContact CD2-CB 3.91Å; L13-E21 VanDerWaalsContact CD2-OE2 3.3Å; L13-E21 WeakPolarHBondContact CD2-OE2 3.41Å; L13-L22 HydrophobicContact CB-CB 4.31Å; L13-L22 HydrophobicContact CB-CD1 4.06Å |
| 14 | A | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64 | -35.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V10 C11 L22 A43 W46 A47 H52 I55 | V10-A14 WeakPolarHBondContact O-CB 3.33Å; V10-A14 PolarHBondContact O-N 3.03Å; C11-A14 PolarHBondContact O-N 3.23Å; A14-L22 HydrophobicContact CB-CD1 4.46Å; A14-L22 HydrophobicContact CB-CD2 4.43Å; A14-A43 HydrophobicContact CB-CB 3.84Å; A14-A43 WeakPolarHBondContact CB-O 3.5Å; A14-W46 HydrophobicContact CB-CB 4.39Å; A14-A47 HydrophobicContact CB-CB 4.35Å; A14-H52 PolarHBondContact O-CD2 3.19Å; A14-H52 VanDerWaalsContact O-CD2 3.23Å; A14-I55 HydrophobicContact CB-CG2 4.41Å |
| 15 | Y | 96.3 | Very high | 94.9 | Very high | 95 Ų | 95 | 51.8 Ų | 51.8 | 37% | 0.373 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72.7 | -41.5 | 176 | -177.6 | -106 | 0 | 0 | 0 | 112.8 | V5 C11 N12 L13 G17 W46 A50 H52 | V5-Y15 HydrophobicContact CB-CD1 4.42Å; V5-Y15 HydrophobicContact CG1-CD1 3.87Å; V5-Y15 HydrophobicContact CG1-CE1 3.64Å; V5-Y15 HydrophobicContact CG1-CG 4.48Å; V5-Y15 HydrophobicContact CG2-CD1 3.67Å; V5-Y15 HydrophobicContact CG2-CD2 4.3Å; V5-Y15 HydrophobicContact CG2-CE1 4.3Å; V5-Y15 HydrophobicContact CG2-CG 3.66Å; C11-Y15 WeakPolarHBondContact O-CB 3.32Å; C11-Y15 PolarHBondContact O-N 3.26Å; N12-Y15 PolarHBondContact O-N 3.1Å; L13-Y15 VanDerWaalsContact C-N 3.32Å; L13-Y15 PolarHBondContact O-N 3.31Å; Y15-G17 VanDerWaalsContact C-N 3.31Å; Y15-G17 PolarHBondContact O-N 2.99Å; Y15-W46 AromaticContact CD2-CE3 3.73Å; Y15-W46 HydrophobicContact CD2-CE3 3.73Å; Y15-W46 HydrophobicContact CD2-CZ3 4.3Å; Y15-W46 HydrophobicContact CE2-CE3 4.33Å; Y15-W46 HydrophobicContact CG-CE3 4.29Å; Y15-A50 HydrophobicContact CD2-CB 3.95Å; Y15-A50 HydrophobicContact CE2-CB 4.33Å; Y15-A50 VanDerWaalsContact O-CB 3.22Å; Y15-A50 WeakPolarHBondContact O-CB 3.3Å; Y15-H52 PolarHBondContact O-CD2 2.79Å; Y15-H52 PolarHBondContact O-NE2 2.81Å |
| 16 | T | 96 | Very high | 95.3 | Very high | 81 Ų | 81 | 49.8 Ų | 49.8 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -80.6 | -9.6 | -177.8 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | N12 L13 | N12-T16 WeakPolarHBondContact O-CB 3.47Å; N12-T16 WeakPolarHBondContact O-CG2 3.44Å; N12-T16 PolarHBondContact O-N 2.89Å; N12-T16 PolarHBondContact O-OG1 3.15Å; L13-T16 PolarHBondContact O-N 3.43Å; L13-T16 PolarHBondContact O-OG1 3.08Å |
| 17 | G | 95.2 | Very high | 95.4 | Very high | 27 Ų | 27 | 55.9 Ų | 55.9 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | 16.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L13 Y15 L19 H52 | L13-G17 PolarHBondContact O-N 3.41Å; Y15-G17 VanDerWaalsContact C-N 3.31Å; Y15-G17 PolarHBondContact O-N 2.99Å; G17-L19 VanDerWaalsContact C-N 3.31Å; G17-L19 PolarHBondContact O-N 3.16Å; G17-H52 VanDerWaalsContact CA-CD2 3.45Å; G17-H52 WeakPolarHBondContact CA-CD2 3.11Å; G17-H52 VanDerWaalsContact CA-NE2 3.31Å; G17-H52 WeakPolarHBondContact CA-NE2 3.36Å; G17-H52 PolarHBondContact N-NE2 2.97Å |
| 18 | K | 96.2 | Very high | 95.6 | Very high | 92 Ų | 92 | 55.2 Ų | 55.2 | 40% | 0.4 | 30% | 0.296 | S | S | . | . | trans | -80.9 | 75.3 | -178.1 | -71.7 | 173.6 | 155.6 | -130.5 | 0 | 111.3 | L13 D20 E21 L22 | L13-K18 HydrophobicContact CD2-CB 3.81Å; L13-K18 HydrophobicContact CD2-CD 3.53Å; L13-K18 HydrophobicContact CD2-CG 4.34Å; L13-K18 PolarHBondContact O-N 3.39Å; L13-K18 VanDerWaalsContact O-N 3.13Å; K18-D20 PolarHBondContact O-N 3.24Å; K18-E21 HydrophobicContact CB-CB 4.29Å; K18-E21 VanDerWaalsContact NZ-CD 3.28Å; K18-E21 IonicContact NZ-OE1 2.74Å; K18-E21 PolarHBondContact NZ-OE1 3.36Å; K18-E21 IonicContact NZ-OE2 2.98Å; K18-E21 PolarHBondContact NZ-OE2 3.3Å; K18-L22 VanDerWaalsContact O-CB 3.28Å; K18-L22 WeakPolarHBondContact O-CB 3.43Å; K18-L22 PolarHBondContact O-N 2.99Å | ||
| 19 | L | 95.7 | Very high | 95.6 | Very high | 23 Ų | 23 | 57.1 Ų | 57.1 | 12% | 0.12 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.1 | -45.1 | -174 | -179.6 | 64.4 | 0 | 0 | 0 | 113.4 | G17 L22 K23 E54 I55 F58 | G17-L19 VanDerWaalsContact C-N 3.31Å; G17-L19 PolarHBondContact O-N 3.16Å; L19-L22 PolarHBondContact O-N 3.27Å; L19-K23 HydrophobicContact CD1-CD 4.31Å; L19-K23 HydrophobicContact CD1-CG 4.3Å; L19-K23 HydrophobicContact CG-CD 4.12Å; L19-K23 HydrophobicContact CG-CG 4.49Å; L19-K23 WeakPolarHBondContact O-CB 3.49Å; L19-K23 WeakPolarHBondContact O-CG 3.45Å; L19-K23 PolarHBondContact O-N 2.89Å; L19-E54 HydrophobicContact CD2-CB 4Å; L19-E54 WeakPolarHBondContact CD2-OE2 3.36Å; L19-I55 HydrophobicContact CB-CG1 4.12Å; L19-I55 HydrophobicContact CD1-CB 4.37Å; L19-I55 HydrophobicContact CD1-CG1 3.59Å; L19-I55 HydrophobicContact CG-CG1 4.44Å; L19-F58 HydrophobicContact CD1-CB 4.39Å |
| 20 | D | 96.6 | Very high | 95.5 | Very high | 116 Ų | 116 | 60.9 Ų | 60.9 | 62% | 0.62 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.2 | -47.6 | -175.5 | -63.1 | -35.2 | 0 | 0 | 0 | 111.6 | K18 L22 K23 E24 | K18-D20 PolarHBondContact O-N 3.24Å; D20-L22 VanDerWaalsContact C-N 3.27Å; D20-L22 PolarHBondContact O-N 3.21Å; D20-K23 WeakPolarHBondContact O-CB 3.47Å; D20-K23 PolarHBondContact O-N 3.43Å; D20-K23 VanDerWaalsContact O-N 3.17Å; D20-E24 WeakPolarHBondContact O-CG 3.45Å; D20-E24 PolarHBondContact O-N 3.01Å |
| 21 | E | 96.3 | Very high | 95.4 | Very high | 78 Ų | 78 | 64.7 Ų | 64.7 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 174.6 | -66.7 | 175.8 | -139.2 | 0 | 0 | 111.6 | L13 K18 S25 | L13-E21 HydrophobicContact CD1-CB 4.15Å; L13-E21 HydrophobicContact CD2-CB 3.91Å; L13-E21 VanDerWaalsContact CD2-OE2 3.3Å; L13-E21 WeakPolarHBondContact CD2-OE2 3.41Å; K18-E21 HydrophobicContact CB-CB 4.29Å; K18-E21 VanDerWaalsContact NZ-CD 3.28Å; K18-E21 IonicContact NZ-OE1 2.74Å; K18-E21 PolarHBondContact NZ-OE1 3.36Å; K18-E21 IonicContact NZ-OE2 2.98Å; K18-E21 PolarHBondContact NZ-OE2 3.3Å; E21-S25 WeakPolarHBondContact O-CB 3.37Å; E21-S25 PolarHBondContact O-N 3.1Å; E21-S25 PolarHBondContact O-OG 2.81Å |
| 22 | L | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.6 | -44.3 | 175.8 | -175.6 | 74.9 | 0 | 0 | 0 | 111.5 | V10 L13 A14 K18 L19 D20 S25 I26 I55 | V10-L22 HydrophobicContact CB-CD1 4.17Å; V10-L22 WeakPolarHBondContact O-CD1 3.4Å; L13-L22 HydrophobicContact CB-CB 4.31Å; L13-L22 HydrophobicContact CB-CD1 4.06Å; A14-L22 HydrophobicContact CB-CD1 4.46Å; A14-L22 HydrophobicContact CB-CD2 4.43Å; K18-L22 VanDerWaalsContact O-CB 3.28Å; K18-L22 WeakPolarHBondContact O-CB 3.43Å; K18-L22 PolarHBondContact O-N 2.99Å; L19-L22 PolarHBondContact O-N 3.27Å; D20-L22 VanDerWaalsContact C-N 3.27Å; D20-L22 PolarHBondContact O-N 3.21Å; L22-S25 PolarHBondContact O-N 2.94Å; L22-I26 HydrophobicContact CD1-CD1 4.11Å; L22-I26 HydrophobicContact CD2-CD1 4.5Å; L22-I26 HydrophobicContact CG-CD1 3.93Å; L22-I26 WeakPolarHBondContact O-CG1 3.13Å; L22-I26 PolarHBondContact O-N 3.22Å; L22-I55 HydrophobicContact CD2-CB 4.4Å; L22-I55 HydrophobicContact CD2-CD1 4.32Å; L22-I55 HydrophobicContact CD2-CG1 4.22Å; L22-I55 HydrophobicContact CD2-CG2 3.42Å; L22-I55 VanDerWaalsContact CD2-CG2 3.42Å |
| 23 | K | 96.3 | Very high | 95.2 | Very high | 68 Ų | 68 | 65.5 Ų | 65.5 | 30% | 0.296 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 176.2 | -79 | 173.9 | 177 | 167.3 | 0 | 110.9 | L19 D20 S25 I26 L27 F58 | L19-K23 HydrophobicContact CD1-CD 4.31Å; L19-K23 HydrophobicContact CD1-CG 4.3Å; L19-K23 HydrophobicContact CG-CD 4.12Å; L19-K23 HydrophobicContact CG-CG 4.49Å; L19-K23 WeakPolarHBondContact O-CB 3.49Å; L19-K23 WeakPolarHBondContact O-CG 3.45Å; L19-K23 PolarHBondContact O-N 2.89Å; D20-K23 WeakPolarHBondContact O-CB 3.47Å; D20-K23 PolarHBondContact O-N 3.43Å; D20-K23 VanDerWaalsContact O-N 3.17Å; K23-S25 VanDerWaalsContact C-N 3.32Å; K23-S25 PolarHBondContact O-N 3.31Å; K23-I26 PolarHBondContact O-N 3.45Å; K23-L27 WeakPolarHBondContact O-CB 3.41Å; K23-L27 WeakPolarHBondContact O-CG 3.37Å; K23-L27 PolarHBondContact O-N 3.28Å; K23-F58 HydrophobicContact CB-CZ 4.33Å; K23-F58 HydrophobicContact CG-CD1 4.11Å; K23-F58 HydrophobicContact CG-CD2 4.28Å; K23-F58 HydrophobicContact CG-CE1 3.76Å; K23-F58 HydrophobicContact CG-CE2 3.95Å; K23-F58 HydrophobicContact CG-CG 4.35Å; K23-F58 HydrophobicContact CG-CZ 3.68Å |
| 24 | E | 95.8 | Very high | 95.1 | Very high | 139 Ų | 139 | 68.6 Ų | 68.6 | 65% | 0.65 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.5 | -44.7 | 176.8 | -72.6 | -176.7 | 173.1 | 0 | 0 | 111.5 | D20 I26 L27 A28 | D20-E24 WeakPolarHBondContact O-CG 3.45Å; D20-E24 PolarHBondContact O-N 3.01Å; E24-I26 PolarHBondContact O-N 2.84Å; E24-L27 PolarHBondContact O-N 2.88Å; E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 2.97Å |
| 25 | S | 95.4 | Very high | 95.1 | Very high | 34 Ų | 34 | 74.9 Ų | 74.9 | 24% | 0.238 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60 | -46 | 177.6 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | E21 L22 K23 A28 D29 | E21-S25 WeakPolarHBondContact O-CB 3.37Å; E21-S25 PolarHBondContact O-N 3.1Å; E21-S25 PolarHBondContact O-OG 2.81Å; L22-S25 PolarHBondContact O-N 2.94Å; K23-S25 VanDerWaalsContact C-N 3.32Å; K23-S25 PolarHBondContact O-N 3.31Å; S25-A28 PolarHBondContact O-N 3.47Å; S25-D29 PolarHBondContact O-N 2.98Å |
| 26 | I | 94.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 73.3 Ų | 73.3 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -73.8 | -30.6 | -179 | -68.4 | 170.8 | 0 | 0 | 0 | 112.1 | L22 K23 E24 D29 R30 A33 F58 L59 L62 | L22-I26 HydrophobicContact CD1-CD1 4.11Å; L22-I26 HydrophobicContact CD2-CD1 4.5Å; L22-I26 HydrophobicContact CG-CD1 3.93Å; L22-I26 WeakPolarHBondContact O-CG1 3.13Å; L22-I26 PolarHBondContact O-N 3.22Å; K23-I26 PolarHBondContact O-N 3.45Å; E24-I26 PolarHBondContact O-N 2.84Å; I26-D29 CarbonylContact O-C 3.36Å; I26-R30 WeakPolarHBondContact O-CA 3.23Å; I26-R30 PolarHBondContact O-N 3.41Å; I26-A33 HydrophobicContact CD1-CB 4.06Å; I26-A33 HydrophobicContact CG1-CB 4.28Å; I26-A33 HydrophobicContact CG2-CB 4.1Å; I26-F58 HydrophobicContact CD1-CE1 3.99Å; I26-L59 HydrophobicContact CD1-CD2 3.7Å; I26-L62 HydrophobicContact CG2-CD1 3.65Å |
| 27 | L | 93.1 | Very high | 95.1 | Very high | 133 Ų | 133 | 70 Ų | 70 | 70% | 0.696 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -69.3 | -35.9 | 173 | -73.6 | 172.3 | 0 | 0 | 0 | 111.7 | K23 E24 | K23-L27 WeakPolarHBondContact O-CB 3.41Å; K23-L27 WeakPolarHBondContact O-CG 3.37Å; K23-L27 PolarHBondContact O-N 3.28Å; E24-L27 PolarHBondContact O-N 2.88Å |
| 28 | A | 95.4 | Very high | 95.1 | Very high | 93 Ų | 93 | 73.1 Ų | 73.1 | 77% | 0.769 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -70.1 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E24 S25 | E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 2.97Å; S25-A28 PolarHBondContact O-N 3.47Å |
| 29 | D | 94.8 | Very high | 95.1 | Very high | 64 Ų | 64 | 71.7 Ų | 71.7 | 34% | 0.342 | 37% | 0.369 | S | S | . | . | trans | -143.8 | 104.9 | 175.7 | 179.8 | 1.7 | 0 | 0 | 0 | 111.2 | S25 I26 T31 L32 | S25-D29 PolarHBondContact O-N 2.98Å; I26-D29 CarbonylContact O-C 3.36Å; D29-T31 PolarHBondContact O-N 3.28Å; D29-T31 WeakPolarHBondContact OD1-CB 3.4Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.49Å; D29-T31 PolarHBondContact OD1-N 3.26Å; D29-T31 PolarHBondContact OD1-OG1 3.13Å; D29-T31 PolarHBondContact OD2-OG1 3.47Å; D29-T31 VanDerWaalsContact OD2-OG1 3.11Å; D29-L32 HydrophobicContact CB-CD1 3.93Å; D29-L32 HydrophobicContact CB-CG 3.92Å; D29-L32 WeakPolarHBondContact O-CB 3.45Å; D29-L32 WeakPolarHBondContact O-CG 3.2Å; D29-L32 PolarHBondContact O-N 2.99Å | ||
| 30 | R | 92 | Very high | 95.2 | Very high | 198 Ų | 198 | 73.6 Ų | 73.6 | 75% | 0.747 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -62.7 | -24.4 | -179.5 | -73.3 | -170.2 | 174.8 | -159.6 | -1.2 | 113.5 | I26 L32 A33 | I26-R30 WeakPolarHBondContact O-CA 3.23Å; I26-R30 PolarHBondContact O-N 3.41Å; R30-L32 PolarHBondContact O-N 3.07Å; R30-A33 PolarHBondContact O-N 3.27Å |
| 31 | T | 93.2 | Very high | 95.2 | Very high | 88 Ų | 88 | 70.9 Ų | 70.9 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -67.6 | -20.3 | -178.7 | 71.9 | 0 | 0 | 0 | 0 | 112.1 | D29 A33 T34 R35 | D29-T31 PolarHBondContact O-N 3.28Å; D29-T31 WeakPolarHBondContact OD1-CB 3.4Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.49Å; D29-T31 PolarHBondContact OD1-N 3.26Å; D29-T31 PolarHBondContact OD1-OG1 3.13Å; D29-T31 PolarHBondContact OD2-OG1 3.47Å; D29-T31 VanDerWaalsContact OD2-OG1 3.11Å; T31-A33 VanDerWaalsContact C-N 3.26Å; T31-A33 PolarHBondContact O-N 2.76Å; T31-T34 PolarHBondContact O-N 2.93Å; T31-R35 PolarHBondContact O-N 2.87Å |
| 32 | L | 93.8 | Very high | 95.3 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -66.2 | -25.8 | 178.3 | -62 | 178.8 | 0 | 0 | 0 | 113.4 | V10 D29 R30 T34 R35 | V10-L32 HydrophobicContact CG1-CB 3.9Å; V10-L32 HydrophobicContact CG1-CD1 3.91Å; V10-L32 HydrophobicContact CG1-CG 4.37Å; V10-L32 HydrophobicContact CG2-CB 4.42Å; D29-L32 HydrophobicContact CB-CD1 3.93Å; D29-L32 HydrophobicContact CB-CG 3.92Å; D29-L32 WeakPolarHBondContact O-CB 3.45Å; D29-L32 WeakPolarHBondContact O-CG 3.2Å; D29-L32 PolarHBondContact O-N 2.99Å; R30-L32 PolarHBondContact O-N 3.07Å; L32-T34 VanDerWaalsContact C-N 3.26Å; L32-T34 PolarHBondContact O-N 3.46Å; L32-R35 PolarHBondContact O-N 3.18Å |
| 33 | A | 92.7 | Very high | 95.3 | Very high | 6 Ų | 6 | 67.4 Ų | 67.4 | 5% | 0.05 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -65 | -30.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | I26 R30 T31 L59 L62 V64 | I26-A33 HydrophobicContact CD1-CB 4.06Å; I26-A33 HydrophobicContact CG1-CB 4.28Å; I26-A33 HydrophobicContact CG2-CB 4.1Å; R30-A33 PolarHBondContact O-N 3.27Å; T31-A33 VanDerWaalsContact C-N 3.26Å; T31-A33 PolarHBondContact O-N 2.76Å; A33-L59 HydrophobicContact CB-CD2 4.47Å; A33-L62 HydrophobicContact CB-CD1 4.47Å; A33-V64 HydrophobicContact CB-CG1 3.95Å |
| 34 | T | 94.9 | Very high | 95.4 | Very high | 68 Ų | 68 | 64.2 Ų | 64.2 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -112.3 | 7.9 | 179.7 | 59.3 | 0 | 0 | 0 | 0 | 112.6 | T31 L32 V64 | T31-T34 PolarHBondContact O-N 2.93Å; L32-T34 VanDerWaalsContact C-N 3.26Å; L32-T34 PolarHBondContact O-N 3.46Å; T34-V64 HydrophobicContact CG2-CB 4.18Å; T34-V64 HydrophobicContact CG2-CG1 4.03Å |
| 35 | R | 96 | Very high | 95.5 | Very high | 132 Ų | 132 | 57.8 Ų | 57.8 | 50% | 0.498 | 30% | 0.3 | S | S | . | . | trans | -70.8 | 134.1 | 179 | -167.3 | 172.5 | 179 | 153.1 | -0.9 | 109.8 | L8 T31 L32 | L8-R35 HydrophobicContact CD1-CB 4.23Å; L8-R35 HydrophobicContact CD1-CG 3.8Å; T31-R35 PolarHBondContact O-N 2.87Å; L32-R35 PolarHBondContact O-N 3.18Å | ||
| 36 | T | 96.9 | Very high | 95.6 | Very high | 62 Ų | 62 | 57.1 Ų | 57.1 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | trans | -98.8 | 140.9 | -178.7 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | L8 N40 R41 T42 | L8-T36 VanDerWaalsContact CD1-C 3.48Å; L8-T36 WeakPolarHBondContact CD1-O 3.41Å; T36-N40 WeakPolarHBondContact CB-OD1 3.42Å; T36-N40 WeakPolarHBondContact CG2-OD1 3.43Å; T36-R41 CarbonylContact C-O 3.18Å; T36-R41 WeakPolarHBondContact CA-O 3.3Å; T36-T42 HydrophobicContact CG2-CG2 3.75Å | ||
| 37 | D | 96.2 | Very high | 95.8 | Very high | 12 Ų | 12 | 56.9 Ų | 56.9 | 6% | 0.064 | 29% | 0.292 | C | S | . | . | trans | -85.7 | -168.3 | 174 | 67.6 | 12.4 | 0 | 0 | 0 | 112.5 | S6 N7 L8 D39 N40 R41 W46 | S6-D37 WeakPolarHBondContact CB-OD2 3.47Å; S6-D37 WeakPolarHBondContact OG-CB 3.44Å; S6-D37 PolarHBondContact OG-OD2 3.15Å; N7-D37 VanDerWaalsContact OD1-CB 3.29Å; N7-D37 WeakPolarHBondContact OD1-CB 3.22Å; L8-D37 HydrophobicContact CB-CB 4.39Å; L8-D37 HydrophobicContact CD1-CB 3.97Å; L8-D37 HydrophobicContact CG-CB 3.9Å; D37-D39 PolarHBondContact O-N 3.26Å; D37-D39 PolarHBondContact OD1-N 3.01Å; D37-N40 PolarHBondContact O-N 3.3Å; D37-N40 VanDerWaalsContact O-N 3.13Å; D37-N40 PolarHBondContact OD1-N 2.94Å; D37-R41 PolarHBondContact N-O 3.3Å; D37-R41 WeakPolarHBondContact OD1-CA 3.42Å; D37-R41 WeakPolarHBondContact OD1-CB 3.41Å; D37-R41 PolarHBondContact OD1-N 3.01Å; D37-W46 PolarHBondContact OD2-NE1 3.18Å | ||
| 38 | Q | 95.7 | Very high | 96 | Very high | 93 Ų | 93 | 50.6 Ų | 50.6 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.7 | -178.7 | 76.9 | -85.5 | -18.4 | 0 | 0 | 115 | N7 | N7-Q38 VanDerWaalsContact N-OE1 3.08Å; N7-Q38 PolarHBondContact ND2-OE1 3.43Å; N7-Q38 PolarHBondContact OD1-OE1 2.81Å |
| 39 | D | 95.1 | Very high | 96.1 | Very high | 62 Ų | 62 | 48 Ų | 48 | 33% | 0.332 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 14.1 | 179 | -58.1 | -61.4 | 0 | 0 | 0 | 111.1 | D37 R41 D70 D71 | D37-D39 PolarHBondContact O-N 3.26Å; D37-D39 PolarHBondContact OD1-N 3.01Å; D39-R41 HydrophobicContact CB-CG 4.25Å; D39-R41 PolarHBondContact O-N 2.95Å; D39-D70 WeakPolarHBondContact O-CB 3.49Å; D39-D71 VanDerWaalsContact C-OD2 3.25Å; D39-D71 WeakPolarHBondContact CA-OD2 3.45Å; D39-D71 PolarHBondContact O-N 2.99Å |
| 40 | N | 97 | Very high | 96.2 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 34% | 0.337 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 56 | 29.8 | -170.8 | -161.3 | 46.2 | 0 | 0 | 0 | 113.7 | T36 D37 K69 D71 | T36-N40 WeakPolarHBondContact CB-OD1 3.42Å; T36-N40 WeakPolarHBondContact CG2-OD1 3.43Å; D37-N40 PolarHBondContact O-N 3.3Å; D37-N40 VanDerWaalsContact O-N 3.13Å; D37-N40 PolarHBondContact OD1-N 2.94Å; N40-K69 PolarHBondContact ND2-O 2.9Å; N40-D71 WeakPolarHBondContact CB-OD1 3.35Å |
| 41 | R | 97.8 | Very high | 96.4 | Very high | 59 Ų | 59 | 37.8 Ų | 37.8 | 22% | 0.223 | 20% | 0.204 | C | C | . | . | trans | -97.3 | 140.2 | 177.4 | -70.2 | 179.5 | 171.5 | 169.6 | 4 | 111.5 | T36 D37 D39 H45 D70 | T36-R41 CarbonylContact C-O 3.18Å; T36-R41 WeakPolarHBondContact CA-O 3.3Å; D37-R41 PolarHBondContact N-O 3.3Å; D37-R41 WeakPolarHBondContact OD1-CA 3.42Å; D37-R41 WeakPolarHBondContact OD1-CB 3.41Å; D37-R41 PolarHBondContact OD1-N 3.01Å; D39-R41 HydrophobicContact CB-CG 4.25Å; D39-R41 PolarHBondContact O-N 2.95Å; R41-H45 HydrophobicContact CB-CB 3.94Å; R41-H45 HydrophobicContact CG-CB 4.02Å; R41-D70 HydrophobicContact CG-CB 3.49Å; R41-D70 VanDerWaalsContact CG-CB 3.49Å; R41-D70 IonicContact CZ-OD2 3.23Å; R41-D70 VanDerWaalsContact CZ-OD2 3.23Å; R41-D70 IonicContact NE-OD2 2.81Å; R41-D70 PolarHBondContact NE-OD2 3.41Å; R41-D70 IonicContact NH2-OD2 2.77Å; R41-D70 PolarHBondContact NH2-OD2 3.2Å | ||
| 42 | T | 97.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | trans | -95.5 | 171.4 | 170.6 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | T36 L44 H45 W46 | T36-T42 HydrophobicContact CG2-CG2 3.75Å; T42-L44 PolarHBondContact O-N 3.03Å; T42-L44 VanDerWaalsContact O-N 3.11Å; T42-L44 PolarHBondContact OG1-N 2.95Å; T42-H45 PolarHBondContact N-ND1 2.97Å; T42-H45 WeakPolarHBondContact O-CB 3.48Å; T42-H45 PolarHBondContact O-N 3.4Å; T42-H45 PolarHBondContact OG1-ND1 2.86Å; T42-W46 PolarHBondContact O-N 3.15Å | ||
| 43 | A | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -51.6 | -33.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | A14 H45 W46 A47 L59 | A14-A43 HydrophobicContact CB-CB 3.84Å; A14-A43 WeakPolarHBondContact CB-O 3.5Å; A43-H45 PolarHBondContact O-N 3.33Å; A43-W46 PolarHBondContact O-N 3.25Å; A43-A47 WeakPolarHBondContact O-CB 3.4Å; A43-A47 PolarHBondContact O-N 3.05Å; A43-L59 HydrophobicContact CB-CD1 4.08Å |
| 44 | L | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 178 | -178.4 | 62.2 | 0 | 0 | 0 | 112.2 | T42 W46 A47 C48 V56 L59 L60 V64 P76 L92 | T42-L44 PolarHBondContact O-N 3.03Å; T42-L44 VanDerWaalsContact O-N 3.11Å; T42-L44 PolarHBondContact OG1-N 2.95Å; L44-W46 PolarHBondContact O-N 3.25Å; L44-A47 PolarHBondContact O-N 2.92Å; L44-C48 WeakPolarHBondContact O-CB 3.42Å; L44-C48 PolarHBondContact O-N 3.04Å; L44-C48 PolarHBondContact O-SG 3.07Å; L44-V56 HydrophobicContact CD1-CB 4.48Å; L44-V56 HydrophobicContact CD1-CG1 4.01Å; L44-V56 HydrophobicContact CD1-CG2 4.27Å; L44-L59 HydrophobicContact CB-CD1 4.16Å; L44-L59 HydrophobicContact CD1-CB 4.4Å; L44-L59 HydrophobicContact CD1-CD1 4.35Å; L44-L60 HydrophobicContact CD1-CD2 4.46Å; L44-L60 HydrophobicContact CD2-CD2 4.41Å; L44-V64 HydrophobicContact CD2-CG2 3.93Å; L44-P76 HydrophobicContact CD2-CB 4.12Å; L44-P76 HydrophobicContact CD2-CG 3.73Å; L44-P76 HydrophobicContact CG-CB 4.13Å; L44-P76 HydrophobicContact CG-CG 4Å; L44-L92 HydrophobicContact CD2-CD2 4.47Å |
| 45 | H | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 178.4 | -67.5 | 81.3 | 0 | 0 | 0 | 111 | R41 T42 A43 C48 S49 D68 W74 I79 | R41-H45 HydrophobicContact CB-CB 3.94Å; R41-H45 HydrophobicContact CG-CB 4.02Å; T42-H45 PolarHBondContact N-ND1 2.97Å; T42-H45 WeakPolarHBondContact O-CB 3.48Å; T42-H45 PolarHBondContact O-N 3.4Å; T42-H45 PolarHBondContact OG1-ND1 2.86Å; A43-H45 PolarHBondContact O-N 3.33Å; H45-C48 PolarHBondContact O-N 3.39Å; H45-S49 PolarHBondContact O-N 3.21Å; H45-D68 PolarHBondContact NE2-O 2.74Å; H45-W74 PolarHBondContact NE2-O 3.2Å; H45-I79 HydrophobicContact CB-CD1 3.79Å |
| 46 | W | 97.8 | Very high | 97.3 | Very high | 21 Ų | 21 | 33.9 Ų | 33.9 | 8% | 0.08 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.2 | -40.6 | -179.5 | -70.8 | 107.9 | 0 | 0 | 0 | 112.9 | V5 C11 A14 Y15 D37 T42 A43 L44 C48 S49 A50 | V5-W46 HydrophobicContact CB-CE3 4.45Å; V5-W46 HydrophobicContact CB-CH2 3.9Å; V5-W46 HydrophobicContact CB-CZ3 3.83Å; V5-W46 HydrophobicContact CG2-CD2 4.33Å; V5-W46 HydrophobicContact CG2-CE3 3.92Å; V5-W46 HydrophobicContact CG2-CH2 4.13Å; V5-W46 HydrophobicContact CG2-CZ3 3.82Å; V5-W46 WeakPolarHBondContact O-CH2 3.4Å; C11-W46 VanDerWaalsContact CB-CD1 3.43Å; C11-W46 HydrophobicContact CB-CG 4.18Å; A14-W46 HydrophobicContact CB-CB 4.39Å; Y15-W46 AromaticContact CD2-CE3 3.73Å; Y15-W46 HydrophobicContact CD2-CE3 3.73Å; Y15-W46 HydrophobicContact CD2-CZ3 4.3Å; Y15-W46 HydrophobicContact CE2-CE3 4.33Å; Y15-W46 HydrophobicContact CG-CE3 4.29Å; D37-W46 PolarHBondContact OD2-NE1 3.18Å; T42-W46 PolarHBondContact O-N 3.15Å; A43-W46 PolarHBondContact O-N 3.25Å; L44-W46 PolarHBondContact O-N 3.25Å; W46-C48 VanDerWaalsContact C-N 3.33Å; W46-C48 PolarHBondContact O-N 3.31Å; W46-S49 PolarHBondContact O-N 3.09Å; W46-A50 WeakPolarHBondContact O-CB 3.24Å; W46-A50 PolarHBondContact O-N 3.35Å |
| 47 | A | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A14 A43 L44 A50 G51 H52 I55 V56 L59 | A14-A47 HydrophobicContact CB-CB 4.35Å; A43-A47 WeakPolarHBondContact O-CB 3.4Å; A43-A47 PolarHBondContact O-N 3.05Å; L44-A47 PolarHBondContact O-N 2.92Å; A47-A50 PolarHBondContact O-N 3.49Å; A47-G51 PolarHBondContact O-N 2.95Å; A47-H52 PolarHBondContact O-N 3.45Å; A47-I55 HydrophobicContact CB-CB 4.22Å; A47-I55 HydrophobicContact CB-CG2 3.58Å; A47-V56 HydrophobicContact CB-CG2 3.69Å; A47-L59 HydrophobicContact CB-CD1 4.48Å |
| 48 | C | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -39.5 | 174.5 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | L44 H45 W46 I79 A80 R85 I88 | L44-C48 WeakPolarHBondContact O-CB 3.42Å; L44-C48 PolarHBondContact O-N 3.04Å; L44-C48 PolarHBondContact O-SG 3.07Å; H45-C48 PolarHBondContact O-N 3.39Å; W46-C48 VanDerWaalsContact C-N 3.33Å; W46-C48 PolarHBondContact O-N 3.31Å; C48-I79 HydrophobicContact CB-CB 4.42Å; C48-I79 HydrophobicContact CB-CG2 4.12Å; C48-A80 HydrophobicContact CB-CB 4.34Å; C48-R85 WeakPolarHBondContact O-CG 3.42Å; C48-I88 HydrophobicContact CB-CG2 4.22Å |
| 49 | S | 97.3 | Very high | 97.5 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 28% | 0.28 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.8 | -48.2 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | H45 W46 G51 I79 R85 | H45-S49 PolarHBondContact O-N 3.21Å; W46-S49 PolarHBondContact O-N 3.09Å; S49-G51 PolarHBondContact O-N 2.86Å; S49-I79 VanDerWaalsContact CA-CG2 3.47Å; S49-R85 PolarHBondContact O-NE 3.11Å; S49-R85 PolarHBondContact O-NH2 3.01Å |
| 50 | A | 96.7 | Very high | 97.6 | Very high | 24 Ų | 24 | 29.1 Ų | 29.1 | 20% | 0.198 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.3 | -28.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y15 W46 A47 H52 R85 | Y15-A50 HydrophobicContact CD2-CB 3.95Å; Y15-A50 HydrophobicContact CE2-CB 4.33Å; Y15-A50 VanDerWaalsContact O-CB 3.22Å; Y15-A50 WeakPolarHBondContact O-CB 3.3Å; W46-A50 WeakPolarHBondContact O-CB 3.24Å; W46-A50 PolarHBondContact O-N 3.35Å; A47-A50 PolarHBondContact O-N 3.49Å; A50-H52 WeakPolarHBondContact CB-CD2 3.18Å; A50-H52 WeakPolarHBondContact CB-NE2 3.38Å; A50-R85 PolarHBondContact O-NH2 3.15Å; A50-R85 VanDerWaalsContact O-NH2 3.13Å |
| 51 | G | 97.1 | Very high | 97.6 | Very high | 22 Ų | 22 | 33 Ų | 33 | 23% | 0.227 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92 | 22.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A47 S49 T53 | A47-G51 PolarHBondContact O-N 2.95Å; S49-G51 PolarHBondContact O-N 2.86Å; G51-T53 PolarHBondContact O-N 3.32Å; G51-T53 VanDerWaalsContact O-N 3.13Å |
| 52 | H | 97.9 | Very high | 97.4 | Very high | 61 Ų | 61 | 33.8 Ų | 33.8 | 28% | 0.282 | 18% | 0.177 | S | C | . | . | trans | -84.2 | 86.3 | -178.6 | -62.4 | -54.8 | 0 | 0 | 0 | 111.1 | A14 Y15 G17 A47 A50 E54 I55 V56 | A14-H52 PolarHBondContact O-CD2 3.19Å; A14-H52 VanDerWaalsContact O-CD2 3.23Å; Y15-H52 PolarHBondContact O-CD2 2.79Å; Y15-H52 PolarHBondContact O-NE2 2.81Å; G17-H52 VanDerWaalsContact CA-CD2 3.45Å; G17-H52 WeakPolarHBondContact CA-CD2 3.11Å; G17-H52 VanDerWaalsContact CA-NE2 3.31Å; G17-H52 WeakPolarHBondContact CA-NE2 3.36Å; G17-H52 PolarHBondContact N-NE2 2.97Å; A47-H52 PolarHBondContact O-N 3.45Å; A50-H52 WeakPolarHBondContact CB-CD2 3.18Å; A50-H52 WeakPolarHBondContact CB-NE2 3.38Å; H52-E54 PolarHBondContact O-N 3.4Å; H52-I55 HydrophobicContact CB-CB 4.05Å; H52-I55 HydrophobicContact CB-CD1 3.9Å; H52-I55 HydrophobicContact CB-CG1 4.14Å; H52-I55 PolarHBondContact O-N 3.43Å; H52-V56 PolarHBondContact O-N 2.96Å; H52-V56 VanDerWaalsContact O-N 3.07Å | ||
| 53 | T | 97.8 | Very high | 97.3 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 28% | 0.282 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -55.5 | -45.2 | -175.4 | -51.8 | 0 | 0 | 0 | 0 | 112.8 | G51 I55 V56 E57 E87 | G51-T53 PolarHBondContact O-N 3.32Å; G51-T53 VanDerWaalsContact O-N 3.13Å; T53-I55 VanDerWaalsContact C-N 3.31Å; T53-I55 PolarHBondContact O-N 2.95Å; T53-V56 PolarHBondContact O-N 2.96Å; T53-V56 VanDerWaalsContact O-N 3.15Å; T53-E57 HydrophobicContact CG2-CG 4.33Å; T53-E57 WeakPolarHBondContact O-CG 3.33Å; T53-E57 PolarHBondContact O-N 3.3Å; T53-E87 HydrophobicContact CG2-CB 3.97Å |
| 54 | E | 97.8 | Very high | 97.3 | Very high | 134 Ų | 134 | 37.1 Ų | 37.1 | 63% | 0.626 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -62.3 | -36.7 | -179.6 | -64 | -175.4 | -179.9 | 0 | 0 | 112.9 | L19 H52 F58 | L19-E54 HydrophobicContact CD2-CB 4Å; L19-E54 WeakPolarHBondContact CD2-OE2 3.36Å; H52-E54 PolarHBondContact O-N 3.4Å; E54-F58 WeakPolarHBondContact O-CB 3.47Å; E54-F58 PolarHBondContact O-N 2.99Å |
| 55 | I | 98 | Very high | 97.2 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.6 | -45.3 | 175.5 | -69.4 | 177.1 | 0 | 0 | 0 | 110 | A14 L19 L22 A47 H52 T53 F58 L59 | A14-I55 HydrophobicContact CB-CG2 4.41Å; L19-I55 HydrophobicContact CB-CG1 4.12Å; L19-I55 HydrophobicContact CD1-CB 4.37Å; L19-I55 HydrophobicContact CD1-CG1 3.59Å; L19-I55 HydrophobicContact CG-CG1 4.44Å; L22-I55 HydrophobicContact CD2-CB 4.4Å; L22-I55 HydrophobicContact CD2-CD1 4.32Å; L22-I55 HydrophobicContact CD2-CG1 4.22Å; L22-I55 HydrophobicContact CD2-CG2 3.42Å; L22-I55 VanDerWaalsContact CD2-CG2 3.42Å; A47-I55 HydrophobicContact CB-CB 4.22Å; A47-I55 HydrophobicContact CB-CG2 3.58Å; H52-I55 HydrophobicContact CB-CB 4.05Å; H52-I55 HydrophobicContact CB-CD1 3.9Å; H52-I55 HydrophobicContact CB-CG1 4.14Å; H52-I55 PolarHBondContact O-N 3.43Å; T53-I55 VanDerWaalsContact C-N 3.31Å; T53-I55 PolarHBondContact O-N 2.95Å; I55-F58 PolarHBondContact O-N 3.36Å; I55-L59 HydrophobicContact CG2-CD1 3.87Å; I55-L59 HydrophobicContact CG2-CG 4.34Å; I55-L59 VanDerWaalsContact O-CG 3.28Å; I55-L59 WeakPolarHBondContact O-CG 3.2Å; I55-L59 PolarHBondContact O-N 3.19Å |
| 56 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -49.9 | 177 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | L44 A47 H52 T53 F58 L59 L60 I88 | L44-V56 HydrophobicContact CD1-CB 4.48Å; L44-V56 HydrophobicContact CD1-CG1 4.01Å; L44-V56 HydrophobicContact CD1-CG2 4.27Å; A47-V56 HydrophobicContact CB-CG2 3.69Å; H52-V56 PolarHBondContact O-N 2.96Å; H52-V56 VanDerWaalsContact O-N 3.07Å; T53-V56 PolarHBondContact O-N 2.96Å; T53-V56 VanDerWaalsContact O-N 3.15Å; V56-F58 VanDerWaalsContact C-N 3.32Å; V56-F58 PolarHBondContact O-N 3.41Å; V56-L59 PolarHBondContact O-N 3.05Å; V56-L60 HydrophobicContact CG1-CD1 3.59Å; V56-L60 HydrophobicContact CG1-CG 4.02Å; V56-L60 WeakPolarHBondContact O-CB 3.4Å; V56-L60 WeakPolarHBondContact O-CG 3.37Å; V56-L60 PolarHBondContact O-N 3.45Å; V56-I88 HydrophobicContact CB-CG1 4.35Å; V56-I88 HydrophobicContact CG1-CG2 4.2Å; V56-I88 HydrophobicContact CG2-CD1 3.85Å; V56-I88 HydrophobicContact CG2-CG1 4.08Å; V56-I88 HydrophobicContact CG2-CG2 4.19Å |
| 57 | E | 97.8 | Very high | 97.2 | Very high | 88 Ų | 88 | 41.7 Ų | 41.7 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.6 | -43.7 | 179.2 | -73.2 | 180 | 175.9 | 0 | 0 | 112.1 | T53 L60 Q61 | T53-E57 HydrophobicContact CG2-CG 4.33Å; T53-E57 WeakPolarHBondContact O-CG 3.33Å; T53-E57 PolarHBondContact O-N 3.3Å; E57-L60 PolarHBondContact O-N 3.41Å; E57-Q61 WeakPolarHBondContact O-CB 3.39Å; E57-Q61 VanDerWaalsContact O-CG 3.23Å; E57-Q61 WeakPolarHBondContact O-CG 3.3Å; E57-Q61 PolarHBondContact O-N 3.02Å |
| 58 | F | 97.4 | Very high | 97.2 | Very high | 34 Ų | 34 | 45 Ų | 45 | 15% | 0.149 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 174.7 | 172.5 | -110.5 | 0 | 0 | 0 | 112 | L19 K23 I26 E54 I55 V56 L60 Q61 L62 | L19-F58 HydrophobicContact CD1-CB 4.39Å; K23-F58 HydrophobicContact CB-CZ 4.33Å; K23-F58 HydrophobicContact CG-CD1 4.11Å; K23-F58 HydrophobicContact CG-CD2 4.28Å; K23-F58 HydrophobicContact CG-CE1 3.76Å; K23-F58 HydrophobicContact CG-CE2 3.95Å; K23-F58 HydrophobicContact CG-CG 4.35Å; K23-F58 HydrophobicContact CG-CZ 3.68Å; I26-F58 HydrophobicContact CD1-CE1 3.99Å; E54-F58 WeakPolarHBondContact O-CB 3.47Å; E54-F58 PolarHBondContact O-N 2.99Å; I55-F58 PolarHBondContact O-N 3.36Å; V56-F58 VanDerWaalsContact C-N 3.32Å; V56-F58 PolarHBondContact O-N 3.41Å; F58-L60 VanDerWaalsContact C-N 3.33Å; F58-L60 PolarHBondContact O-N 3.43Å; F58-Q61 WeakPolarHBondContact O-CB 3.28Å; F58-Q61 PolarHBondContact O-N 3.2Å; F58-L62 HydrophobicContact CD1-CD1 4.38Å; F58-L62 HydrophobicContact CE1-CD1 3.78Å; F58-L62 HydrophobicContact CE2-CD1 4.31Å; F58-L62 HydrophobicContact CE2-CD2 4.49Å; F58-L62 HydrophobicContact CE2-CG 4.4Å; F58-L62 HydrophobicContact CZ-CD1 3.74Å; F58-L62 HydrophobicContact CZ-CD2 4.49Å; F58-L62 HydrophobicContact CZ-CG 4.3Å; F58-L62 PolarHBondContact O-N 3.4Å |
| 59 | L | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 178 | -68.3 | 171.9 | 0 | 0 | 0 | 111.7 | I26 A33 A43 L44 A47 I55 V56 Q61 L62 G63 V64 | I26-L59 HydrophobicContact CD1-CD2 3.7Å; A33-L59 HydrophobicContact CB-CD2 4.47Å; A43-L59 HydrophobicContact CB-CD1 4.08Å; L44-L59 HydrophobicContact CB-CD1 4.16Å; L44-L59 HydrophobicContact CD1-CB 4.4Å; L44-L59 HydrophobicContact CD1-CD1 4.35Å; A47-L59 HydrophobicContact CB-CD1 4.48Å; I55-L59 HydrophobicContact CG2-CD1 3.87Å; I55-L59 HydrophobicContact CG2-CG 4.34Å; I55-L59 VanDerWaalsContact O-CG 3.28Å; I55-L59 WeakPolarHBondContact O-CG 3.2Å; I55-L59 PolarHBondContact O-N 3.19Å; V56-L59 PolarHBondContact O-N 3.05Å; L59-Q61 VanDerWaalsContact C-N 3.33Å; L59-Q61 PolarHBondContact O-N 3.3Å; L59-L62 WeakPolarHBondContact O-CB 3.34Å; L59-L62 PolarHBondContact O-N 2.86Å; L59-G63 PolarHBondContact O-N 3.45Å; L59-V64 HydrophobicContact CB-CG2 4.14Å; L59-V64 WeakPolarHBondContact O-CG2 3.4Å |
| 60 | L | 97.1 | Very high | 97.3 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.8 | -29.7 | 177.2 | -68.9 | 179.4 | 0 | 0 | 0 | 113.3 | L44 V56 E57 F58 L62 G63 V66 A91 L92 K95 | L44-L60 HydrophobicContact CD1-CD2 4.46Å; L44-L60 HydrophobicContact CD2-CD2 4.41Å; V56-L60 HydrophobicContact CG1-CD1 3.59Å; V56-L60 HydrophobicContact CG1-CG 4.02Å; V56-L60 WeakPolarHBondContact O-CB 3.4Å; V56-L60 WeakPolarHBondContact O-CG 3.37Å; V56-L60 PolarHBondContact O-N 3.45Å; E57-L60 PolarHBondContact O-N 3.41Å; F58-L60 VanDerWaalsContact C-N 3.33Å; F58-L60 PolarHBondContact O-N 3.43Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L60-G63 PolarHBondContact O-N 3.05Å; L60-V66 HydrophobicContact CD2-CB 4.48Å; L60-V66 HydrophobicContact CD2-CG1 3.27Å; L60-A91 HydrophobicContact CD1-CB 3.87Å; L60-L92 HydrophobicContact CD1-CD2 4.34Å; L60-L92 HydrophobicContact CD2-CD2 4.11Å; L60-K95 HydrophobicContact CB-CG 4.13Å; L60-K95 HydrophobicContact CD1-CG 4.04Å; L60-K95 HydrophobicContact CD2-CB 4.31Å; L60-K95 HydrophobicContact CD2-CG 4.2Å; L60-K95 HydrophobicContact CG-CG 4.35Å |
| 61 | Q | 96.3 | Very high | 97.3 | Very high | 144 Ų | 144 | 50.4 Ų | 50.4 | 67% | 0.673 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -70.6 | -30.6 | 172.7 | -74.2 | 169.4 | 14.6 | 0 | 0 | 112.1 | E57 F58 L59 G63 | E57-Q61 WeakPolarHBondContact O-CB 3.39Å; E57-Q61 VanDerWaalsContact O-CG 3.23Å; E57-Q61 WeakPolarHBondContact O-CG 3.3Å; E57-Q61 PolarHBondContact O-N 3.02Å; F58-Q61 WeakPolarHBondContact O-CB 3.28Å; F58-Q61 PolarHBondContact O-N 3.2Å; L59-Q61 VanDerWaalsContact C-N 3.33Å; L59-Q61 PolarHBondContact O-N 3.3Å; Q61-G63 PolarHBondContact O-N 3.44Å |
| 62 | L | 94.9 | Very high | 97.3 | Very high | 76 Ų | 76 | 51 Ų | 51 | 40% | 0.398 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -11.2 | 173.4 | -65.5 | 174.7 | 0 | 0 | 0 | 113.4 | I26 A33 F58 L59 L60 V64 | I26-L62 HydrophobicContact CG2-CD1 3.65Å; A33-L62 HydrophobicContact CB-CD1 4.47Å; F58-L62 HydrophobicContact CD1-CD1 4.38Å; F58-L62 HydrophobicContact CE1-CD1 3.78Å; F58-L62 HydrophobicContact CE2-CD1 4.31Å; F58-L62 HydrophobicContact CE2-CD2 4.49Å; F58-L62 HydrophobicContact CE2-CG 4.4Å; F58-L62 HydrophobicContact CZ-CD1 3.74Å; F58-L62 HydrophobicContact CZ-CD2 4.49Å; F58-L62 HydrophobicContact CZ-CG 4.3Å; F58-L62 PolarHBondContact O-N 3.4Å; L59-L62 WeakPolarHBondContact O-CB 3.34Å; L59-L62 PolarHBondContact O-N 2.86Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L62-V64 HydrophobicContact CB-CG1 4.45Å |
| 63 | G | 94.8 | Very high | 97.4 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 63% | 0.629 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 29.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L59 L60 Q61 | L59-G63 PolarHBondContact O-N 3.45Å; L60-G63 PolarHBondContact O-N 3.05Å; Q61-G63 PolarHBondContact O-N 3.44Å |
| 64 | V | 96.1 | Very high | 97.4 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | trans | -61.5 | 148.6 | 172.5 | -56.1 | 0 | 0 | 0 | 0 | 110.5 | A33 T34 L44 L59 L62 V66 | A33-V64 HydrophobicContact CB-CG1 3.95Å; T34-V64 HydrophobicContact CG2-CB 4.18Å; T34-V64 HydrophobicContact CG2-CG1 4.03Å; L44-V64 HydrophobicContact CD2-CG2 3.93Å; L59-V64 HydrophobicContact CB-CG2 4.14Å; L59-V64 WeakPolarHBondContact O-CG2 3.4Å; L62-V64 HydrophobicContact CB-CG1 4.45Å; V64-V66 PolarHBondContact O-N 3.43Å | ||
| 65 | P | 97.5 | Very high | 97.4 | Very high | 59 Ų | 59 | 42.4 Ų | 42.4 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | trans | -60.9 | 127.8 | 175.9 | -20.7 | 32.1 | 0 | 0 | 0 | 111.5 | D68 | P65-D68 WeakPolarHBondContact CB-OD1 3.46Å; P65-D68 WeakPolarHBondContact CB-OD2 3.46Å | ||
| 66 | V | 97.6 | Very high | 97.5 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -92.2 | -9.9 | -177.2 | -57.3 | 0 | 0 | 0 | 0 | 113.8 | L60 V64 P76 L92 K95 A97 | L60-V66 HydrophobicContact CD2-CB 4.48Å; L60-V66 HydrophobicContact CD2-CG1 3.27Å; V64-V66 PolarHBondContact O-N 3.43Å; V66-P76 WeakPolarHBondContact O-CD 3.47Å; V66-L92 HydrophobicContact CB-CD2 4.45Å; V66-K95 HydrophobicContact CG1-CB 4.1Å; V66-A97 HydrophobicContact CG2-CB 4.36Å |
| 67 | N | 98.3 | Very high | 97.5 | Very high | 48 Ų | 48 | 42.3 Ų | 42.3 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -113.5 | 2.3 | -172.5 | -68.4 | -48.6 | 0 | 0 | 0 | 113.4 | G96 A97 Q98 | N67-G96 PolarHBondContact ND2-O 3.44Å; N67-A97 WeakPolarHBondContact OD1-CA 3.41Å; N67-Q98 PolarHBondContact OD1-N 2.94Å |
| 68 | D | 97.9 | Very high | 97.5 | Very high | 70 Ų | 70 | 38.1 Ų | 38.1 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | trans | -58.9 | 145.9 | 173.7 | -71.5 | -6.4 | 0 | 0 | 0 | 109.6 | H45 P65 S75 P76 | H45-D68 PolarHBondContact NE2-O 2.74Å; P65-D68 WeakPolarHBondContact CB-OD1 3.46Å; P65-D68 WeakPolarHBondContact CB-OD2 3.46Å; D68-S75 WeakPolarHBondContact O-CA 3.49Å; D68-P76 WeakPolarHBondContact O-CD 3.39Å | ||
| 69 | K | 98.4 | Very high | 97.6 | Very high | 76 Ų | 76 | 37 Ų | 37 | 33% | 0.33 | 21% | 0.212 | S | C | . | . | trans | -116.8 | 140.1 | -177.3 | -66.9 | 179.6 | -179.9 | -176.6 | 0 | 109.8 | N40 G73 W74 V102 | N40-K69 PolarHBondContact ND2-O 2.9Å; K69-G73 WeakPolarHBondContact CD-O 3.35Å; K69-W74 WeakPolarHBondContact CA-O 3.43Å; K69-V102 WeakPolarHBondContact CE-O 3.48Å; K69-V102 PolarHBondContact NZ-O 2.98Å | ||
| 70 | D | 98 | Very high | 97.7 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | trans | -70.3 | 178 | 169.5 | 78.6 | 2.6 | 0 | 0 | 0 | 112.1 | D39 R41 A72 G73 W74 | D39-D70 WeakPolarHBondContact O-CB 3.49Å; R41-D70 HydrophobicContact CG-CB 3.49Å; R41-D70 VanDerWaalsContact CG-CB 3.49Å; R41-D70 IonicContact CZ-OD2 3.23Å; R41-D70 VanDerWaalsContact CZ-OD2 3.23Å; R41-D70 IonicContact NE-OD2 2.81Å; R41-D70 PolarHBondContact NE-OD2 3.41Å; R41-D70 IonicContact NH2-OD2 2.77Å; R41-D70 PolarHBondContact NH2-OD2 3.2Å; D70-A72 PolarHBondContact O-N 2.69Å; D70-A72 VanDerWaalsContact O-N 3.12Å; D70-A72 WeakPolarHBondContact OD1-CA 3.49Å; D70-A72 WeakPolarHBondContact OD1-CB 3.23Å; D70-A72 PolarHBondContact OD1-N 3.16Å; D70-G73 WeakPolarHBondContact O-CA 3.03Å; D70-G73 PolarHBondContact O-N 2.84Å; D70-G73 PolarHBondContact OD1-N 2.95Å; D70-G73 VanDerWaalsContact OD1-N 3.13Å; D70-W74 PolarHBondContact N-O 2.92Å; D70-W74 WeakPolarHBondContact OD1-CB 3.4Å; D70-W74 PolarHBondContact OD1-N 3.21Å | ||
| 71 | D | 97.7 | Very high | 97.7 | Very high | 93 Ų | 93 | 36.7 Ų | 36.7 | 50% | 0.497 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.2 | -178.8 | -77.2 | -24.8 | 0 | 0 | 0 | 114.1 | D39 N40 Q104 | D39-D71 VanDerWaalsContact C-OD2 3.25Å; D39-D71 WeakPolarHBondContact CA-OD2 3.45Å; D39-D71 PolarHBondContact O-N 2.99Å; N40-D71 WeakPolarHBondContact CB-OD1 3.35Å; D71-Q104 PolarHBondContact O-NE2 3.24Å |
| 72 | A | 97.7 | Very high | 97.9 | Very high | 35 Ų | 35 | 31 Ų | 31 | 29% | 0.289 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 5.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D70 W74 Q104 | D70-A72 PolarHBondContact O-N 2.69Å; D70-A72 VanDerWaalsContact O-N 3.12Å; D70-A72 WeakPolarHBondContact OD1-CA 3.49Å; D70-A72 WeakPolarHBondContact OD1-CB 3.23Å; D70-A72 PolarHBondContact OD1-N 3.16Å; A72-W74 VanDerWaalsContact C-N 3.31Å; A72-Q104 WeakPolarHBondContact O-CB 3.32Å; A72-Q104 WeakPolarHBondContact O-CG 3.44Å; A72-Q104 PolarHBondContact O-N 3.21Å; A72-Q104 VanDerWaalsContact O-N 3.13Å |
| 73 | G | 98.3 | Very high | 98 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | trans | 77.8 | 10 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K69 D70 S75 N103 | K69-G73 WeakPolarHBondContact CD-O 3.35Å; D70-G73 WeakPolarHBondContact O-CA 3.03Å; D70-G73 PolarHBondContact O-N 2.84Å; D70-G73 PolarHBondContact OD1-N 2.95Å; D70-G73 VanDerWaalsContact OD1-N 3.13Å; G73-S75 PolarHBondContact O-N 3.24Å; G73-N103 VanDerWaalsContact O-CA 3.28Å; G73-N103 WeakPolarHBondContact O-CA 3.28Å; G73-N103 WeakPolarHBondContact O-CB 3.45Å | ||
| 74 | W | 98.6 | Very high | 98.2 | Very high | 48 Ų | 48 | 26.8 Ų | 26.8 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | trans | -78.8 | 124.1 | -179.8 | -71.6 | 60.9 | 0 | 0 | 0 | 110.6 | H45 K69 D70 A72 H78 I79 N103 Y112 | H45-W74 PolarHBondContact NE2-O 3.2Å; K69-W74 WeakPolarHBondContact CA-O 3.43Å; D70-W74 PolarHBondContact N-O 2.92Å; D70-W74 WeakPolarHBondContact OD1-CB 3.4Å; D70-W74 PolarHBondContact OD1-N 3.21Å; A72-W74 VanDerWaalsContact C-N 3.31Å; W74-H78 HydrophobicContact CB-CB 4.28Å; W74-H78 HydrophobicContact CD2-CB 4.02Å; W74-H78 HydrophobicContact CE3-CB 3.4Å; W74-H78 VanDerWaalsContact CE3-CB 3.4Å; W74-H78 HydrophobicContact CG-CB 4.41Å; W74-H78 HydrophobicContact CZ3-CB 4Å; W74-I79 HydrophobicContact CB-CG1 4.28Å; W74-I79 HydrophobicContact CE3-CG1 3.87Å; W74-N103 HydrophobicContact CG-CB 4.48Å; W74-N103 PolarHBondContact NE1-ND2 3.23Å; W74-Y112 AromaticContact CH2-CD1 3.68Å; W74-Y112 HydrophobicContact CH2-CD1 3.68Å; W74-Y112 HydrophobicContact CH2-CD2 4.2Å; W74-Y112 AromaticContact CH2-CE1 3.3Å; W74-Y112 HydrophobicContact CH2-CE1 3.3Å; W74-Y112 AromaticContact CH2-CE2 3.85Å; W74-Y112 HydrophobicContact CH2-CE2 3.85Å; W74-Y112 HydrophobicContact CH2-CG 4.12Å; W74-Y112 AromaticContact CH2-CZ 3.4Å; W74-Y112 VanDerWaalsContact CH2-CZ 3.4Å; W74-Y112 HydrophobicContact CZ2-CD1 4.37Å; W74-Y112 AromaticContact CZ2-CE1 3.54Å; W74-Y112 HydrophobicContact CZ2-CE1 3.54Å; W74-Y112 AromaticContact CZ2-CE2 3.98Å; W74-Y112 HydrophobicContact CZ2-CE2 3.98Å; W74-Y112 AromaticContact CZ2-CZ 3.31Å; W74-Y112 VanDerWaalsContact CZ2-OH 3.25Å; W74-Y112 WeakPolarHBondContact CZ2-OH 3.36Å; W74-Y112 HydrophobicContact CZ3-CD1 4.44Å; W74-Y112 HydrophobicContact CZ3-CD2 4.43Å; W74-Y112 HydrophobicContact CZ3-CE1 4.36Å; W74-Y112 HydrophobicContact CZ3-CE2 4.34Å; W74-Y112 HydrophobicContact CZ3-CG 4.49Å | ||
| 75 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -82.7 | 163.7 | 166.6 | 74.5 | 0 | 0 | 0 | 0 | 111.5 | D68 G73 L77 H78 I79 | D68-S75 WeakPolarHBondContact O-CA 3.49Å; G73-S75 PolarHBondContact O-N 3.24Å; S75-L77 PolarHBondContact O-N 3.1Å; S75-L77 VanDerWaalsContact O-N 3.11Å; S75-L77 PolarHBondContact OG-N 2.91Å; S75-H78 PolarHBondContact N-ND1 3.12Å; S75-H78 WeakPolarHBondContact O-CB 3.08Å; S75-H78 PolarHBondContact O-N 2.95Å; S75-H78 PolarHBondContact OG-ND1 3.17Å; S75-I79 PolarHBondContact O-N 3.06Å | ||
| 76 | P | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -50 | -36.8 | 172.1 | -30.5 | 35.7 | 0 | 0 | 0 | 113.5 | L44 V66 D68 I79 A80 L92 | L44-P76 HydrophobicContact CD2-CB 4.12Å; L44-P76 HydrophobicContact CD2-CG 3.73Å; L44-P76 HydrophobicContact CG-CB 4.13Å; L44-P76 HydrophobicContact CG-CG 4Å; V66-P76 WeakPolarHBondContact O-CD 3.47Å; D68-P76 WeakPolarHBondContact O-CD 3.39Å; P76-I79 PolarHBondContact O-N 2.89Å; P76-A80 WeakPolarHBondContact O-CB 3.47Å; P76-A80 PolarHBondContact O-N 2.69Å; P76-L92 HydrophobicContact CB-CD1 4.08Å; P76-L92 HydrophobicContact CB-CD2 4.09Å |
| 77 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -36.1 | 178.1 | -171.7 | 61.5 | 0 | 0 | 0 | 112.7 | S75 A81 V89 L92 L93 A97 P109 L125 | S75-L77 PolarHBondContact O-N 3.1Å; S75-L77 VanDerWaalsContact O-N 3.11Å; S75-L77 PolarHBondContact OG-N 2.91Å; L77-A81 WeakPolarHBondContact O-CB 3.32Å; L77-A81 PolarHBondContact O-N 3.19Å; L77-V89 HydrophobicContact CD1-CB 4.46Å; L77-V89 HydrophobicContact CD1-CG1 4.05Å; L77-V89 HydrophobicContact CD1-CG2 4.28Å; L77-L92 HydrophobicContact CB-CD1 4.41Å; L77-L92 HydrophobicContact CD1-CB 4.3Å; L77-L92 HydrophobicContact CD1-CD1 4.3Å; L77-L93 HydrophobicContact CD1-CD2 4.3Å; L77-L93 HydrophobicContact CD1-CG 4.46Å; L77-L93 HydrophobicContact CD2-CD2 4Å; L77-A97 HydrophobicContact CB-CB 4.34Å; L77-A97 HydrophobicContact CD2-CB 4.06Å; L77-P109 HydrophobicContact CB-CG 4.29Å; L77-P109 HydrophobicContact CD2-CB 4.46Å; L77-P109 HydrophobicContact CD2-CG 3.98Å; L77-P109 HydrophobicContact CG-CB 4.1Å; L77-P109 HydrophobicContact CG-CG 3.85Å; L77-L125 HydrophobicContact CD1-CD2 4.16Å; L77-L125 HydrophobicContact CD2-CD2 3.98Å; L77-L125 HydrophobicContact CG-CD2 4.23Å |
| 78 | H | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 173.4 | -69.4 | 84.4 | 0 | 0 | 0 | 111.1 | W74 S75 A81 S82 A101 C107 Y112 | W74-H78 HydrophobicContact CB-CB 4.28Å; W74-H78 HydrophobicContact CD2-CB 4.02Å; W74-H78 HydrophobicContact CE3-CB 3.4Å; W74-H78 VanDerWaalsContact CE3-CB 3.4Å; W74-H78 HydrophobicContact CG-CB 4.41Å; W74-H78 HydrophobicContact CZ3-CB 4Å; S75-H78 PolarHBondContact N-ND1 3.12Å; S75-H78 WeakPolarHBondContact O-CB 3.08Å; S75-H78 PolarHBondContact O-N 2.95Å; S75-H78 PolarHBondContact OG-ND1 3.17Å; H78-A81 PolarHBondContact O-N 2.88Å; H78-S82 VanDerWaalsContact O-CB 3.29Å; H78-S82 WeakPolarHBondContact O-CB 3.32Å; H78-S82 PolarHBondContact O-N 3.14Å; H78-A101 PolarHBondContact CE1-O 3.44Å; H78-A101 PolarHBondContact NE2-O 2.94Å; H78-A101 VanDerWaalsContact NE2-O 3.14Å; H78-C107 PolarHBondContact NE2-O 3.01Å; H78-Y112 AromaticContact CD2-CE2 4Å |
| 79 | I | 98.6 | Very high | 98.4 | Very high | 12 Ų | 12 | 29.4 Ų | 29.4 | 6% | 0.062 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -50.8 | -178.9 | -63.2 | 177.1 | 0 | 0 | 0 | 109.7 | H45 C48 S49 W74 S75 P76 A81 S82 A83 | H45-I79 HydrophobicContact CB-CD1 3.79Å; C48-I79 HydrophobicContact CB-CB 4.42Å; C48-I79 HydrophobicContact CB-CG2 4.12Å; S49-I79 VanDerWaalsContact CA-CG2 3.47Å; W74-I79 HydrophobicContact CB-CG1 4.28Å; W74-I79 HydrophobicContact CE3-CG1 3.87Å; S75-I79 PolarHBondContact O-N 3.06Å; P76-I79 PolarHBondContact O-N 2.89Å; I79-A81 PolarHBondContact O-N 3.15Å; I79-S82 PolarHBondContact O-N 3.3Å; I79-A83 VanDerWaalsContact O-CB 3.23Å; I79-A83 WeakPolarHBondContact O-CB 3.39Å; I79-A83 PolarHBondContact O-N 3.24Å |
| 80 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C48 P76 A83 G84 R85 I88 V89 L92 | C48-A80 HydrophobicContact CB-CB 4.34Å; P76-A80 WeakPolarHBondContact O-CB 3.47Å; P76-A80 PolarHBondContact O-N 2.69Å; A80-A83 PolarHBondContact O-N 3.41Å; A80-G84 PolarHBondContact O-N 3.43Å; A80-R85 HydrophobicContact CB-CB 4.43Å; A80-R85 PolarHBondContact O-N 3.3Å; A80-I88 HydrophobicContact CB-CB 4.43Å; A80-I88 HydrophobicContact CB-CG2 3.65Å; A80-V89 HydrophobicContact CB-CG2 3.74Å; A80-L92 HydrophobicContact CB-CD1 3.98Å |
| 81 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.5 | -43.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L77 H78 I79 G84 P109 I121 L125 | L77-A81 WeakPolarHBondContact O-CB 3.32Å; L77-A81 PolarHBondContact O-N 3.19Å; H78-A81 PolarHBondContact O-N 2.88Å; I79-A81 PolarHBondContact O-N 3.15Å; A81-G84 PolarHBondContact O-N 2.88Å; A81-P109 HydrophobicContact CB-CB 3.92Å; A81-I121 HydrophobicContact CB-CG2 3.84Å; A81-L125 HydrophobicContact CB-CD1 4.4Å |
| 82 | S | 98.5 | Very high | 98.4 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 18% | 0.175 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.7 | -42.8 | 177 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | H78 I79 G84 | H78-S82 VanDerWaalsContact O-CB 3.29Å; H78-S82 WeakPolarHBondContact O-CB 3.32Å; H78-S82 PolarHBondContact O-N 3.14Å; I79-S82 PolarHBondContact O-N 3.3Å; S82-G84 VanDerWaalsContact C-N 3.28Å; S82-G84 PolarHBondContact O-N 3.45Å |
| 83 | A | 97.9 | Very high | 98.5 | Very high | 28 Ų | 28 | 27.5 Ų | 27.5 | 23% | 0.231 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73.8 | -16.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I79 A80 R85 R118 | I79-A83 VanDerWaalsContact O-CB 3.23Å; I79-A83 WeakPolarHBondContact O-CB 3.39Å; I79-A83 PolarHBondContact O-N 3.24Å; A80-A83 PolarHBondContact O-N 3.41Å; A83-R85 HydrophobicContact CB-CG 3.91Å; A83-R118 PolarHBondContact O-NH2 2.98Å |
| 84 | G | 98 | Very high | 98.4 | Very high | 20 Ų | 20 | 32.6 Ų | 32.6 | 21% | 0.206 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 42.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A80 A81 S82 | A80-G84 PolarHBondContact O-N 3.43Å; A81-G84 PolarHBondContact O-N 2.88Å; S82-G84 VanDerWaalsContact C-N 3.28Å; S82-G84 PolarHBondContact O-N 3.45Å |
| 85 | R | 98.3 | Very high | 98.4 | Very high | 90 Ų | 90 | 35.4 Ų | 35.4 | 34% | 0.34 | 19% | 0.186 | S | C | . | . | trans | -101.8 | 83.7 | -177.2 | -48.7 | -52 | -173.9 | -177.6 | 2 | 111.1 | C48 S49 A50 A80 A83 E87 I88 V89 | C48-R85 WeakPolarHBondContact O-CG 3.42Å; S49-R85 PolarHBondContact O-NE 3.11Å; S49-R85 PolarHBondContact O-NH2 3.01Å; A50-R85 PolarHBondContact O-NH2 3.15Å; A50-R85 VanDerWaalsContact O-NH2 3.13Å; A80-R85 HydrophobicContact CB-CB 4.43Å; A80-R85 PolarHBondContact O-N 3.3Å; A83-R85 HydrophobicContact CB-CG 3.91Å; R85-E87 PolarHBondContact O-N 3.39Å; R85-I88 HydrophobicContact CB-CB 3.79Å; R85-I88 HydrophobicContact CB-CD1 3.93Å; R85-I88 HydrophobicContact CB-CG1 4.18Å; R85-I88 HydrophobicContact CB-CG2 4.47Å; R85-I88 HydrophobicContact CG-CD1 4.25Å; R85-I88 PolarHBondContact O-N 2.98Å; R85-V89 WeakPolarHBondContact O-CG2 3.37Å; R85-V89 PolarHBondContact O-N 2.88Å | ||
| 86 | D | 98.1 | Very high | 98.3 | Very high | 61 Ų | 61 | 37.7 Ų | 37.7 | 33% | 0.326 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.5 | -52.4 | -170.5 | -57 | -14.9 | 0 | 0 | 0 | 112.9 | I88 V89 K90 I121 M124 | D86-I88 VanDerWaalsContact C-N 3.3Å; D86-I88 PolarHBondContact O-N 3.28Å; D86-V89 PolarHBondContact O-N 3.41Å; D86-K90 PolarHBondContact O-N 3.25Å; D86-I121 WeakPolarHBondContact OD1-CD1 3.49Å; D86-I121 WeakPolarHBondContact OD1-CG1 3.39Å; D86-M124 HydrophobicContact CB-CE 4.04Å; D86-M124 WeakPolarHBondContact O-CE 3.48Å |
| 87 | E | 98.4 | Very high | 98.3 | Very high | 109 Ų | 109 | 38.1 Ų | 38.1 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.1 | -34 | -179.5 | -62.7 | -56.1 | 154.3 | 0 | 0 | 112.8 | T53 R85 K90 A91 | T53-E87 HydrophobicContact CG2-CB 3.97Å; R85-E87 PolarHBondContact O-N 3.39Å; E87-K90 PolarHBondContact O-N 2.96Å; E87-A91 WeakPolarHBondContact O-CB 3.46Å; E87-A91 PolarHBondContact O-N 2.97Å |
| 88 | I | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.5 | -43.4 | 176.6 | -69.1 | 177.2 | 0 | 0 | 0 | 110.4 | C48 V56 A80 R85 D86 K90 A91 L92 | C48-I88 HydrophobicContact CB-CG2 4.22Å; V56-I88 HydrophobicContact CB-CG1 4.35Å; V56-I88 HydrophobicContact CG1-CG2 4.2Å; V56-I88 HydrophobicContact CG2-CD1 3.85Å; V56-I88 HydrophobicContact CG2-CG1 4.08Å; V56-I88 HydrophobicContact CG2-CG2 4.19Å; A80-I88 HydrophobicContact CB-CB 4.43Å; A80-I88 HydrophobicContact CB-CG2 3.65Å; R85-I88 HydrophobicContact CB-CB 3.79Å; R85-I88 HydrophobicContact CB-CD1 3.93Å; R85-I88 HydrophobicContact CB-CG1 4.18Å; R85-I88 HydrophobicContact CB-CG2 4.47Å; R85-I88 HydrophobicContact CG-CD1 4.25Å; R85-I88 PolarHBondContact O-N 2.98Å; D86-I88 VanDerWaalsContact C-N 3.3Å; D86-I88 PolarHBondContact O-N 3.28Å; I88-K90 VanDerWaalsContact C-N 3.3Å; I88-K90 PolarHBondContact O-N 3.4Å; I88-A91 PolarHBondContact O-N 3.39Å; I88-L92 HydrophobicContact CG2-CD1 3.9Å; I88-L92 HydrophobicContact CG2-CG 4.31Å; I88-L92 WeakPolarHBondContact O-CB 3.41Å; I88-L92 VanDerWaalsContact O-CG 3.25Å; I88-L92 WeakPolarHBondContact O-CG 3.47Å; I88-L92 PolarHBondContact O-N 3.2Å |
| 89 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.9 | -48.5 | 174 | 166.6 | 0 | 0 | 0 | 0 | 109.7 | L77 A80 R85 D86 A91 L92 L93 I121 M124 | L77-V89 HydrophobicContact CD1-CB 4.46Å; L77-V89 HydrophobicContact CD1-CG1 4.05Å; L77-V89 HydrophobicContact CD1-CG2 4.28Å; A80-V89 HydrophobicContact CB-CG2 3.74Å; R85-V89 WeakPolarHBondContact O-CG2 3.37Å; R85-V89 PolarHBondContact O-N 2.88Å; D86-V89 PolarHBondContact O-N 3.41Å; V89-A91 PolarHBondContact O-N 2.94Å; V89-L92 PolarHBondContact O-N 2.97Å; V89-L93 HydrophobicContact CG1-CD1 3.82Å; V89-L93 HydrophobicContact CG1-CG 4.27Å; V89-L93 VanDerWaalsContact O-CG 3.26Å; V89-L93 WeakPolarHBondContact O-CG 3.1Å; V89-L93 PolarHBondContact O-N 3.36Å; V89-I121 HydrophobicContact CG1-CG2 4.29Å; V89-I121 HydrophobicContact CG2-CD1 3.99Å; V89-I121 HydrophobicContact CG2-CG1 4.15Å; V89-I121 HydrophobicContact CG2-CG2 4.08Å; V89-M124 HydrophobicContact CB-CE 4.33Å; V89-M124 HydrophobicContact CG1-CB 4.42Å; V89-M124 HydrophobicContact CG1-CE 4.17Å |
| 90 | K | 98.4 | Very high | 98.3 | Very high | 113 Ų | 113 | 47.1 Ų | 47.1 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57 | -48.2 | 177.4 | -172.7 | 179.9 | 178.5 | -176.3 | 0 | 112.1 | D86 E87 I88 L92 L93 V94 M124 | D86-K90 PolarHBondContact O-N 3.25Å; E87-K90 PolarHBondContact O-N 2.96Å; I88-K90 VanDerWaalsContact C-N 3.3Å; I88-K90 PolarHBondContact O-N 3.4Å; K90-L92 PolarHBondContact O-N 3.24Å; K90-L93 PolarHBondContact O-N 3.01Å; K90-V94 WeakPolarHBondContact O-CG2 3.44Å; K90-V94 PolarHBondContact O-N 2.88Å; K90-M124 HydrophobicContact CB-SD 3.94Å; K90-M124 HydrophobicContact CG-SD 4.48Å |
| 91 | A | 98.3 | Very high | 98.3 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L60 E87 I88 V89 V94 K95 | L60-A91 HydrophobicContact CD1-CB 3.87Å; E87-A91 WeakPolarHBondContact O-CB 3.46Å; E87-A91 PolarHBondContact O-N 2.97Å; I88-A91 PolarHBondContact O-N 3.39Å; V89-A91 PolarHBondContact O-N 2.94Å; A91-V94 PolarHBondContact O-N 2.98Å; A91-K95 WeakPolarHBondContact O-CG 3.37Å; A91-K95 PolarHBondContact O-N 3.26Å |
| 92 | L | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.8 | -71.8 | 172.2 | 0 | 0 | 0 | 111.9 | L44 L60 V66 P76 L77 A80 I88 V89 K90 K95 G96 A97 | L44-L92 HydrophobicContact CD2-CD2 4.47Å; L60-L92 HydrophobicContact CD1-CD2 4.34Å; L60-L92 HydrophobicContact CD2-CD2 4.11Å; V66-L92 HydrophobicContact CB-CD2 4.45Å; P76-L92 HydrophobicContact CB-CD1 4.08Å; P76-L92 HydrophobicContact CB-CD2 4.09Å; L77-L92 HydrophobicContact CB-CD1 4.41Å; L77-L92 HydrophobicContact CD1-CB 4.3Å; L77-L92 HydrophobicContact CD1-CD1 4.3Å; A80-L92 HydrophobicContact CB-CD1 3.98Å; I88-L92 HydrophobicContact CG2-CD1 3.9Å; I88-L92 HydrophobicContact CG2-CG 4.31Å; I88-L92 WeakPolarHBondContact O-CB 3.41Å; I88-L92 VanDerWaalsContact O-CG 3.25Å; I88-L92 WeakPolarHBondContact O-CG 3.47Å; I88-L92 PolarHBondContact O-N 3.2Å; V89-L92 PolarHBondContact O-N 2.97Å; K90-L92 PolarHBondContact O-N 3.24Å; L92-K95 CarbonylContact O-C 3.59Å; L92-K95 PolarHBondContact O-N 3.17Å; L92-K95 VanDerWaalsContact O-N 3.13Å; L92-G96 PolarHBondContact O-N 3.06Å; L92-A97 HydrophobicContact CB-CB 3.91Å; L92-A97 WeakPolarHBondContact O-CB 3.41Å; L92-A97 PolarHBondContact O-N 3.27Å |
| 93 | L | 98.3 | Very high | 98.3 | Very high | 39 Ų | 39 | 49.6 Ų | 49.6 | 20% | 0.204 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 178 | -68.4 | 175.6 | 0 | 0 | 0 | 111.8 | L77 V89 K90 K95 G96 V99 M124 L125 | L77-L93 HydrophobicContact CD1-CD2 4.3Å; L77-L93 HydrophobicContact CD1-CG 4.46Å; L77-L93 HydrophobicContact CD2-CD2 4Å; V89-L93 HydrophobicContact CG1-CD1 3.82Å; V89-L93 HydrophobicContact CG1-CG 4.27Å; V89-L93 VanDerWaalsContact O-CG 3.26Å; V89-L93 WeakPolarHBondContact O-CG 3.1Å; V89-L93 PolarHBondContact O-N 3.36Å; K90-L93 PolarHBondContact O-N 3.01Å; L93-K95 PolarHBondContact O-N 3.44Å; L93-G96 PolarHBondContact O-N 3.49Å; L93-V99 HydrophobicContact CD2-CG1 3.34Å; L93-M124 HydrophobicContact CD1-CB 4.05Å; L93-L125 HydrophobicContact CD2-CD2 4.37Å |
| 94 | V | 97.6 | Very high | 98.3 | Very high | 118 Ų | 118 | 53.9 Ų | 53.9 | 72% | 0.715 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.3 | -31.3 | 174.8 | 169.8 | 0 | 0 | 0 | 0 | 111.9 | K90 A91 G96 | K90-V94 WeakPolarHBondContact O-CG2 3.44Å; K90-V94 PolarHBondContact O-N 2.88Å; A91-V94 PolarHBondContact O-N 2.98Å; V94-G96 VanDerWaalsContact C-N 3.3Å; V94-G96 PolarHBondContact O-N 3.41Å |
| 95 | K | 97.8 | Very high | 98.3 | Very high | 108 Ų | 108 | 56.7 Ų | 56.7 | 47% | 0.47 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 10.7 | 177.5 | -66.7 | -69 | -175.5 | 173 | 0 | 114.2 | L60 V66 A91 L92 L93 | L60-K95 HydrophobicContact CB-CG 4.13Å; L60-K95 HydrophobicContact CD1-CG 4.04Å; L60-K95 HydrophobicContact CD2-CB 4.31Å; L60-K95 HydrophobicContact CD2-CG 4.2Å; L60-K95 HydrophobicContact CG-CG 4.35Å; V66-K95 HydrophobicContact CG1-CB 4.1Å; A91-K95 WeakPolarHBondContact O-CG 3.37Å; A91-K95 PolarHBondContact O-N 3.26Å; L92-K95 CarbonylContact O-C 3.59Å; L92-K95 PolarHBondContact O-N 3.17Å; L92-K95 VanDerWaalsContact O-N 3.13Å; L93-K95 PolarHBondContact O-N 3.44Å |
| 96 | G | 96.9 | Very high | 98.3 | Very high | 48 Ų | 48 | 52.5 Ų | 52.5 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 30.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | N67 L92 L93 V94 | N67-G96 PolarHBondContact ND2-O 3.44Å; L92-G96 PolarHBondContact O-N 3.06Å; L93-G96 PolarHBondContact O-N 3.49Å; V94-G96 VanDerWaalsContact C-N 3.3Å; V94-G96 PolarHBondContact O-N 3.41Å |
| 97 | A | 98.3 | Very high | 98.3 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | trans | -61 | 136.4 | 169 | 0 | 0 | 0 | 0 | 0 | 111.1 | V66 N67 L77 L92 V99 | V66-A97 HydrophobicContact CG2-CB 4.36Å; N67-A97 WeakPolarHBondContact OD1-CA 3.41Å; L77-A97 HydrophobicContact CB-CB 4.34Å; L77-A97 HydrophobicContact CD2-CB 4.06Å; L92-A97 HydrophobicContact CB-CB 3.91Å; L92-A97 WeakPolarHBondContact O-CB 3.41Å; L92-A97 PolarHBondContact O-N 3.27Å; A97-V99 PolarHBondContact O-N 3.42Å; A97-V99 VanDerWaalsContact O-N 3.15Å | ||
| 98 | Q | 98.6 | Very high | 98.3 | Very high | 108 Ų | 108 | 44.7 Ų | 44.7 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | trans | -73.7 | 104.7 | -178.7 | -71 | 175.9 | 7.2 | 0 | 0 | 110.7 | N67 N100 A101 | N67-Q98 PolarHBondContact OD1-N 2.94Å; Q98-N100 PolarHBondContact O-N 3.33Å; Q98-A101 HydrophobicContact CB-CB 3.99Å; Q98-A101 WeakPolarHBondContact O-CB 3.41Å; Q98-A101 PolarHBondContact O-N 3.33Å; Q98-A101 VanDerWaalsContact O-N 3.16Å | ||
| 99 | V | 98.5 | Very high | 98.4 | Very high | 21 Ų | 21 | 44.6 Ų | 44.6 | 13% | 0.127 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.3 | 179.8 | -70.1 | 0 | 0 | 0 | 0 | 114.3 | L93 A97 P109 L125 A130 | L93-V99 HydrophobicContact CD2-CG1 3.34Å; A97-V99 PolarHBondContact O-N 3.42Å; A97-V99 VanDerWaalsContact O-N 3.15Å; V99-P109 WeakPolarHBondContact O-CD 3.35Å; V99-L125 HydrophobicContact CG1-CD2 4.47Å; V99-A130 HydrophobicContact CB-CB 4.34Å |
| 100 | N | 98.6 | Very high | 98.4 | Very high | 73 Ų | 73 | 44.7 Ų | 44.7 | 39% | 0.39 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 16.6 | -178.3 | -66.2 | -49.5 | 0 | 0 | 0 | 112.6 | Q98 G129 A130 N131 | Q98-N100 PolarHBondContact O-N 3.33Å; N100-G129 PolarHBondContact ND2-O 2.91Å; N100-G129 VanDerWaalsContact ND2-O 3.13Å; N100-A130 WeakPolarHBondContact OD1-CA 3.21Å; N100-N131 PolarHBondContact OD1-N 3.44Å |
| 101 | A | 98.5 | Very high | 98.4 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | trans | -58.7 | 141.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | H78 Q98 T108 P109 | H78-A101 PolarHBondContact CE1-O 3.44Å; H78-A101 PolarHBondContact NE2-O 2.94Å; H78-A101 VanDerWaalsContact NE2-O 3.14Å; Q98-A101 HydrophobicContact CB-CB 3.99Å; Q98-A101 WeakPolarHBondContact O-CB 3.41Å; Q98-A101 PolarHBondContact O-N 3.33Å; Q98-A101 VanDerWaalsContact O-N 3.16Å; A101-T108 WeakPolarHBondContact O-CA 3.36Å; A101-P109 WeakPolarHBondContact O-CD 3.42Å | ||
| 102 | V | 98.6 | Very high | 98.4 | Very high | 63 Ų | 63 | 40 Ų | 40 | 38% | 0.382 | 22% | 0.22 | S | C | . | . | trans | -113.4 | 143.1 | 177.4 | -64.7 | 0 | 0 | 0 | 0 | 111 | K69 G106 C107 T108 | K69-V102 WeakPolarHBondContact CE-O 3.48Å; K69-V102 PolarHBondContact NZ-O 2.98Å; V102-G106 WeakPolarHBondContact CG1-O 3.38Å; V102-C107 WeakPolarHBondContact CA-O 3.41Å; V102-T108 HydrophobicContact CG1-CG2 3.94Å | ||
| 103 | N | 98.6 | Very high | 98.4 | Very high | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.043 | 22% | 0.22 | C | C | . | . | trans | -89.2 | -172.9 | 169.7 | 71.1 | 6.6 | 0 | 0 | 0 | 112.1 | G73 W74 N105 G106 C107 Y112 | G73-N103 VanDerWaalsContact O-CA 3.28Å; G73-N103 WeakPolarHBondContact O-CA 3.28Å; G73-N103 WeakPolarHBondContact O-CB 3.45Å; W74-N103 HydrophobicContact CG-CB 4.48Å; W74-N103 PolarHBondContact NE1-ND2 3.23Å; N103-N105 PolarHBondContact O-N 3.24Å; N103-N105 VanDerWaalsContact O-N 3.11Å; N103-N105 PolarHBondContact OD1-N 3.03Å; N103-N105 VanDerWaalsContact OD1-N 3.07Å; N103-G106 PolarHBondContact O-N 3.15Å; N103-C107 PolarHBondContact N-O 3.31Å; N103-C107 VanDerWaalsContact N-O 3.08Å; N103-C107 WeakPolarHBondContact OD1-CB 3.29Å; N103-C107 PolarHBondContact OD1-N 2.86Å; N103-C107 PolarHBondContact OD1-O 3.5Å; N103-Y112 WeakPolarHBondContact ND2-CE2 3.4Å; N103-Y112 PolarHBondContact ND2-OH 2.67Å | ||
| 104 | Q | 98.4 | Very high | 98.4 | Very high | 119 Ų | 119 | 38.1 Ų | 38.1 | 56% | 0.556 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20.8 | -178.7 | -78.7 | 178.9 | -9 | 0 | 0 | 114.9 | D71 A72 G106 H137 | D71-Q104 PolarHBondContact O-NE2 3.24Å; A72-Q104 WeakPolarHBondContact O-CB 3.32Å; A72-Q104 WeakPolarHBondContact O-CG 3.44Å; A72-Q104 PolarHBondContact O-N 3.21Å; A72-Q104 VanDerWaalsContact O-N 3.13Å; Q104-G106 VanDerWaalsContact C-N 3.32Å; Q104-H137 PolarHBondContact O-CE1 2.72Å; Q104-H137 PolarHBondContact O-ND1 2.82Å |
| 105 | N | 97.9 | Very high | 98.4 | Very high | 78 Ų | 78 | 33.6 Ų | 33.6 | 42% | 0.417 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 5.4 | 176.6 | -63.5 | -13.2 | 0 | 0 | 0 | 112.2 | N103 C107 D136 H137 | N103-N105 PolarHBondContact O-N 3.24Å; N103-N105 VanDerWaalsContact O-N 3.11Å; N103-N105 PolarHBondContact OD1-N 3.03Å; N103-N105 VanDerWaalsContact OD1-N 3.07Å; N105-C107 PolarHBondContact O-N 3.27Å; N105-D136 WeakPolarHBondContact O-CB 3.42Å; N105-H137 WeakPolarHBondContact O-CB 3.45Å; N105-H137 PolarHBondContact O-N 3.08Å |
| 106 | G | 98.4 | Very high | 98.4 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 73.8 | 2.1 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | V102 N103 Q104 D136 H137 | V102-G106 WeakPolarHBondContact CG1-O 3.38Å; N103-G106 PolarHBondContact O-N 3.15Å; Q104-G106 VanDerWaalsContact C-N 3.32Å; G106-D136 WeakPolarHBondContact O-CA 3.41Å; G106-H137 PolarHBondContact N-CE1 3.5Å |
| 107 | C | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | trans | -74.8 | 134.2 | -177.5 | -68.3 | 0 | 0 | 0 | 0 | 110.4 | H78 V102 N103 N105 H111 Y112 R145 | H78-C107 PolarHBondContact NE2-O 3.01Å; V102-C107 WeakPolarHBondContact CA-O 3.41Å; N103-C107 PolarHBondContact N-O 3.31Å; N103-C107 VanDerWaalsContact N-O 3.08Å; N103-C107 WeakPolarHBondContact OD1-CB 3.29Å; N103-C107 PolarHBondContact OD1-N 2.86Å; N103-C107 PolarHBondContact OD1-O 3.5Å; N105-C107 PolarHBondContact O-N 3.27Å; C107-H111 HydrophobicContact CB-CB 4.16Å; C107-Y112 HydrophobicContact CB-CD2 4.4Å; C107-Y112 HydrophobicContact CB-CE2 3.54Å; C107-R145 PolarHBondContact SG-NH2 3.26Å | ||
| 108 | T | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | trans | -87.1 | 166.4 | 167.9 | 68.7 | 0 | 0 | 0 | 0 | 111.7 | A101 V102 L110 H111 Y112 A134 | A101-T108 WeakPolarHBondContact O-CA 3.36Å; V102-T108 HydrophobicContact CG1-CG2 3.94Å; T108-L110 PolarHBondContact O-N 3.16Å; T108-L110 VanDerWaalsContact O-N 3.16Å; T108-L110 PolarHBondContact OG1-N 3Å; T108-H111 PolarHBondContact N-ND1 3.09Å; T108-H111 WeakPolarHBondContact O-CB 3.45Å; T108-H111 PolarHBondContact O-N 3.14Å; T108-H111 PolarHBondContact OG1-ND1 3.31Å; T108-Y112 WeakPolarHBondContact O-CD2 3.47Å; T108-A134 HydrophobicContact CG2-CB 3.87Å | ||
| 109 | P | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -53.7 | -33.5 | 172.4 | -27.8 | 35.9 | 0 | 0 | 0 | 113.8 | L77 A81 V99 A101 H111 Y112 A113 L125 | L77-P109 HydrophobicContact CB-CG 4.29Å; L77-P109 HydrophobicContact CD2-CB 4.46Å; L77-P109 HydrophobicContact CD2-CG 3.98Å; L77-P109 HydrophobicContact CG-CB 4.1Å; L77-P109 HydrophobicContact CG-CG 3.85Å; A81-P109 HydrophobicContact CB-CB 3.92Å; V99-P109 WeakPolarHBondContact O-CD 3.35Å; A101-P109 WeakPolarHBondContact O-CD 3.42Å; P109-H111 VanDerWaalsContact C-N 3.32Å; P109-H111 PolarHBondContact O-N 2.81Å; P109-Y112 PolarHBondContact O-N 3.15Å; P109-A113 PolarHBondContact O-N 3Å; P109-L125 HydrophobicContact CB-CD1 3.92Å; P109-L125 HydrophobicContact CB-CD2 4.14Å |
| 110 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -34.1 | 178.9 | -175.3 | 63.3 | 0 | 0 | 0 | 112.5 | T108 Y112 A113 A114 A122 L125 L126 A130 A142 L158 | T108-L110 PolarHBondContact O-N 3.16Å; T108-L110 VanDerWaalsContact O-N 3.16Å; T108-L110 PolarHBondContact OG1-N 3Å; L110-Y112 VanDerWaalsContact C-N 3.3Å; L110-Y112 PolarHBondContact O-N 2.96Å; L110-A113 PolarHBondContact O-N 3.48Å; L110-A114 WeakPolarHBondContact O-CB 3.48Å; L110-A114 PolarHBondContact O-N 2.85Å; L110-A122 HydrophobicContact CD1-CB 3.99Å; L110-L125 HydrophobicContact CB-CD1 4.33Å; L110-L125 HydrophobicContact CD1-CB 4.49Å; L110-L125 HydrophobicContact CD1-CD1 4.46Å; L110-L126 HydrophobicContact CD1-CD1 4.32Å; L110-L126 HydrophobicContact CD1-CD2 4.47Å; L110-L126 HydrophobicContact CD1-CG 4.15Å; L110-L126 HydrophobicContact CD2-CD2 3.74Å; L110-L126 HydrophobicContact CD2-CG 4.31Å; L110-A130 HydrophobicContact CD2-CB 4.35Å; L110-A142 HydrophobicContact CD2-CB 4.18Å; L110-A142 HydrophobicContact CG-CB 3.9Å; L110-L158 HydrophobicContact CD1-CD2 4.41Å; L110-L158 HydrophobicContact CD2-CD2 4.25Å |
| 111 | H | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 174.9 | -71.1 | 84.1 | 0 | 0 | 0 | 111.5 | C107 T108 P109 S115 A134 A140 R145 | C107-H111 HydrophobicContact CB-CB 4.16Å; T108-H111 PolarHBondContact N-ND1 3.09Å; T108-H111 WeakPolarHBondContact O-CB 3.45Å; T108-H111 PolarHBondContact O-N 3.14Å; T108-H111 PolarHBondContact OG1-ND1 3.31Å; P109-H111 VanDerWaalsContact C-N 3.32Å; P109-H111 PolarHBondContact O-N 2.81Å; H111-S115 VanDerWaalsContact O-CB 3.28Å; H111-S115 WeakPolarHBondContact O-CB 3.48Å; H111-S115 PolarHBondContact O-N 3.17Å; H111-A134 PolarHBondContact CE1-O 3.36Å; H111-A134 PolarHBondContact NE2-O 3.37Å; H111-A140 PolarHBondContact NE2-O 3.41Å; H111-A140 VanDerWaalsContact NE2-O 3.12Å; H111-R145 WeakPolarHBondContact O-CD 3.49Å |
| 112 | Y | 98.7 | Very high | 98.5 | Very high | 32 Ų | 32 | 34.5 Ų | 34.5 | 13% | 0.125 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.6 | -42.8 | 178.5 | -68 | -74.1 | 0 | 0 | 0 | 111.8 | W74 H78 N103 C107 T108 P109 L110 A114 S115 K116 | W74-Y112 AromaticContact CH2-CD1 3.68Å; W74-Y112 HydrophobicContact CH2-CD1 3.68Å; W74-Y112 HydrophobicContact CH2-CD2 4.2Å; W74-Y112 AromaticContact CH2-CE1 3.3Å; W74-Y112 HydrophobicContact CH2-CE1 3.3Å; W74-Y112 AromaticContact CH2-CE2 3.85Å; W74-Y112 HydrophobicContact CH2-CE2 3.85Å; W74-Y112 HydrophobicContact CH2-CG 4.12Å; W74-Y112 AromaticContact CH2-CZ 3.4Å; W74-Y112 VanDerWaalsContact CH2-CZ 3.4Å; W74-Y112 HydrophobicContact CZ2-CD1 4.37Å; W74-Y112 AromaticContact CZ2-CE1 3.54Å; W74-Y112 HydrophobicContact CZ2-CE1 3.54Å; W74-Y112 AromaticContact CZ2-CE2 3.98Å; W74-Y112 HydrophobicContact CZ2-CE2 3.98Å; W74-Y112 AromaticContact CZ2-CZ 3.31Å; W74-Y112 VanDerWaalsContact CZ2-OH 3.25Å; W74-Y112 WeakPolarHBondContact CZ2-OH 3.36Å; W74-Y112 HydrophobicContact CZ3-CD1 4.44Å; W74-Y112 HydrophobicContact CZ3-CD2 4.43Å; W74-Y112 HydrophobicContact CZ3-CE1 4.36Å; W74-Y112 HydrophobicContact CZ3-CE2 4.34Å; W74-Y112 HydrophobicContact CZ3-CG 4.49Å; H78-Y112 AromaticContact CD2-CE2 4Å; N103-Y112 WeakPolarHBondContact ND2-CE2 3.4Å; N103-Y112 PolarHBondContact ND2-OH 2.67Å; C107-Y112 HydrophobicContact CB-CD2 4.4Å; C107-Y112 HydrophobicContact CB-CE2 3.54Å; T108-Y112 WeakPolarHBondContact O-CD2 3.47Å; P109-Y112 PolarHBondContact O-N 3.15Å; L110-Y112 VanDerWaalsContact C-N 3.3Å; L110-Y112 PolarHBondContact O-N 2.96Å; Y112-A114 VanDerWaalsContact C-N 3.34Å; Y112-A114 PolarHBondContact O-N 3.13Å; Y112-S115 PolarHBondContact O-N 2.94Å; Y112-K116 VanDerWaalsContact O-CB 3.28Å; Y112-K116 WeakPolarHBondContact O-CB 3.33Å; Y112-K116 WeakPolarHBondContact O-CG 3.19Å; Y112-K116 PolarHBondContact O-N 3.06Å |
| 113 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.8 | -46.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | P109 L110 K116 N117 R118 I121 A122 L125 | P109-A113 PolarHBondContact O-N 3Å; L110-A113 PolarHBondContact O-N 3.48Å; A113-K116 PolarHBondContact O-N 3.35Å; A113-N117 PolarHBondContact O-N 3.23Å; A113-N117 VanDerWaalsContact O-N 3.08Å; A113-R118 HydrophobicContact CB-CB 4.23Å; A113-R118 PolarHBondContact O-N 3.19Å; A113-I121 HydrophobicContact CB-CB 4.44Å; A113-I121 HydrophobicContact CB-CG2 3.86Å; A113-A122 HydrophobicContact CB-CB 4.25Å; A113-L125 HydrophobicContact CB-CD1 4.13Å |
| 114 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.8 | -45.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L110 Y112 K116 N117 A142 N151 M154 | L110-A114 WeakPolarHBondContact O-CB 3.48Å; L110-A114 PolarHBondContact O-N 2.85Å; Y112-A114 VanDerWaalsContact C-N 3.34Å; Y112-A114 PolarHBondContact O-N 3.13Å; A114-K116 VanDerWaalsContact C-N 3.33Å; A114-K116 PolarHBondContact O-N 3.48Å; A114-N117 PolarHBondContact O-N 3.04Å; A114-A142 HydrophobicContact CB-CB 3.82Å; A114-N151 PolarHBondContact O-ND2 3.33Å; A114-M154 HydrophobicContact CB-CG 3.91Å; A114-M154 HydrophobicContact CB-SD 4.1Å |
| 115 | S | 97.9 | Very high | 98.6 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 15% | 0.154 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.7 | -28 | 179.5 | 179.8 | 0 | 0 | 0 | 0 | 113.9 | H111 Y112 K149 | H111-S115 VanDerWaalsContact O-CB 3.28Å; H111-S115 WeakPolarHBondContact O-CB 3.48Å; H111-S115 PolarHBondContact O-N 3.17Å; Y112-S115 PolarHBondContact O-N 2.94Å; S115-K149 WeakPolarHBondContact O-CD 3.5Å; S115-K149 WeakPolarHBondContact O-CE 3.2Å; S115-K149 WeakPolarHBondContact OG-CE 3.4Å |
| 116 | K | 98.1 | Very high | 98.6 | Very high | 114 Ų | 114 | 25.9 Ų | 25.9 | 50% | 0.496 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 7.8 | -179.7 | -64.8 | -69.5 | -171.8 | 176.1 | 0 | 112.6 | Y112 A113 A114 R118 | Y112-K116 VanDerWaalsContact O-CB 3.28Å; Y112-K116 WeakPolarHBondContact O-CB 3.33Å; Y112-K116 WeakPolarHBondContact O-CG 3.19Å; Y112-K116 PolarHBondContact O-N 3.06Å; A113-K116 PolarHBondContact O-N 3.35Å; A114-K116 VanDerWaalsContact C-N 3.33Å; A114-K116 PolarHBondContact O-N 3.48Å; K116-R118 HydrophobicContact CB-CG 3.96Å; K116-R118 PolarHBondContact O-N 3.41Å |
| 117 | N | 97.8 | Very high | 98.6 | Very high | 59 Ų | 59 | 32.1 Ų | 32.1 | 32% | 0.316 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 42.5 | 178.4 | -152.4 | 34.7 | 0 | 0 | 0 | 113.7 | A113 A114 H119 N151 | A113-N117 PolarHBondContact O-N 3.23Å; A113-N117 VanDerWaalsContact O-N 3.08Å; A114-N117 PolarHBondContact O-N 3.04Å; N117-H119 PolarHBondContact ND2-CE1 3.37Å; N117-H119 PolarHBondContact O-CE1 2.99Å; N117-H119 PolarHBondContact O-N 3.07Å; N117-H119 PolarHBondContact O-ND1 3.16Å; N117-H119 PolarHBondContact OD1-CE1 3.22Å; N117-H119 PolarHBondContact OD1-NE2 3.41Å; N117-N151 WeakPolarHBondContact OD1-CB 3.43Å |
| 118 | R | 98.4 | Very high | 98.5 | Very high | 88 Ų | 88 | 34 Ų | 34 | 33% | 0.332 | 17% | 0.171 | S | C | . | . | trans | -93 | 84.6 | 179.4 | -49.7 | -55.3 | -170.2 | -177.3 | 3.4 | 110.1 | A83 A113 K116 I121 A122 | A83-R118 PolarHBondContact O-NH2 2.98Å; A113-R118 HydrophobicContact CB-CB 4.23Å; A113-R118 PolarHBondContact O-N 3.19Å; K116-R118 HydrophobicContact CB-CG 3.96Å; K116-R118 PolarHBondContact O-N 3.41Å; R118-I121 HydrophobicContact CB-CB 3.91Å; R118-I121 HydrophobicContact CB-CD1 4.06Å; R118-I121 HydrophobicContact CB-CG1 4.26Å; R118-I121 HydrophobicContact CG-CD1 4.37Å; R118-A122 WeakPolarHBondContact O-CB 3.38Å; R118-A122 PolarHBondContact O-N 3.28Å | ||
| 119 | H | 98.6 | Very high | 98.5 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.5 | -50.2 | -171.8 | -50.6 | 96.9 | 0 | 0 | 0 | 112.4 | N117 I121 A122 V123 I157 | N117-H119 PolarHBondContact ND2-CE1 3.37Å; N117-H119 PolarHBondContact O-CE1 2.99Å; N117-H119 PolarHBondContact O-N 3.07Å; N117-H119 PolarHBondContact O-ND1 3.16Å; N117-H119 PolarHBondContact OD1-CE1 3.22Å; N117-H119 PolarHBondContact OD1-NE2 3.41Å; H119-I121 VanDerWaalsContact C-N 3.33Å; H119-I121 PolarHBondContact O-N 2.89Å; H119-A122 PolarHBondContact O-N 2.92Å; H119-V123 WeakPolarHBondContact O-CG2 3.4Å; H119-V123 PolarHBondContact O-N 3.44Å; H119-I157 HydrophobicContact CB-CD1 3.7Å |
| 120 | E | 98.6 | Very high | 98.5 | Very high | 101 Ų | 101 | 36.5 Ų | 36.5 | 47% | 0.472 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62 | -43.7 | -176.9 | -67 | 69 | -153.2 | 0 | 0 | 110.3 | V123 M124 | E120-V123 PolarHBondContact O-N 3.42Å; E120-M124 WeakPolarHBondContact O-CG 3.35Å; E120-M124 PolarHBondContact O-N 2.99Å |
| 121 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 174.4 | -64.6 | 179.4 | 0 | 0 | 0 | 111.8 | A81 D86 V89 A113 R118 H119 V123 M124 L125 | A81-I121 HydrophobicContact CB-CG2 3.84Å; D86-I121 WeakPolarHBondContact OD1-CD1 3.49Å; D86-I121 WeakPolarHBondContact OD1-CG1 3.39Å; V89-I121 HydrophobicContact CG1-CG2 4.29Å; V89-I121 HydrophobicContact CG2-CD1 3.99Å; V89-I121 HydrophobicContact CG2-CG1 4.15Å; V89-I121 HydrophobicContact CG2-CG2 4.08Å; A113-I121 HydrophobicContact CB-CB 4.44Å; A113-I121 HydrophobicContact CB-CG2 3.86Å; R118-I121 HydrophobicContact CB-CB 3.91Å; R118-I121 HydrophobicContact CB-CD1 4.06Å; R118-I121 HydrophobicContact CB-CG1 4.26Å; R118-I121 HydrophobicContact CG-CD1 4.37Å; H119-I121 VanDerWaalsContact C-N 3.33Å; H119-I121 PolarHBondContact O-N 2.89Å; I121-V123 VanDerWaalsContact C-N 3.28Å; I121-V123 PolarHBondContact O-N 3.42Å; I121-M124 HydrophobicContact CG1-CE 4.09Å; I121-M124 PolarHBondContact O-N 3.36Å; I121-L125 HydrophobicContact CG2-CD1 3.76Å; I121-L125 HydrophobicContact CG2-CG 4.15Å; I121-L125 WeakPolarHBondContact O-CB 3.4Å; I121-L125 VanDerWaalsContact O-CG 3.23Å; I121-L125 WeakPolarHBondContact O-CG 3.23Å; I121-L125 PolarHBondContact O-N 3.42Å |
| 122 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.8 | -42.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L110 A113 R118 H119 L125 L126 M154 I157 | L110-A122 HydrophobicContact CD1-CB 3.99Å; A113-A122 HydrophobicContact CB-CB 4.25Å; R118-A122 WeakPolarHBondContact O-CB 3.38Å; R118-A122 PolarHBondContact O-N 3.28Å; H119-A122 PolarHBondContact O-N 2.92Å; A122-L125 PolarHBondContact O-N 3.37Å; A122-L126 WeakPolarHBondContact O-CB 3.28Å; A122-L126 WeakPolarHBondContact O-CD1 3.38Å; A122-L126 WeakPolarHBondContact O-CG 3.37Å; A122-L126 PolarHBondContact O-N 3.45Å; A122-M154 HydrophobicContact CB-CE 3.66Å; A122-M154 HydrophobicContact CB-SD 3.61Å; A122-I157 HydrophobicContact CB-CG2 4.49Å |
| 123 | V | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 41.8 Ų | 41.8 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.8 | -51.4 | 174.3 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | H119 E120 I121 L125 L126 E127 I157 | H119-V123 WeakPolarHBondContact O-CG2 3.4Å; H119-V123 PolarHBondContact O-N 3.44Å; E120-V123 PolarHBondContact O-N 3.42Å; I121-V123 VanDerWaalsContact C-N 3.28Å; I121-V123 PolarHBondContact O-N 3.42Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 2.9Å; V123-L126 PolarHBondContact O-N 3.45Å; V123-L126 VanDerWaalsContact O-N 3.15Å; V123-E127 HydrophobicContact CG1-CG 4.18Å; V123-E127 WeakPolarHBondContact CG1-OE1 3.35Å; V123-E127 WeakPolarHBondContact O-CB 3.32Å; V123-E127 WeakPolarHBondContact O-CG 3.47Å; V123-E127 PolarHBondContact O-N 2.86Å; V123-I157 HydrophobicContact CG2-CD1 4.17Å; V123-I157 HydrophobicContact CG2-CG1 4.33Å; V123-I157 HydrophobicContact CG2-CG2 3.87Å |
| 124 | M | 98.7 | Very high | 98.5 | Very high | 39 Ų | 39 | 42.4 Ų | 42.4 | 19% | 0.192 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.5 | -40.1 | 178.6 | -74.3 | -172.6 | -76.1 | 0 | 0 | 112.9 | D86 V89 K90 L93 E120 I121 G128 | D86-M124 HydrophobicContact CB-CE 4.04Å; D86-M124 WeakPolarHBondContact O-CE 3.48Å; V89-M124 HydrophobicContact CB-CE 4.33Å; V89-M124 HydrophobicContact CG1-CB 4.42Å; V89-M124 HydrophobicContact CG1-CE 4.17Å; K90-M124 HydrophobicContact CB-SD 3.94Å; K90-M124 HydrophobicContact CG-SD 4.48Å; L93-M124 HydrophobicContact CD1-CB 4.05Å; E120-M124 WeakPolarHBondContact O-CG 3.35Å; E120-M124 PolarHBondContact O-N 2.99Å; I121-M124 HydrophobicContact CG1-CE 4.09Å; I121-M124 PolarHBondContact O-N 3.36Å; M124-G128 PolarHBondContact O-N 2.89Å |
| 125 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 177.4 | -70 | 172.4 | 0 | 0 | 0 | 111.5 | L77 A81 L93 V99 P109 L110 A113 I121 A122 V123 G128 G129 A130 | L77-L125 HydrophobicContact CD1-CD2 4.16Å; L77-L125 HydrophobicContact CD2-CD2 3.98Å; L77-L125 HydrophobicContact CG-CD2 4.23Å; A81-L125 HydrophobicContact CB-CD1 4.4Å; L93-L125 HydrophobicContact CD2-CD2 4.37Å; V99-L125 HydrophobicContact CG1-CD2 4.47Å; P109-L125 HydrophobicContact CB-CD1 3.92Å; P109-L125 HydrophobicContact CB-CD2 4.14Å; L110-L125 HydrophobicContact CB-CD1 4.33Å; L110-L125 HydrophobicContact CD1-CB 4.49Å; L110-L125 HydrophobicContact CD1-CD1 4.46Å; A113-L125 HydrophobicContact CB-CD1 4.13Å; I121-L125 HydrophobicContact CG2-CD1 3.76Å; I121-L125 HydrophobicContact CG2-CG 4.15Å; I121-L125 WeakPolarHBondContact O-CB 3.4Å; I121-L125 VanDerWaalsContact O-CG 3.23Å; I121-L125 WeakPolarHBondContact O-CG 3.23Å; I121-L125 PolarHBondContact O-N 3.42Å; A122-L125 PolarHBondContact O-N 3.37Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 2.9Å; L125-G128 CarbonylContact O-C 3.5Å; L125-G128 WeakPolarHBondContact O-CA 3.17Å; L125-G128 PolarHBondContact O-N 3.32Å; L125-G129 PolarHBondContact O-N 3.45Å; L125-A130 HydrophobicContact CB-CB 4.07Å; L125-A130 WeakPolarHBondContact O-CB 3.26Å; L125-A130 PolarHBondContact O-N 2.76Å |
| 126 | L | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.5 | -42 | -179.9 | -70.7 | 162.4 | 0 | 0 | 0 | 111.8 | L110 A122 V123 G128 G129 P132 I157 L158 Y161 | L110-L126 HydrophobicContact CD1-CD1 4.32Å; L110-L126 HydrophobicContact CD1-CD2 4.47Å; L110-L126 HydrophobicContact CD1-CG 4.15Å; L110-L126 HydrophobicContact CD2-CD2 3.74Å; L110-L126 HydrophobicContact CD2-CG 4.31Å; A122-L126 WeakPolarHBondContact O-CB 3.28Å; A122-L126 WeakPolarHBondContact O-CD1 3.38Å; A122-L126 WeakPolarHBondContact O-CG 3.37Å; A122-L126 PolarHBondContact O-N 3.45Å; V123-L126 PolarHBondContact O-N 3.45Å; V123-L126 VanDerWaalsContact O-N 3.15Å; L126-G128 PolarHBondContact O-N 3.5Å; L126-G129 PolarHBondContact O-N 2.98Å; L126-P132 HydrophobicContact CD2-CB 3.94Å; L126-I157 HydrophobicContact CD1-CG2 3.83Å; L126-L158 HydrophobicContact CD1-CD2 4.25Å; L126-Y161 HydrophobicContact CB-CD1 3.79Å; L126-Y161 HydrophobicContact CB-CD2 3.79Å; L126-Y161 HydrophobicContact CB-CE1 4Å; L126-Y161 HydrophobicContact CB-CE2 3.99Å; L126-Y161 HydrophobicContact CB-CG 3.7Å; L126-Y161 HydrophobicContact CD1-CD2 3.45Å; L126-Y161 VanDerWaalsContact CD1-CD2 3.45Å; L126-Y161 HydrophobicContact CD1-CE2 4.14Å; L126-Y161 HydrophobicContact CD1-CG 3.83Å; L126-Y161 HydrophobicContact CD2-CG 4.3Å; L126-Y161 HydrophobicContact CG-CD2 4.16Å; L126-Y161 HydrophobicContact CG-CG 4.14Å |
| 127 | E | 98.4 | Very high | 98.5 | Very high | 134 Ų | 134 | 46.1 Ų | 46.1 | 63% | 0.626 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -61.7 | -34.5 | 171.2 | -70.1 | 179.3 | 170.8 | 0 | 0 | 111.8 | V123 G129 Y161 | V123-E127 HydrophobicContact CG1-CG 4.18Å; V123-E127 WeakPolarHBondContact CG1-OE1 3.35Å; V123-E127 WeakPolarHBondContact O-CB 3.32Å; V123-E127 WeakPolarHBondContact O-CG 3.47Å; V123-E127 PolarHBondContact O-N 2.86Å; E127-G129 PolarHBondContact O-N 3.08Å; E127-Y161 HydrophobicContact CG-CE1 4.34Å; E127-Y161 WeakPolarHBondContact CG-OH 3.38Å; E127-Y161 PolarHBondContact OE1-OH 2.95Å |
| 128 | G | 97.4 | Very high | 98.6 | Very high | 41 Ų | 41 | 49.9 Ų | 49.9 | 42% | 0.423 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 3.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115 | M124 L125 L126 | M124-G128 PolarHBondContact O-N 2.89Å; L125-G128 CarbonylContact O-C 3.5Å; L125-G128 WeakPolarHBondContact O-CA 3.17Å; L125-G128 PolarHBondContact O-N 3.32Å; L126-G128 PolarHBondContact O-N 3.5Å |
| 129 | G | 97.9 | Very high | 98.6 | Very high | 48 Ų | 48 | 49.7 Ų | 49.7 | 50% | 0.495 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 23.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N100 L125 L126 E127 N131 | N100-G129 PolarHBondContact ND2-O 2.91Å; N100-G129 VanDerWaalsContact ND2-O 3.13Å; L125-G129 PolarHBondContact O-N 3.45Å; L126-G129 PolarHBondContact O-N 2.98Å; E127-G129 PolarHBondContact O-N 3.08Å; G129-N131 PolarHBondContact O-N 2.73Å |
| 130 | A | 98.6 | Very high | 98.6 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | trans | -60.6 | 135.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V99 N100 L110 L125 P132 | V99-A130 HydrophobicContact CB-CB 4.34Å; N100-A130 WeakPolarHBondContact OD1-CA 3.21Å; L110-A130 HydrophobicContact CD2-CB 4.35Å; L125-A130 HydrophobicContact CB-CB 4.07Å; L125-A130 WeakPolarHBondContact O-CB 3.26Å; L125-A130 PolarHBondContact O-N 2.76Å; A130-P132 VanDerWaalsContact O-CD 3.24Å; A130-P132 WeakPolarHBondContact O-CD 3.28Å | ||
| 131 | N | 98.7 | Very high | 98.6 | Very high | 76 Ų | 76 | 44.1 Ų | 44.1 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | trans | -75.3 | 112.8 | 174 | 176.6 | 11.5 | 0 | 0 | 0 | 109.2 | N100 G129 D133 A134 | N100-N131 PolarHBondContact OD1-N 3.44Å; G129-N131 PolarHBondContact O-N 2.73Å; N131-D133 PolarHBondContact O-N 3.49Å; N131-D133 PolarHBondContact OD1-N 3.45Å; N131-A134 HydrophobicContact CB-CB 4.19Å; N131-A134 PolarHBondContact ND2-N 3.41Å; N131-A134 WeakPolarHBondContact O-CB 3.38Å; N131-A134 PolarHBondContact O-N 3.39Å | ||
| 132 | P | 98.6 | Very high | 98.6 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 14% | 0.143 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25 | 179.4 | 26.8 | -34.8 | 0 | 0 | 0 | 113.2 | L126 A130 A163 | L126-P132 HydrophobicContact CD2-CB 3.94Å; A130-P132 VanDerWaalsContact O-CD 3.24Å; A130-P132 WeakPolarHBondContact O-CD 3.28Å; P132-A163 HydrophobicContact CB-CB 3.77Å |
| 133 | D | 98.8 | Very high | 98.6 | Very high | 48 Ų | 48 | 44.1 Ų | 44.1 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 12.5 | -179 | -68 | -16.7 | 0 | 0 | 0 | 112.4 | N131 K135 A163 S164 I167 | N131-D133 PolarHBondContact O-N 3.49Å; N131-D133 PolarHBondContact OD1-N 3.45Å; D133-K135 PolarHBondContact O-N 3.03Å; D133-A163 WeakPolarHBondContact OD1-CA 3.43Å; D133-S164 PolarHBondContact OD1-N 3.33Å; D133-I167 HydrophobicContact CB-CD1 3.66Å |
| 134 | A | 98.7 | Very high | 98.6 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 12% | 0.116 | 23% | 0.229 | C | C | . | . | trans | -56.9 | 131.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | T108 H111 N131 | T108-A134 HydrophobicContact CG2-CB 3.87Å; H111-A134 PolarHBondContact CE1-O 3.36Å; H111-A134 PolarHBondContact NE2-O 3.37Å; N131-A134 HydrophobicContact CB-CB 4.19Å; N131-A134 PolarHBondContact ND2-N 3.41Å; N131-A134 WeakPolarHBondContact O-CB 3.38Å; N131-A134 PolarHBondContact O-N 3.39Å | ||
| 135 | K | 98.8 | Very high | 98.5 | Very high | 87 Ų | 87 | 43.9 Ų | 43.9 | 38% | 0.378 | 23% | 0.232 | S | C | . | . | trans | -104.5 | 139.8 | 179.2 | -59.5 | -169.4 | -177.4 | -161.3 | 0 | 110.5 | D133 E139 A140 T141 I167 | D133-K135 PolarHBondContact O-N 3.03Å; K135-E139 HydrophobicContact CD-CB 4.22Å; K135-E139 WeakPolarHBondContact CD-OE2 3.49Å; K135-E139 WeakPolarHBondContact CE-OE2 3.06Å; K135-E139 IonicContact NZ-OE2 3.85Å; K135-E139 PolarHBondContact NZ-OE2 3.37Å; K135-A140 WeakPolarHBondContact CA-O 3.49Å; K135-T141 HydrophobicContact CG-CG2 4.11Å; K135-I167 HydrophobicContact CD-CG2 4.36Å | ||
| 136 | D | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | trans | -82.9 | -176 | 168.2 | 70.2 | 18.3 | 0 | 0 | 0 | 111.8 | N105 G106 Y138 E139 A140 R145 | N105-D136 WeakPolarHBondContact O-CB 3.42Å; G106-D136 WeakPolarHBondContact O-CA 3.41Å; D136-Y138 PolarHBondContact O-N 3.49Å; D136-Y138 VanDerWaalsContact O-N 3.15Å; D136-Y138 WeakPolarHBondContact OD1-CA 3.45Å; D136-Y138 WeakPolarHBondContact OD1-CB 3.43Å; D136-Y138 PolarHBondContact OD1-N 2.98Å; D136-E139 WeakPolarHBondContact O-CA 3.5Å; D136-E139 PolarHBondContact O-N 3.07Å; D136-E139 PolarHBondContact OD1-N 3.03Å; D136-A140 PolarHBondContact N-O 3.27Å; D136-A140 PolarHBondContact OD1-N 3.13Å; D136-R145 IonicContact OD2-CZ 3.86Å; D136-R145 IonicContact OD2-NE 3.89Å; D136-R145 IonicContact OD2-NH2 3.79Å; D136-R145 PolarHBondContact OD2-NH2 2.92Å | ||
| 137 | H | 98.6 | Very high | 98.5 | Very high | 123 Ų | 123 | 43.3 Ų | 43.3 | 57% | 0.569 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11.2 | -179.9 | -67.3 | 169.5 | 0 | 0 | 0 | 114.2 | Q104 N105 G106 E139 | Q104-H137 PolarHBondContact O-CE1 2.72Å; Q104-H137 PolarHBondContact O-ND1 2.82Å; N105-H137 WeakPolarHBondContact O-CB 3.45Å; N105-H137 PolarHBondContact O-N 3.08Å; G106-H137 PolarHBondContact N-CE1 3.5Å; H137-E139 VanDerWaalsContact C-N 3.29Å |
| 138 | Y | 98.3 | Very high | 98.5 | Very high | 138 Ų | 138 | 38.1 Ų | 38.1 | 54% | 0.541 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 14.8 | 171.6 | -55.2 | -80.3 | 0 | 0 | 0 | 111.5 | D136 A140 D169 T170 | D136-Y138 PolarHBondContact O-N 3.49Å; D136-Y138 VanDerWaalsContact O-N 3.15Å; D136-Y138 WeakPolarHBondContact OD1-CA 3.45Å; D136-Y138 WeakPolarHBondContact OD1-CB 3.43Å; D136-Y138 PolarHBondContact OD1-N 2.98Å; Y138-A140 PolarHBondContact O-N 2.92Å; Y138-D169 WeakPolarHBondContact O-CB 3.47Å; Y138-T170 VanDerWaalsContact C-CG2 3.44Å; Y138-T170 WeakPolarHBondContact O-CG2 3.2Å; Y138-T170 PolarHBondContact O-N 2.85Å; Y138-T170 PolarHBondContact O-OG1 3.11Å |
| 139 | E | 98.5 | Very high | 98.5 | Very high | 84 Ų | 84 | 41.5 Ų | 41.5 | 39% | 0.393 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 57 | 12.5 | -174.1 | -63.8 | -72.6 | 125.8 | 0 | 0 | 113.6 | K135 D136 H137 T170 | K135-E139 HydrophobicContact CD-CB 4.22Å; K135-E139 WeakPolarHBondContact CD-OE2 3.49Å; K135-E139 WeakPolarHBondContact CE-OE2 3.06Å; K135-E139 IonicContact NZ-OE2 3.85Å; K135-E139 PolarHBondContact NZ-OE2 3.37Å; D136-E139 WeakPolarHBondContact O-CA 3.5Å; D136-E139 PolarHBondContact O-N 3.07Å; D136-E139 PolarHBondContact OD1-N 3.03Å; H137-E139 VanDerWaalsContact C-N 3.29Å; E139-T170 HydrophobicContact CB-CG2 4.1Å; E139-T170 HydrophobicContact CG-CG2 3.87Å |
| 140 | A | 98.8 | Very high | 98.5 | Very high | 13 Ų | 13 | 40.2 Ų | 40.2 | 11% | 0.107 | 20% | 0.199 | C | C | . | . | trans | -88.1 | 146.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | H111 K135 D136 Y138 H144 D169 | H111-A140 PolarHBondContact NE2-O 3.41Å; H111-A140 VanDerWaalsContact NE2-O 3.12Å; K135-A140 WeakPolarHBondContact CA-O 3.49Å; D136-A140 PolarHBondContact N-O 3.27Å; D136-A140 PolarHBondContact OD1-N 3.13Å; Y138-A140 PolarHBondContact O-N 2.92Å; A140-H144 HydrophobicContact CB-CB 4.23Å; A140-D169 HydrophobicContact CB-CB 4.21Å | ||
| 141 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -106.5 | 173.2 | -179.9 | 68.9 | 0 | 0 | 0 | 0 | 112.2 | K135 M143 H144 R145 I167 | K135-T141 HydrophobicContact CG-CG2 4.11Å; T141-M143 PolarHBondContact O-N 2.83Å; T141-M143 PolarHBondContact OG1-N 2.95Å; T141-H144 PolarHBondContact N-ND1 3.3Å; T141-H144 WeakPolarHBondContact O-CB 3.39Å; T141-H144 PolarHBondContact O-N 3.24Å; T141-H144 VanDerWaalsContact O-N 3.15Å; T141-H144 PolarHBondContact OG1-ND1 3.49Å; T141-R145 PolarHBondContact O-N 2.8Å; T141-I167 HydrophobicContact CG2-CB 4.28Å; T141-I167 HydrophobicContact CG2-CD1 3.81Å; T141-I167 HydrophobicContact CG2-CG2 3.87Å | ||
| 142 | A | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.5 | -34.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L110 A114 R145 A146 L158 | L110-A142 HydrophobicContact CD2-CB 4.18Å; L110-A142 HydrophobicContact CG-CB 3.9Å; A114-A142 HydrophobicContact CB-CB 3.82Å; A142-R145 PolarHBondContact O-N 3.28Å; A142-A146 PolarHBondContact O-N 2.96Å; A142-L158 HydrophobicContact CB-CD1 4.22Å; A142-L158 HydrophobicContact CB-CD2 4.12Å |
| 143 | M | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.4 | -36.3 | 178.1 | -171.2 | 162.4 | -79.3 | 0 | 0 | 112.6 | T141 R145 A146 A147 L158 L159 A163 T165 P175 L191 | T141-M143 PolarHBondContact O-N 2.83Å; T141-M143 PolarHBondContact OG1-N 2.95Å; M143-R145 VanDerWaalsContact C-N 3.31Å; M143-R145 PolarHBondContact O-N 2.91Å; M143-A146 PolarHBondContact O-N 3.31Å; M143-A147 WeakPolarHBondContact O-CB 3.28Å; M143-A147 PolarHBondContact O-N 3.11Å; M143-L158 HydrophobicContact CB-CD1 4.15Å; M143-L158 HydrophobicContact CE-CB 3.63Å; M143-L159 HydrophobicContact CE-CD2 3.75Å; M143-L159 HydrophobicContact CE-CG 3.77Å; M143-A163 HydrophobicContact CE-CB 3.61Å; M143-T165 HydrophobicContact SD-CG2 3.86Å; M143-P175 HydrophobicContact CB-CB 4.5Å; M143-P175 HydrophobicContact CB-CG 4.06Å; M143-P175 HydrophobicContact CG-CB 3.8Å; M143-P175 HydrophobicContact CG-CG 3.77Å; M143-P175 HydrophobicContact SD-CG 4.39Å; M143-L191 HydrophobicContact CG-CD2 4.44Å; M143-L191 HydrophobicContact SD-CD2 3.82Å |
| 144 | H | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58 | -46.5 | 173.3 | -69.5 | 77.4 | 0 | 0 | 0 | 110.8 | A140 T141 A147 A148 I167 N173 P175 L178 | A140-H144 HydrophobicContact CB-CB 4.23Å; T141-H144 PolarHBondContact N-ND1 3.3Å; T141-H144 WeakPolarHBondContact O-CB 3.39Å; T141-H144 PolarHBondContact O-N 3.24Å; T141-H144 VanDerWaalsContact O-N 3.15Å; T141-H144 PolarHBondContact OG1-ND1 3.49Å; H144-A147 PolarHBondContact O-N 3.25Å; H144-A148 WeakPolarHBondContact O-CB 3.37Å; H144-A148 PolarHBondContact O-N 3.24Å; H144-I167 PolarHBondContact CE1-O 3.49Å; H144-I167 PolarHBondContact NE2-O 2.97Å; H144-I167 VanDerWaalsContact NE2-O 3.15Å; H144-N173 PolarHBondContact NE2-O 3.24Å; H144-P175 WeakPolarHBondContact NE2-CD 3.48Å; H144-L178 HydrophobicContact CB-CD1 3.77Å |
| 145 | R | 98.4 | Very high | 98.4 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 26% | 0.257 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66 | -41.4 | -179.6 | -62 | 179.6 | 179.1 | -83.8 | -0.7 | 112.3 | C107 H111 D136 T141 A142 M143 K149 | C107-R145 PolarHBondContact SG-NH2 3.26Å; H111-R145 WeakPolarHBondContact O-CD 3.49Å; D136-R145 IonicContact OD2-CZ 3.86Å; D136-R145 IonicContact OD2-NE 3.89Å; D136-R145 IonicContact OD2-NH2 3.79Å; D136-R145 PolarHBondContact OD2-NH2 2.92Å; T141-R145 PolarHBondContact O-N 2.8Å; A142-R145 PolarHBondContact O-N 3.28Å; M143-R145 VanDerWaalsContact C-N 3.31Å; M143-R145 PolarHBondContact O-N 2.91Å; R145-K149 WeakPolarHBondContact O-CB 3.45Å; R145-K149 WeakPolarHBondContact O-CG 3.39Å; R145-K149 PolarHBondContact O-N 3.46Å |
| 146 | A | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.2 | -43.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A142 M143 G150 N151 M154 V155 L158 | A142-A146 PolarHBondContact O-N 2.96Å; M143-A146 PolarHBondContact O-N 3.31Å; A146-G150 PolarHBondContact O-N 2.94Å; A146-N151 HydrophobicContact CB-CB 4.34Å; A146-N151 PolarHBondContact O-N 3.45Å; A146-M154 HydrophobicContact CB-CB 4.07Å; A146-M154 HydrophobicContact CB-CG 3.68Å; A146-V155 HydrophobicContact CB-CG2 3.9Å; A146-L158 HydrophobicContact CB-CD1 4.05Å |
| 147 | A | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.9 | -50.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M143 H144 K149 G150 P175 A179 R184 L191 | M143-A147 WeakPolarHBondContact O-CB 3.28Å; M143-A147 PolarHBondContact O-N 3.11Å; H144-A147 PolarHBondContact O-N 3.25Å; A147-K149 VanDerWaalsContact C-N 3.26Å; A147-K149 PolarHBondContact O-N 2.91Å; A147-G150 PolarHBondContact O-N 3.36Å; A147-P175 HydrophobicContact CB-CB 3.85Å; A147-P175 VanDerWaalsContact CB-O 3.3Å; A147-P175 WeakPolarHBondContact CB-O 3.23Å; A147-A179 HydrophobicContact CB-CB 4.29Å; A147-R184 WeakPolarHBondContact O-CG 3.47Å; A147-L191 HydrophobicContact CB-CD1 4.12Å |
| 148 | A | 98.1 | Very high | 98.4 | Very high | 24 Ų | 24 | 37.3 Ų | 37.3 | 20% | 0.198 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58 | -38.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H144 G150 L178 E182 R184 | H144-A148 WeakPolarHBondContact O-CB 3.37Å; H144-A148 PolarHBondContact O-N 3.24Å; A148-G150 PolarHBondContact O-N 3.45Å; A148-L178 HydrophobicContact CB-CB 4.03Å; A148-L178 HydrophobicContact CB-CD1 4.27Å; A148-E182 HydrophobicContact CB-CG 4.47Å; A148-E182 WeakPolarHBondContact O-CB 3.25Å; A148-E182 WeakPolarHBondContact O-CG 3.43Å; A148-R184 PolarHBondContact O-NE 3.43Å; A148-R184 PolarHBondContact O-NH2 3.01Å |
| 149 | K | 97.8 | Very high | 98.4 | Very high | 113 Ų | 113 | 31.9 Ų | 31.9 | 49% | 0.491 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -82 | -7.2 | -177.9 | -71.7 | -169.3 | 173 | -63.8 | 0 | 115.1 | S115 R145 A147 | S115-K149 WeakPolarHBondContact O-CD 3.5Å; S115-K149 WeakPolarHBondContact O-CE 3.2Å; S115-K149 WeakPolarHBondContact OG-CE 3.4Å; R145-K149 WeakPolarHBondContact O-CB 3.45Å; R145-K149 WeakPolarHBondContact O-CG 3.39Å; R145-K149 PolarHBondContact O-N 3.46Å; A147-K149 VanDerWaalsContact C-N 3.26Å; A147-K149 PolarHBondContact O-N 2.91Å |
| 150 | G | 97.1 | Very high | 98.4 | Very high | 21 Ų | 21 | 34.8 Ų | 34.8 | 22% | 0.216 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 38.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A146 A147 A148 L152 E187 | A146-G150 PolarHBondContact O-N 2.94Å; A147-G150 PolarHBondContact O-N 3.36Å; A148-G150 PolarHBondContact O-N 3.45Å; G150-L152 VanDerWaalsContact C-N 3.35Å; G150-L152 PolarHBondContact O-N 3.02Å; G150-E187 VanDerWaalsContact CA-OE1 3.29Å; G150-E187 WeakPolarHBondContact CA-OE1 3.25Å |
| 151 | N | 97.9 | Very high | 98.3 | Very high | 20 Ų | 20 | 37 Ų | 37 | 11% | 0.107 | 18% | 0.175 | C | C | . | . | trans | -90.4 | 69.4 | 179 | -67.6 | -17.3 | 0 | 0 | 0 | 109.9 | A114 N117 A146 K153 M154 V155 | A114-N151 PolarHBondContact O-ND2 3.33Å; N117-N151 WeakPolarHBondContact OD1-CB 3.43Å; A146-N151 HydrophobicContact CB-CB 4.34Å; A146-N151 PolarHBondContact O-N 3.45Å; N151-K153 VanDerWaalsContact C-N 3.33Å; N151-K153 PolarHBondContact O-N 3.49Å; N151-M154 HydrophobicContact CB-CB 3.7Å; N151-M154 WeakPolarHBondContact O-CA 3.4Å; N151-M154 VanDerWaalsContact O-CB 3.32Å; N151-M154 WeakPolarHBondContact O-CB 3.29Å; N151-M154 PolarHBondContact O-N 2.98Å; N151-V155 PolarHBondContact O-N 3.01Å | ||
| 152 | L | 97.9 | Very high | 98.3 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 32% | 0.319 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -48.4 | -48.8 | -174.8 | -171.9 | 64.2 | 0 | 0 | 0 | 114.1 | G150 M154 V155 H156 E186 E187 L190 | G150-L152 VanDerWaalsContact C-N 3.35Å; G150-L152 PolarHBondContact O-N 3.02Å; L152-M154 VanDerWaalsContact C-N 3.31Å; L152-M154 PolarHBondContact O-N 3.46Å; L152-V155 WeakPolarHBondContact O-CB 3.23Å; L152-V155 PolarHBondContact O-N 3.35Å; L152-H156 PolarHBondContact O-CD2 3.38Å; L152-H156 VanDerWaalsContact O-CD2 3.3Å; L152-H156 PolarHBondContact O-N 2.84Å; L152-E186 HydrophobicContact CD1-CB 4.3Å; L152-E186 HydrophobicContact CD2-CB 4.3Å; L152-E187 HydrophobicContact CB-CG 4.23Å; L152-E187 WeakPolarHBondContact CB-OE1 3.18Å; L152-E187 HydrophobicContact CD1-CG 3.98Å; L152-E187 PolarHBondContact N-OE1 3.4Å; L152-L190 HydrophobicContact CD1-CB 4.25Å; L152-L190 HydrophobicContact CD1-CD2 3.69Å |
| 153 | K | 98.4 | Very high | 98.3 | Very high | 119 Ų | 119 | 45.5 Ų | 45.5 | 52% | 0.517 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.9 | -34.8 | 179.5 | -174.1 | 178.4 | 177.6 | -169 | 0 | 112.1 | N151 H156 I157 | N151-K153 VanDerWaalsContact C-N 3.33Å; N151-K153 PolarHBondContact O-N 3.49Å; K153-H156 WeakPolarHBondContact O-CB 3.43Å; K153-H156 PolarHBondContact O-N 3.13Å; K153-I157 HydrophobicContact CG-CD1 4.42Å; K153-I157 WeakPolarHBondContact O-CG1 3.37Å; K153-I157 PolarHBondContact O-N 2.92Å |
| 154 | M | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.8 | -41.1 | 174.1 | -175.8 | 59 | 60.9 | 0 | 0 | 111.6 | A114 A122 A146 N151 L152 H156 I157 L158 | A114-M154 HydrophobicContact CB-CG 3.91Å; A114-M154 HydrophobicContact CB-SD 4.1Å; A122-M154 HydrophobicContact CB-CE 3.66Å; A122-M154 HydrophobicContact CB-SD 3.61Å; A146-M154 HydrophobicContact CB-CB 4.07Å; A146-M154 HydrophobicContact CB-CG 3.68Å; N151-M154 HydrophobicContact CB-CB 3.7Å; N151-M154 WeakPolarHBondContact O-CA 3.4Å; N151-M154 VanDerWaalsContact O-CB 3.32Å; N151-M154 WeakPolarHBondContact O-CB 3.29Å; N151-M154 PolarHBondContact O-N 2.98Å; L152-M154 VanDerWaalsContact C-N 3.31Å; L152-M154 PolarHBondContact O-N 3.46Å; M154-H156 VanDerWaalsContact C-N 3.31Å; M154-H156 PolarHBondContact O-N 3.12Å; M154-I157 PolarHBondContact O-N 2.65Å; M154-L158 HydrophobicContact CG-CD1 4.14Å; M154-L158 HydrophobicContact CG-CG 4.49Å; M154-L158 WeakPolarHBondContact O-CG 3.41Å; M154-L158 PolarHBondContact O-N 3.33Å; M154-L158 HydrophobicContact SD-CG 4.39Å |
| 155 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.1 | -45 | 174.3 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | A146 N151 L152 I157 L158 L159 L190 L191 | A146-V155 HydrophobicContact CB-CG2 3.9Å; N151-V155 PolarHBondContact O-N 3.01Å; L152-V155 WeakPolarHBondContact O-CB 3.23Å; L152-V155 PolarHBondContact O-N 3.35Å; V155-I157 PolarHBondContact O-N 3.49Å; V155-L158 PolarHBondContact O-N 3.33Å; V155-L159 HydrophobicContact CG1-CD1 3.78Å; V155-L159 HydrophobicContact CG1-CG 4.33Å; V155-L159 WeakPolarHBondContact O-CB 3.13Å; V155-L159 VanDerWaalsContact O-CG 3.23Å; V155-L159 WeakPolarHBondContact O-CG 3.43Å; V155-L159 PolarHBondContact O-N 3.47Å; V155-L190 HydrophobicContact CB-CD2 4.19Å; V155-L190 HydrophobicContact CG1-CD2 3.75Å; V155-L190 HydrophobicContact CG1-CG 4.43Å; V155-L191 HydrophobicContact CG1-CD2 3.9Å; V155-L191 HydrophobicContact CG1-CG 4.26Å |
| 156 | H | 98.4 | Very high | 98.2 | Very high | 98 Ų | 98 | 47.1 Ų | 47.1 | 45% | 0.454 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.3 | -45.1 | 173.6 | -82.1 | -70.5 | 0 | 0 | 0 | 113.4 | L152 K153 M154 L159 F160 L190 | L152-H156 PolarHBondContact O-CD2 3.38Å; L152-H156 VanDerWaalsContact O-CD2 3.3Å; L152-H156 PolarHBondContact O-N 2.84Å; K153-H156 WeakPolarHBondContact O-CB 3.43Å; K153-H156 PolarHBondContact O-N 3.13Å; M154-H156 VanDerWaalsContact C-N 3.31Å; M154-H156 PolarHBondContact O-N 3.12Å; H156-L159 PolarHBondContact O-N 3.33Å; H156-F160 WeakPolarHBondContact O-CB 3.36Å; H156-F160 PolarHBondContact O-N 3.23Å; H156-L190 WeakPolarHBondContact CE1-CD1 3.35Å; H156-L190 WeakPolarHBondContact NE2-CD2 3.35Å |
| 157 | I | 98.7 | Very high | 98.2 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 11% | 0.108 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -48.9 | 178.1 | -70.1 | 164.2 | 0 | 0 | 0 | 110.4 | H119 A122 V123 L126 K153 M154 V155 L159 F160 Y161 | H119-I157 HydrophobicContact CB-CD1 3.7Å; A122-I157 HydrophobicContact CB-CG2 4.49Å; V123-I157 HydrophobicContact CG2-CD1 4.17Å; V123-I157 HydrophobicContact CG2-CG1 4.33Å; V123-I157 HydrophobicContact CG2-CG2 3.87Å; L126-I157 HydrophobicContact CD1-CG2 3.83Å; K153-I157 HydrophobicContact CG-CD1 4.42Å; K153-I157 WeakPolarHBondContact O-CG1 3.37Å; K153-I157 PolarHBondContact O-N 2.92Å; M154-I157 PolarHBondContact O-N 2.65Å; V155-I157 PolarHBondContact O-N 3.49Å; I157-L159 VanDerWaalsContact C-N 3.33Å; I157-L159 PolarHBondContact O-N 2.98Å; I157-F160 WeakPolarHBondContact O-CB 3.42Å; I157-F160 PolarHBondContact O-N 2.8Å; I157-Y161 HydrophobicContact CG2-CD2 4.22Å; I157-Y161 HydrophobicContact CG2-CE2 4.44Å; I157-Y161 WeakPolarHBondContact O-CD2 3.43Å; I157-Y161 PolarHBondContact O-N 3.19Å; I157-Y161 VanDerWaalsContact O-N 3.16Å |
| 158 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | -179.4 | -68.2 | 169.7 | 0 | 0 | 0 | 111.8 | L110 L126 A142 M143 A146 M154 V155 Y161 K162 A163 | L110-L158 HydrophobicContact CD1-CD2 4.41Å; L110-L158 HydrophobicContact CD2-CD2 4.25Å; L126-L158 HydrophobicContact CD1-CD2 4.25Å; A142-L158 HydrophobicContact CB-CD1 4.22Å; A142-L158 HydrophobicContact CB-CD2 4.12Å; M143-L158 HydrophobicContact CB-CD1 4.15Å; M143-L158 HydrophobicContact CE-CB 3.63Å; A146-L158 HydrophobicContact CB-CD1 4.05Å; M154-L158 HydrophobicContact CG-CD1 4.14Å; M154-L158 HydrophobicContact CG-CG 4.49Å; M154-L158 WeakPolarHBondContact O-CG 3.41Å; M154-L158 PolarHBondContact O-N 3.33Å; M154-L158 HydrophobicContact SD-CG 4.39Å; V155-L158 PolarHBondContact O-N 3.33Å; L158-Y161 CarbonylContact O-C 3.47Å; L158-Y161 PolarHBondContact O-N 3.46Å; L158-K162 PolarHBondContact O-N 3.18Å; L158-A163 HydrophobicContact CB-CB 3.87Å; L158-A163 WeakPolarHBondContact O-CB 3.36Å; L158-A163 PolarHBondContact O-N 2.86Å |
| 159 | L | 98.3 | Very high | 98.3 | Very high | 23 Ų | 23 | 51.9 Ų | 51.9 | 12% | 0.12 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 175.9 | -70.6 | 168 | 0 | 0 | 0 | 112.7 | M143 V155 H156 I157 Y161 K162 T165 L190 Q194 | M143-L159 HydrophobicContact CE-CD2 3.75Å; M143-L159 HydrophobicContact CE-CG 3.77Å; V155-L159 HydrophobicContact CG1-CD1 3.78Å; V155-L159 HydrophobicContact CG1-CG 4.33Å; V155-L159 WeakPolarHBondContact O-CB 3.13Å; V155-L159 VanDerWaalsContact O-CG 3.23Å; V155-L159 WeakPolarHBondContact O-CG 3.43Å; V155-L159 PolarHBondContact O-N 3.47Å; H156-L159 PolarHBondContact O-N 3.33Å; I157-L159 VanDerWaalsContact C-N 3.33Å; I157-L159 PolarHBondContact O-N 2.98Å; L159-Y161 PolarHBondContact O-N 3.21Å; L159-K162 PolarHBondContact O-N 3.42Å; L159-T165 HydrophobicContact CD2-CG2 3.46Å; L159-T165 VanDerWaalsContact CD2-CG2 3.46Å; L159-L190 HydrophobicContact CD1-CD1 4.46Å; L159-L190 HydrophobicContact CD1-CD2 4.18Å; L159-L190 HydrophobicContact CD1-CG 4.09Å; L159-Q194 HydrophobicContact CD1-CB 4.07Å; L159-Q194 HydrophobicContact CD1-CG 3.9Å; L159-Q194 HydrophobicContact CD2-CB 4.1Å |
| 160 | F | 98.3 | Very high | 98.3 | Very high | 146 Ų | 146 | 49.2 Ų | 49.2 | 64% | 0.64 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -57.1 | -42.2 | 174.3 | 178.7 | -93.2 | 0 | 0 | 0 | 110.9 | H156 I157 K162 | H156-F160 WeakPolarHBondContact O-CB 3.36Å; H156-F160 PolarHBondContact O-N 3.23Å; I157-F160 WeakPolarHBondContact O-CB 3.42Å; I157-F160 PolarHBondContact O-N 2.8Å; F160-K162 PolarHBondContact O-N 3.19Å |
| 161 | Y | 98.5 | Very high | 98.4 | Very high | 59 Ų | 59 | 54 Ų | 54 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 21.3 | 174.8 | -73 | -79.5 | 0 | 0 | 0 | 114.5 | L126 E127 I157 L158 L159 A163 | L126-Y161 HydrophobicContact CB-CD1 3.79Å; L126-Y161 HydrophobicContact CB-CD2 3.79Å; L126-Y161 HydrophobicContact CB-CE1 4Å; L126-Y161 HydrophobicContact CB-CE2 3.99Å; L126-Y161 HydrophobicContact CB-CG 3.7Å; L126-Y161 HydrophobicContact CD1-CD2 3.45Å; L126-Y161 VanDerWaalsContact CD1-CD2 3.45Å; L126-Y161 HydrophobicContact CD1-CE2 4.14Å; L126-Y161 HydrophobicContact CD1-CG 3.83Å; L126-Y161 HydrophobicContact CD2-CG 4.3Å; L126-Y161 HydrophobicContact CG-CD2 4.16Å; L126-Y161 HydrophobicContact CG-CG 4.14Å; E127-Y161 HydrophobicContact CG-CE1 4.34Å; E127-Y161 WeakPolarHBondContact CG-OH 3.38Å; E127-Y161 PolarHBondContact OE1-OH 2.95Å; I157-Y161 HydrophobicContact CG2-CD2 4.22Å; I157-Y161 HydrophobicContact CG2-CE2 4.44Å; I157-Y161 WeakPolarHBondContact O-CD2 3.43Å; I157-Y161 PolarHBondContact O-N 3.19Å; I157-Y161 VanDerWaalsContact O-N 3.16Å; L158-Y161 CarbonylContact O-C 3.47Å; L158-Y161 PolarHBondContact O-N 3.46Å; L159-Y161 PolarHBondContact O-N 3.21Å; Y161-A163 VanDerWaalsContact C-N 3.31Å; Y161-A163 PolarHBondContact O-N 2.91Å |
| 162 | K | 97.7 | Very high | 98.4 | Very high | 172 Ų | 172 | 53.3 Ų | 53.3 | 75% | 0.748 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 28.2 | 171.1 | -48.9 | -57.7 | 178.9 | -172.1 | 0 | 115.4 | L158 L159 F160 | L158-K162 PolarHBondContact O-N 3.18Å; L159-K162 PolarHBondContact O-N 3.42Å; F160-K162 PolarHBondContact O-N 3.19Å |
| 163 | A | 98.3 | Very high | 98.4 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | trans | -58.2 | 137.2 | 169 | 0 | 0 | 0 | 0 | 0 | 111.4 | P132 D133 M143 L158 Y161 | P132-A163 HydrophobicContact CB-CB 3.77Å; D133-A163 WeakPolarHBondContact OD1-CA 3.43Å; M143-A163 HydrophobicContact CE-CB 3.61Å; L158-A163 HydrophobicContact CB-CB 3.87Å; L158-A163 WeakPolarHBondContact O-CB 3.36Å; L158-A163 PolarHBondContact O-N 2.86Å; Y161-A163 VanDerWaalsContact C-N 3.31Å; Y161-A163 PolarHBondContact O-N 2.91Å | ||
| 164 | S | 98.3 | Very high | 98.4 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 30% | 0.301 | 22% | 0.222 | S | C | . | . | trans | -73.7 | 132.1 | 176.4 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | D133 | D133-S164 PolarHBondContact OD1-N 3.33Š| ||
| 165 | T | 98 | Very high | 98.4 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -86.9 | -9.1 | -179.8 | 52 | 0 | 0 | 0 | 0 | 114 | M143 L159 P175 L191 | M143-T165 HydrophobicContact SD-CG2 3.86Å; L159-T165 HydrophobicContact CD2-CG2 3.46Å; L159-T165 VanDerWaalsContact CD2-CG2 3.46Å; T165-P175 WeakPolarHBondContact O-CD 3.34Å; T165-L191 HydrophobicContact CG2-CD2 3.85Å |
| 166 | N | 98.4 | Very high | 98.5 | Very high | 51 Ų | 51 | 45.4 Ų | 45.4 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | trans | -119.2 | 8.2 | -168 | -69 | -44.3 | 0 | 0 | 0 | 113.8 | Q168 G195 A196 S197 I200 | N166-Q168 PolarHBondContact O-N 3.37Å; N166-G195 PolarHBondContact ND2-O 3.29Å; N166-A196 WeakPolarHBondContact OD1-CA 3.4Å; N166-S197 PolarHBondContact OD1-N 3.1Å; N166-I200 HydrophobicContact CB-CD1 3.76Å | ||
| 167 | I | 98.7 | Very high | 98.5 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | trans | -62.1 | 134 | 172.8 | -68.3 | 170.9 | 0 | 0 | 0 | 108.7 | D133 K135 T141 H144 T174 P175 | D133-I167 HydrophobicContact CB-CD1 3.66Å; K135-I167 HydrophobicContact CD-CG2 4.36Å; T141-I167 HydrophobicContact CG2-CB 4.28Å; T141-I167 HydrophobicContact CG2-CD1 3.81Å; T141-I167 HydrophobicContact CG2-CG2 3.87Å; H144-I167 PolarHBondContact CE1-O 3.49Å; H144-I167 PolarHBondContact NE2-O 2.97Å; H144-I167 VanDerWaalsContact NE2-O 3.15Å; I167-T174 WeakPolarHBondContact O-CA 3.47Å; I167-P175 WeakPolarHBondContact O-CD 3.43Å | ||
| 168 | Q | 98.7 | Very high | 98.4 | Very high | 78 Ų | 78 | 41.6 Ų | 41.6 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | trans | -97.7 | 135.6 | 174.5 | -67.3 | -179.4 | -82.7 | 0 | 0 | 110.4 | N166 G172 N173 T174 I200 E201 | N166-Q168 PolarHBondContact O-N 3.37Å; Q168-G172 WeakPolarHBondContact CG-O 3.5Å; Q168-G172 PolarHBondContact NE2-O 3.17Å; Q168-N173 WeakPolarHBondContact CA-O 3.41Å; Q168-T174 HydrophobicContact CG-CG2 3.75Å; Q168-I200 HydrophobicContact CG-CG2 3.96Å; Q168-I200 VanDerWaalsContact NE2-CG2 3.27Å; Q168-E201 PolarHBondContact NE2-O 3.48Å | ||
| 169 | D | 98.7 | Very high | 98.4 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | trans | -77.8 | -173.9 | 170.9 | 71.4 | 14 | 0 | 0 | 0 | 112.2 | Y138 A140 E171 G172 N173 | Y138-D169 WeakPolarHBondContact O-CB 3.47Å; A140-D169 HydrophobicContact CB-CB 4.21Å; D169-E171 PolarHBondContact O-N 3.15Å; D169-E171 VanDerWaalsContact O-N 3.16Å; D169-E171 WeakPolarHBondContact OD1-CA 3.37Å; D169-E171 WeakPolarHBondContact OD1-CB 3.49Å; D169-E171 PolarHBondContact OD1-N 3.07Å; D169-G172 PolarHBondContact O-N 3Å; D169-G172 PolarHBondContact OD1-N 3.33Å; D169-G172 VanDerWaalsContact OD1-N 3.14Å; D169-N173 PolarHBondContact N-O 3.36Å; D169-N173 PolarHBondContact OD1-N 3.35Å | ||
| 170 | T | 98.4 | Very high | 98.4 | Very high | 56 Ų | 56 | 40.5 Ų | 40.5 | 34% | 0.344 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.9 | -179.8 | 45.1 | 0 | 0 | 0 | 0 | 114.3 | Y138 E139 G172 K203 | Y138-T170 VanDerWaalsContact C-CG2 3.44Å; Y138-T170 WeakPolarHBondContact O-CG2 3.2Å; Y138-T170 PolarHBondContact O-N 2.85Å; Y138-T170 PolarHBondContact O-OG1 3.11Å; E139-T170 HydrophobicContact CB-CG2 4.1Å; E139-T170 HydrophobicContact CG-CG2 3.87Å; T170-G172 VanDerWaalsContact C-N 3.34Å; T170-K203 WeakPolarHBondContact O-CD 3.2Å; T170-K203 WeakPolarHBondContact O-CE 3.46Å; T170-K203 PolarHBondContact O-NZ 3.17Å |
| 171 | E | 98.4 | Very high | 98.4 | Very high | 121 Ų | 121 | 36.6 Ų | 36.6 | 57% | 0.565 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 0.1 | 176.2 | -65.8 | -179.5 | -169.5 | 0 | 0 | 111.8 | D169 N173 K203 | D169-E171 PolarHBondContact O-N 3.15Å; D169-E171 VanDerWaalsContact O-N 3.16Å; D169-E171 WeakPolarHBondContact OD1-CA 3.37Å; D169-E171 WeakPolarHBondContact OD1-CB 3.49Å; D169-E171 PolarHBondContact OD1-N 3.07Å; E171-N173 WeakPolarHBondContact CB-ND2 3.38Å; E171-N173 PolarHBondContact OE2-ND2 3.47Å; E171-K203 WeakPolarHBondContact O-CB 3.34Å; E171-K203 WeakPolarHBondContact O-CG 3.4Å; E171-K203 PolarHBondContact O-N 2.9Å |
| 172 | G | 98.4 | Very high | 98.3 | Very high | 7 Ų | 7 | 38 Ų | 38 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 79.4 | 5.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q168 D169 T170 N202 | Q168-G172 WeakPolarHBondContact CG-O 3.5Å; Q168-G172 PolarHBondContact NE2-O 3.17Å; D169-G172 PolarHBondContact O-N 3Å; D169-G172 PolarHBondContact OD1-N 3.33Å; D169-G172 VanDerWaalsContact OD1-N 3.14Å; T170-G172 VanDerWaalsContact C-N 3.34Å; G172-N202 WeakPolarHBondContact O-CA 3.4Å; G172-N202 WeakPolarHBondContact O-CB 3.33Å |
| 173 | N | 98.8 | Very high | 98.2 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | trans | -78.2 | 136.1 | -179.8 | -64.5 | -47 | 0 | 0 | 0 | 109.7 | H144 Q168 D169 E171 H177 L178 N202 | H144-N173 PolarHBondContact NE2-O 3.24Å; Q168-N173 WeakPolarHBondContact CA-O 3.41Å; D169-N173 PolarHBondContact N-O 3.36Å; D169-N173 PolarHBondContact OD1-N 3.35Å; E171-N173 WeakPolarHBondContact CB-ND2 3.38Å; E171-N173 PolarHBondContact OE2-ND2 3.47Å; N173-H177 HydrophobicContact CB-CB 3.86Å; N173-L178 HydrophobicContact CB-CD2 4.15Å; N173-N202 VanDerWaalsContact OD1-CB 3.3Å; N173-N202 WeakPolarHBondContact OD1-CB 3.29Å; N173-N202 PolarHBondContact OD1-ND2 3.22Å | ||
| 174 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -89.6 | 167.2 | 167.2 | 67 | 0 | 0 | 0 | 0 | 110 | I167 Q168 L176 H177 L178 I200 | I167-T174 WeakPolarHBondContact O-CA 3.47Å; Q168-T174 HydrophobicContact CG-CG2 3.75Å; T174-L176 PolarHBondContact O-N 2.89Å; T174-L176 VanDerWaalsContact O-N 3.07Å; T174-L176 PolarHBondContact OG1-N 3.13Å; T174-H177 PolarHBondContact N-ND1 3.33Å; T174-H177 WeakPolarHBondContact O-CB 3.49Å; T174-H177 PolarHBondContact O-N 2.97Å; T174-H177 PolarHBondContact OG1-N 3.25Å; T174-H177 PolarHBondContact OG1-ND1 3.5Å; T174-L178 PolarHBondContact O-N 3.13Å; T174-I200 HydrophobicContact CG2-CB 4.2Å; T174-I200 HydrophobicContact CG2-CD1 3.91Å; T174-I200 HydrophobicContact CG2-CG2 3.78Å | ||
| 175 | P | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.3 | -31.8 | 172.1 | -26.9 | 34.7 | 0 | 0 | 0 | 113.4 | M143 H144 A147 T165 I167 L178 A179 L191 | M143-P175 HydrophobicContact CB-CB 4.5Å; M143-P175 HydrophobicContact CB-CG 4.06Å; M143-P175 HydrophobicContact CG-CB 3.8Å; M143-P175 HydrophobicContact CG-CG 3.77Å; M143-P175 HydrophobicContact SD-CG 4.39Å; H144-P175 WeakPolarHBondContact NE2-CD 3.48Å; A147-P175 HydrophobicContact CB-CB 3.85Å; A147-P175 VanDerWaalsContact CB-O 3.3Å; A147-P175 WeakPolarHBondContact CB-O 3.23Å; T165-P175 WeakPolarHBondContact O-CD 3.34Å; I167-P175 WeakPolarHBondContact O-CD 3.43Å; P175-L178 PolarHBondContact O-N 3.04Å; P175-A179 PolarHBondContact O-N 2.88Å; P175-L191 HydrophobicContact CB-CD1 4.27Å |
| 176 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.4 | -36.3 | 176.6 | -174.3 | 61.3 | 0 | 0 | 0 | 112.7 | T174 L178 A179 C180 A188 L191 V192 A196 I198 P208 L220 | T174-L176 PolarHBondContact O-N 2.89Å; T174-L176 VanDerWaalsContact O-N 3.07Å; T174-L176 PolarHBondContact OG1-N 3.13Å; L176-L178 VanDerWaalsContact C-N 3.3Å; L176-L178 PolarHBondContact O-N 3.11Å; L176-A179 PolarHBondContact O-N 3.25Å; L176-C180 WeakPolarHBondContact O-CB 3.39Å; L176-C180 PolarHBondContact O-N 3.13Å; L176-C180 PolarHBondContact O-SG 3.46Å; L176-A188 HydrophobicContact CD1-CB 3.83Å; L176-L191 HydrophobicContact CB-CD1 4.48Å; L176-L191 HydrophobicContact CD1-CB 4.13Å; L176-L191 HydrophobicContact CD1-CD1 4.4Å; L176-V192 HydrophobicContact CD1-CG2 3.96Å; L176-V192 HydrophobicContact CD2-CG2 3.61Å; L176-V192 HydrophobicContact CG-CG2 4.46Å; L176-A196 HydrophobicContact CB-CB 4.25Å; L176-A196 HydrophobicContact CD2-CB 3.95Å; L176-I198 HydrophobicContact CD2-CG2 4.02Å; L176-P208 HydrophobicContact CB-CB 4.39Å; L176-P208 HydrophobicContact CB-CG 4.33Å; L176-P208 HydrophobicContact CD2-CB 3.94Å; L176-P208 HydrophobicContact CD2-CG 3.98Å; L176-P208 HydrophobicContact CG-CB 3.76Å; L176-P208 HydrophobicContact CG-CG 4.09Å; L176-L220 HydrophobicContact CD1-CD1 4.26Å |
| 177 | H | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.1 | -46.4 | 172.4 | -70.9 | 82.5 | 0 | 0 | 0 | 110.6 | N173 T174 C180 D181 I200 K206 P208 | N173-H177 HydrophobicContact CB-CB 3.86Å; T174-H177 PolarHBondContact N-ND1 3.33Å; T174-H177 WeakPolarHBondContact O-CB 3.49Å; T174-H177 PolarHBondContact O-N 2.97Å; T174-H177 PolarHBondContact OG1-N 3.25Å; T174-H177 PolarHBondContact OG1-ND1 3.5Å; H177-C180 WeakPolarHBondContact O-CB 3.4Å; H177-C180 PolarHBondContact O-N 2.77Å; H177-D181 PolarHBondContact O-N 3.31Å; H177-I200 PolarHBondContact CE1-O 3.34Å; H177-I200 PolarHBondContact NE2-O 3.12Å; H177-K206 PolarHBondContact NE2-O 3.36Å; H177-P208 VanDerWaalsContact CE1-CD 3.49Å; H177-P208 WeakPolarHBondContact CE1-CD 3.37Å; H177-P208 WeakPolarHBondContact NE2-CD 3.49Å |
| 178 | L | 98.3 | Very high | 98 | Very high | 38 Ų | 38 | 41.1 Ų | 41.1 | 20% | 0.199 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.7 | -42 | -179.7 | -56.6 | -176.2 | 0 | 0 | 0 | 112.2 | H144 A148 N173 T174 P175 L176 C180 D181 E182 | H144-L178 HydrophobicContact CB-CD1 3.77Å; A148-L178 HydrophobicContact CB-CB 4.03Å; A148-L178 HydrophobicContact CB-CD1 4.27Å; N173-L178 HydrophobicContact CB-CD2 4.15Å; T174-L178 PolarHBondContact O-N 3.13Å; P175-L178 PolarHBondContact O-N 3.04Å; L176-L178 VanDerWaalsContact C-N 3.3Å; L176-L178 PolarHBondContact O-N 3.11Å; L178-C180 VanDerWaalsContact C-N 3.28Å; L178-C180 PolarHBondContact O-N 2.81Å; L178-D181 PolarHBondContact O-N 3.48Å; L178-E182 VanDerWaalsContact O-CB 3.28Å; L178-E182 WeakPolarHBondContact O-CB 3.18Å; L178-E182 WeakPolarHBondContact O-CG 3.46Å; L178-E182 PolarHBondContact O-N 3.38Å |
| 179 | A | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -39.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | A147 P175 L176 E183 R184 A188 L191 | A147-A179 HydrophobicContact CB-CB 4.29Å; P175-A179 PolarHBondContact O-N 2.88Å; L176-A179 PolarHBondContact O-N 3.25Å; A179-E183 PolarHBondContact O-N 3.21Å; A179-R184 HydrophobicContact CB-CB 4.13Å; A179-R184 WeakPolarHBondContact O-CB 3.28Å; A179-R184 PolarHBondContact O-N 2.91Å; A179-A188 HydrophobicContact CB-CB 4.08Å; A179-L191 HydrophobicContact CB-CD1 4.27Å |
| 180 | C | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.1 | -44.5 | 177.4 | -78 | 0 | 0 | 0 | 0 | 113.1 | L176 H177 L178 E182 E183 P208 A212 L220 | L176-C180 WeakPolarHBondContact O-CB 3.39Å; L176-C180 PolarHBondContact O-N 3.13Å; L176-C180 PolarHBondContact O-SG 3.46Å; H177-C180 WeakPolarHBondContact O-CB 3.4Å; H177-C180 PolarHBondContact O-N 2.77Å; L178-C180 VanDerWaalsContact C-N 3.28Å; L178-C180 PolarHBondContact O-N 2.81Å; C180-E182 VanDerWaalsContact C-N 3.31Å; C180-E182 PolarHBondContact O-N 2.98Å; C180-E183 PolarHBondContact O-N 2.93Å; C180-P208 WeakPolarHBondContact CB-O 3.5Å; C180-P208 PolarHBondContact SG-O 3.04Å; C180-P208 VanDerWaalsContact SG-O 3.36Å; C180-A212 HydrophobicContact CB-CB 3.86Å; C180-L220 WeakPolarHBondContact SG-CD1 3.46Å |
| 181 | D | 97.5 | Very high | 97.8 | Very high | 64 Ų | 64 | 37.2 Ų | 37.2 | 34% | 0.342 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.2 | -37.6 | 179.2 | -172.5 | 43 | 0 | 0 | 0 | 111.8 | H177 L178 E183 V211 K213 | H177-D181 PolarHBondContact O-N 3.31Å; L178-D181 PolarHBondContact O-N 3.48Å; D181-E183 VanDerWaalsContact C-N 3.29Å; D181-E183 PolarHBondContact O-N 3.48Å; D181-V211 HydrophobicContact CB-CG1 3.64Å; D181-K213 WeakPolarHBondContact O-CE 3.36Å; D181-K213 PolarHBondContact O-NZ 3.48Å; D181-K213 WeakPolarHBondContact OD1-CE 3.48Å; D181-K213 IonicContact OD1-NZ 2.74Å; D181-K213 PolarHBondContact OD1-NZ 2.9Å |
| 182 | E | 97.1 | Very high | 97.8 | Very high | 87 Ų | 87 | 32 Ų | 32 | 41% | 0.407 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 7.7 | -179.5 | -68.9 | -76 | 159.4 | 0 | 0 | 113.7 | A148 L178 C180 R184 | A148-E182 HydrophobicContact CB-CG 4.47Å; A148-E182 WeakPolarHBondContact O-CB 3.25Å; A148-E182 WeakPolarHBondContact O-CG 3.43Å; L178-E182 VanDerWaalsContact O-CB 3.28Å; L178-E182 WeakPolarHBondContact O-CB 3.18Å; L178-E182 WeakPolarHBondContact O-CG 3.46Å; L178-E182 PolarHBondContact O-N 3.38Å; C180-E182 VanDerWaalsContact C-N 3.31Å; C180-E182 PolarHBondContact O-N 2.98Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 HydrophobicContact CB-CG 3.78Å; E182-R184 WeakPolarHBondContact O-CD 3.37Å; E182-R184 PolarHBondContact O-N 3.47Å; E182-R184 PolarHBondContact O-NE 3.5Å; E182-R184 IonicContact OE2-CZ 2.91Å; E182-R184 IonicContact OE2-NH2 2.73Å; E182-R184 PolarHBondContact OE2-NH2 3.37Å |
| 183 | E | 96.7 | Very high | 97.7 | Very high | 121 Ų | 121 | 35.7 Ų | 35.7 | 57% | 0.565 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 34.8 | 178.2 | -60.1 | -179.6 | -105.8 | 0 | 0 | 114 | A179 C180 D181 V185 K213 | A179-E183 PolarHBondContact O-N 3.21Å; C180-E183 PolarHBondContact O-N 2.93Å; D181-E183 VanDerWaalsContact C-N 3.29Å; D181-E183 PolarHBondContact O-N 3.48Å; E183-V185 VanDerWaalsContact C-N 3.34Å; E183-V185 PolarHBondContact O-N 2.95Å; E183-K213 HydrophobicContact CG-CB 3.94Å; E183-K213 HydrophobicContact CG-CD 4.22Å |
| 184 | R | 97.3 | Very high | 97.5 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 29% | 0.291 | 20% | 0.198 | S | C | . | . | trans | -82.8 | 75.6 | 179.3 | -50.3 | -54.9 | -175.5 | -155.7 | -18.7 | 110.5 | A147 A148 A179 E182 E186 E187 A188 | A147-R184 WeakPolarHBondContact O-CG 3.47Å; A148-R184 PolarHBondContact O-NE 3.43Å; A148-R184 PolarHBondContact O-NH2 3.01Å; A179-R184 HydrophobicContact CB-CB 4.13Å; A179-R184 WeakPolarHBondContact O-CB 3.28Å; A179-R184 PolarHBondContact O-N 2.91Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 HydrophobicContact CB-CG 3.78Å; E182-R184 WeakPolarHBondContact O-CD 3.37Å; E182-R184 PolarHBondContact O-N 3.47Å; E182-R184 PolarHBondContact O-NE 3.5Å; E182-R184 IonicContact OE2-CZ 2.91Å; E182-R184 IonicContact OE2-NH2 2.73Å; E182-R184 PolarHBondContact OE2-NH2 3.37Å; R184-E186 PolarHBondContact O-N 3.23Å; R184-E187 HydrophobicContact CB-CB 3.99Å; R184-E187 HydrophobicContact CB-CG 4.31Å; R184-E187 WeakPolarHBondContact CB-OE2 3.37Å; R184-E187 PolarHBondContact O-N 2.9Å; R184-A188 VanDerWaalsContact O-CB 3.23Å; R184-A188 WeakPolarHBondContact O-CB 3.44Å; R184-A188 PolarHBondContact O-N 3.39Å | ||
| 185 | V | 96.2 | Very high | 97.3 | Very high | 54 Ų | 54 | 42.7 Ų | 42.7 | 33% | 0.327 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.7 | -49.1 | -169.5 | 177 | 0 | 0 | 0 | 0 | 112.9 | E183 K189 L216 | E183-V185 VanDerWaalsContact C-N 3.34Å; E183-V185 PolarHBondContact O-N 2.95Å; V185-K189 HydrophobicContact CG1-CD 4.23Å; V185-K189 VanDerWaalsContact CG1-CE 3.49Å; V185-K189 WeakPolarHBondContact O-CG 3.22Å; V185-K189 PolarHBondContact O-N 3.23Å; V185-L216 HydrophobicContact CB-CD1 4.37Å; V185-L216 HydrophobicContact CG1-CD1 4.15Å; V185-L216 HydrophobicContact CG2-CD1 4.24Å |
| 186 | E | 97.3 | Very high | 97.2 | Very high | 101 Ų | 101 | 43 Ų | 43 | 47% | 0.472 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.6 | -36 | -175.2 | -63.3 | -52.7 | 130.1 | 0 | 0 | 111.9 | L152 R184 K189 L190 | L152-E186 HydrophobicContact CD1-CB 4.3Å; L152-E186 HydrophobicContact CD2-CB 4.3Å; R184-E186 PolarHBondContact O-N 3.23Å; E186-K189 IonicContact OE1-NZ 2.76Å; E186-K189 PolarHBondContact OE1-NZ 2.66Å; E186-K189 IonicContact OE2-NZ 2.67Å; E186-L190 VanDerWaalsContact O-CB 3.3Å; E186-L190 WeakPolarHBondContact O-CB 3.47Å; E186-L190 PolarHBondContact O-N 3.11Å |
| 187 | E | 97.1 | Very high | 97.2 | Very high | 21 Ų | 21 | 44.5 Ų | 44.5 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.2 | -44.1 | 174.2 | -65.1 | 77.1 | -177.5 | 0 | 0 | 111.5 | G150 L152 R184 L190 L191 | G150-E187 VanDerWaalsContact CA-OE1 3.29Å; G150-E187 WeakPolarHBondContact CA-OE1 3.25Å; L152-E187 HydrophobicContact CB-CG 4.23Å; L152-E187 WeakPolarHBondContact CB-OE1 3.18Å; L152-E187 HydrophobicContact CD1-CG 3.98Å; L152-E187 PolarHBondContact N-OE1 3.4Å; R184-E187 HydrophobicContact CB-CB 3.99Å; R184-E187 HydrophobicContact CB-CG 4.31Å; R184-E187 WeakPolarHBondContact CB-OE2 3.37Å; R184-E187 PolarHBondContact O-N 2.9Å; E187-L190 PolarHBondContact O-N 2.91Å; E187-L191 WeakPolarHBondContact O-CB 3.31Å; E187-L191 VanDerWaalsContact O-CG 3.28Å; E187-L191 WeakPolarHBondContact O-CG 3.45Å; E187-L191 PolarHBondContact O-N 3.19Å |
| 188 | A | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L176 A179 R184 L191 V192 L216 L220 | L176-A188 HydrophobicContact CD1-CB 3.83Å; A179-A188 HydrophobicContact CB-CB 4.08Å; R184-A188 VanDerWaalsContact O-CB 3.23Å; R184-A188 WeakPolarHBondContact O-CB 3.44Å; R184-A188 PolarHBondContact O-N 3.39Å; A188-L191 PolarHBondContact O-N 3.27Å; A188-V192 WeakPolarHBondContact O-CG2 3.43Å; A188-V192 PolarHBondContact O-N 3.44Å; A188-L216 HydrophobicContact CB-CD1 4.43Å; A188-L216 HydrophobicContact CB-CD2 4.32Å; A188-L220 HydrophobicContact CB-CD1 4.07Å; A188-L220 HydrophobicContact CB-CD2 4.01Å |
| 189 | K | 97.6 | Very high | 97.1 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 24% | 0.243 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 172.7 | -71.1 | 171.7 | -175.6 | 167.5 | 0 | 111.3 | V185 E186 L191 V192 T193 I219 L220 I223 | V185-K189 HydrophobicContact CG1-CD 4.23Å; V185-K189 VanDerWaalsContact CG1-CE 3.49Å; V185-K189 WeakPolarHBondContact O-CG 3.22Å; V185-K189 PolarHBondContact O-N 3.23Å; E186-K189 IonicContact OE1-NZ 2.76Å; E186-K189 PolarHBondContact OE1-NZ 2.66Å; E186-K189 IonicContact OE2-NZ 2.67Å; K189-L191 PolarHBondContact O-N 3.35Å; K189-V192 PolarHBondContact O-N 3.2Å; K189-T193 WeakPolarHBondContact O-CG2 3.32Å; K189-T193 PolarHBondContact O-N 3.18Å; K189-T193 PolarHBondContact O-OG1 2.73Å; K189-I219 HydrophobicContact CG-CG2 4.49Å; K189-L220 HydrophobicContact CG-CD2 4.23Å; K189-I223 HydrophobicContact CB-CD1 4.17Å; K189-I223 HydrophobicContact CG-CD1 3.74Å |
| 190 | L | 97.7 | Very high | 97.1 | Very high | 20 Ų | 20 | 51.6 Ų | 51.6 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.6 | -49.1 | 178.6 | 176.4 | 63.2 | 0 | 0 | 0 | 110.9 | L152 V155 H156 L159 E186 E187 V192 T193 Q194 | L152-L190 HydrophobicContact CD1-CB 4.25Å; L152-L190 HydrophobicContact CD1-CD2 3.69Å; V155-L190 HydrophobicContact CB-CD2 4.19Å; V155-L190 HydrophobicContact CG1-CD2 3.75Å; V155-L190 HydrophobicContact CG1-CG 4.43Å; H156-L190 WeakPolarHBondContact CE1-CD1 3.35Å; H156-L190 WeakPolarHBondContact NE2-CD2 3.35Å; L159-L190 HydrophobicContact CD1-CD1 4.46Å; L159-L190 HydrophobicContact CD1-CD2 4.18Å; L159-L190 HydrophobicContact CD1-CG 4.09Å; E186-L190 VanDerWaalsContact O-CB 3.3Å; E186-L190 WeakPolarHBondContact O-CB 3.47Å; E186-L190 PolarHBondContact O-N 3.11Å; E187-L190 PolarHBondContact O-N 2.91Å; L190-V192 PolarHBondContact O-N 2.9Å; L190-T193 WeakPolarHBondContact CA-OG1 3.34Å; L190-T193 PolarHBondContact O-N 3.2Å; L190-T193 PolarHBondContact O-OG1 2.77Å; L190-Q194 HydrophobicContact CD1-CG 3.98Å; L190-Q194 WeakPolarHBondContact O-CB 3.35Å; L190-Q194 WeakPolarHBondContact O-CG 3.35Å; L190-Q194 PolarHBondContact O-N 3.26Å |
| 191 | L | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 179.1 | -75.1 | 171.3 | 0 | 0 | 0 | 111.5 | M143 A147 V155 T165 P175 L176 A179 E187 A188 K189 Q194 G195 A196 | M143-L191 HydrophobicContact CG-CD2 4.44Å; M143-L191 HydrophobicContact SD-CD2 3.82Å; A147-L191 HydrophobicContact CB-CD1 4.12Å; V155-L191 HydrophobicContact CG1-CD2 3.9Å; V155-L191 HydrophobicContact CG1-CG 4.26Å; T165-L191 HydrophobicContact CG2-CD2 3.85Å; P175-L191 HydrophobicContact CB-CD1 4.27Å; L176-L191 HydrophobicContact CB-CD1 4.48Å; L176-L191 HydrophobicContact CD1-CB 4.13Å; L176-L191 HydrophobicContact CD1-CD1 4.4Å; A179-L191 HydrophobicContact CB-CD1 4.27Å; E187-L191 WeakPolarHBondContact O-CB 3.31Å; E187-L191 VanDerWaalsContact O-CG 3.28Å; E187-L191 WeakPolarHBondContact O-CG 3.45Å; E187-L191 PolarHBondContact O-N 3.19Å; A188-L191 PolarHBondContact O-N 3.27Å; K189-L191 PolarHBondContact O-N 3.35Å; L191-Q194 CarbonylContact O-C 3.36Å; L191-Q194 PolarHBondContact O-N 3.33Å; L191-Q194 VanDerWaalsContact O-N 3.1Å; L191-G195 PolarHBondContact O-N 3.34Å; L191-A196 VanDerWaalsContact C-CB 3.41Å; L191-A196 HydrophobicContact CB-CB 3.8Å; L191-A196 WeakPolarHBondContact O-CB 3.43Å; L191-A196 PolarHBondContact O-N 3.46Å |
| 192 | V | 97.5 | Very high | 97.2 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 7% | 0.073 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 177.4 | 171 | 0 | 0 | 0 | 0 | 111.6 | L176 A188 K189 L190 Q194 G195 I198 L220 I223 V224 | L176-V192 HydrophobicContact CD1-CG2 3.96Å; L176-V192 HydrophobicContact CD2-CG2 3.61Å; L176-V192 HydrophobicContact CG-CG2 4.46Å; A188-V192 WeakPolarHBondContact O-CG2 3.43Å; A188-V192 PolarHBondContact O-N 3.44Å; K189-V192 PolarHBondContact O-N 3.2Å; L190-V192 PolarHBondContact O-N 2.9Å; V192-Q194 PolarHBondContact O-N 2.98Å; V192-Q194 VanDerWaalsContact O-N 3.11Å; V192-G195 PolarHBondContact O-N 2.85Å; V192-I198 HydrophobicContact CG2-CG2 3.82Å; V192-L220 HydrophobicContact CG2-CB 4.41Å; V192-L220 HydrophobicContact CG2-CD1 4.46Å; V192-L220 HydrophobicContact CG2-CD2 3.98Å; V192-L220 HydrophobicContact CG2-CG 4.49Å; V192-I223 HydrophobicContact CG1-CB 4.29Å; V192-I223 HydrophobicContact CG1-CG2 3.8Å; V192-V224 HydrophobicContact CG1-CG2 3.4Å; V192-V224 VanDerWaalsContact CG1-CG2 3.4Å |
| 193 | T | 96.3 | Very high | 97.3 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 52% | 0.515 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.4 | -18.4 | 176.7 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | K189 L190 I223 | K189-T193 WeakPolarHBondContact O-CG2 3.32Å; K189-T193 PolarHBondContact O-N 3.18Å; K189-T193 PolarHBondContact O-OG1 2.73Å; L190-T193 WeakPolarHBondContact CA-OG1 3.34Å; L190-T193 PolarHBondContact O-N 3.2Å; L190-T193 PolarHBondContact O-OG1 2.77Å; T193-I223 HydrophobicContact CG2-CG2 3.91Å |
| 194 | Q | 95.9 | Very high | 97.3 | Very high | 112 Ų | 112 | 58.4 Ų | 58.4 | 52% | 0.523 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 18.6 | 178.6 | -62.5 | -69.4 | -41 | 0 | 0 | 112.4 | L159 L190 L191 V192 | L159-Q194 HydrophobicContact CD1-CB 4.07Å; L159-Q194 HydrophobicContact CD1-CG 3.9Å; L159-Q194 HydrophobicContact CD2-CB 4.1Å; L190-Q194 HydrophobicContact CD1-CG 3.98Å; L190-Q194 WeakPolarHBondContact O-CB 3.35Å; L190-Q194 WeakPolarHBondContact O-CG 3.35Å; L190-Q194 PolarHBondContact O-N 3.26Å; L191-Q194 CarbonylContact O-C 3.36Å; L191-Q194 PolarHBondContact O-N 3.33Å; L191-Q194 VanDerWaalsContact O-N 3.1Å; V192-Q194 PolarHBondContact O-N 2.98Å; V192-Q194 VanDerWaalsContact O-N 3.11Å |
| 195 | G | 93.4 | Very high | 97.4 | Very high | 49 Ų | 49 | 62 Ų | 62 | 51% | 0.505 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | 15.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | N166 L191 V192 S197 | N166-G195 PolarHBondContact ND2-O 3.29Å; L191-G195 PolarHBondContact O-N 3.34Å; V192-G195 PolarHBondContact O-N 2.85Å; G195-S197 PolarHBondContact O-N 2.97Å |
| 196 | A | 97.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | trans | -66.4 | 127.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | N166 L176 L191 | N166-A196 WeakPolarHBondContact OD1-CA 3.4Å; L176-A196 HydrophobicContact CB-CB 4.25Å; L176-A196 HydrophobicContact CD2-CB 3.95Å; L191-A196 VanDerWaalsContact C-CB 3.41Å; L191-A196 HydrophobicContact CB-CB 3.8Å; L191-A196 WeakPolarHBondContact O-CB 3.43Å; L191-A196 PolarHBondContact O-N 3.46Å | ||
| 197 | S | 97.9 | Very high | 97.5 | Very high | 33 Ų | 33 | 59.7 Ų | 59.7 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | trans | -76.7 | 129.6 | -179 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | N166 G195 Y199 | N166-S197 PolarHBondContact OD1-N 3.1Å; G195-S197 PolarHBondContact O-N 2.97Å; S197-Y199 VanDerWaalsContact C-N 3.26Å; S197-Y199 PolarHBondContact OG-N 3.43Å; S197-Y199 VanDerWaalsContact OG-N 3.16Å | ||
| 198 | I | 97.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -83.6 | 0.3 | 171.5 | 58.7 | 162.2 | 0 | 0 | 0 | 113.1 | L176 V192 T207 L209 V224 | L176-I198 HydrophobicContact CD2-CG2 4.02Å; V192-I198 HydrophobicContact CG2-CG2 3.82Å; I198-T207 WeakPolarHBondContact O-CB 3.42Å; I198-L209 HydrophobicContact CB-CD1 4.26Å; I198-L209 HydrophobicContact CB-CD2 4.11Å; I198-L209 HydrophobicContact CB-CG 4.02Å; I198-L209 HydrophobicContact CD1-CD1 3.93Å; I198-L209 HydrophobicContact CG2-CD2 4.07Å; I198-V224 HydrophobicContact CD1-CB 3.82Å; I198-V224 HydrophobicContact CD1-CG1 3.95Å; I198-V224 HydrophobicContact CD1-CG2 3.7Å; I198-V224 HydrophobicContact CG1-CG1 4.41Å; I198-V224 HydrophobicContact CG1-CG2 4.02Å; I198-V224 HydrophobicContact CG2-CG2 4.01Å |
| 199 | Y | 97.9 | Very high | 97.5 | Very high | 147 Ų | 147 | 60.5 Ų | 60.5 | 58% | 0.576 | 30% | 0.302 | S | S | * | . | trans | -111 | -6.5 | -173 | -53.2 | -69.8 | 0 | 0 | 0 | 114.1 | S197 E201 | S197-Y199 VanDerWaalsContact C-N 3.26Å; S197-Y199 PolarHBondContact OG-N 3.43Å; S197-Y199 VanDerWaalsContact OG-N 3.16Å; Y199-E201 PolarHBondContact O-N 3.13Å | ||
| 200 | I | 98.3 | Very high | 97.4 | Very high | 37 Ų | 37 | 63.7 Ų | 63.7 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | trans | -69.7 | 127 | 178.3 | -67.6 | 169.4 | 0 | 0 | 0 | 108.1 | N166 Q168 T174 H177 T207 P208 | N166-I200 HydrophobicContact CB-CD1 3.76Å; Q168-I200 HydrophobicContact CG-CG2 3.96Å; Q168-I200 VanDerWaalsContact NE2-CG2 3.27Å; T174-I200 HydrophobicContact CG2-CB 4.2Å; T174-I200 HydrophobicContact CG2-CD1 3.91Å; T174-I200 HydrophobicContact CG2-CG2 3.78Å; H177-I200 PolarHBondContact CE1-O 3.34Å; H177-I200 PolarHBondContact NE2-O 3.12Å; I200-T207 WeakPolarHBondContact O-CA 3.38Å; I200-P208 WeakPolarHBondContact O-CD 3.45Å | ||
| 201 | E | 98.4 | Very high | 97.4 | Very high | 111 Ų | 111 | 64 Ų | 64 | 52% | 0.519 | 32% | 0.32 | S | S | . | . | trans | -92.8 | 138.3 | 175.3 | -69.7 | 173.7 | -178.5 | 0 | 0 | 110.5 | Q168 Y199 K206 T207 | Q168-E201 PolarHBondContact NE2-O 3.48Å; Y199-E201 PolarHBondContact O-N 3.13Å; E201-K206 WeakPolarHBondContact CA-O 3.08Å; E201-T207 HydrophobicContact CG-CG2 3.81Å | ||
| 202 | N | 98.3 | Very high | 97.3 | Very high | 17 Ų | 17 | 64.7 Ų | 64.7 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | trans | -79.8 | -176.7 | 169.3 | 73 | 5.6 | 0 | 0 | 0 | 111.4 | G172 N173 E204 E205 K206 | G172-N202 WeakPolarHBondContact O-CA 3.4Å; G172-N202 WeakPolarHBondContact O-CB 3.33Å; N173-N202 VanDerWaalsContact OD1-CB 3.3Å; N173-N202 WeakPolarHBondContact OD1-CB 3.29Å; N173-N202 PolarHBondContact OD1-ND2 3.22Å; N202-E204 PolarHBondContact O-N 2.89Å; N202-E204 VanDerWaalsContact O-N 3.15Å; N202-E204 WeakPolarHBondContact OD1-CA 3.29Å; N202-E204 WeakPolarHBondContact OD1-CB 3.21Å; N202-E204 PolarHBondContact OD1-N 3.32Å; N202-E205 PolarHBondContact O-N 3.34Å; N202-E205 PolarHBondContact OD1-N 3.19Å; N202-K206 PolarHBondContact N-O 3.02Å; N202-K206 PolarHBondContact OD1-N 2.98Å; N202-K206 PolarHBondContact OD1-O 3.45Å | ||
| 203 | K | 98.4 | Very high | 96.9 | Very high | 163 Ų | 163 | 68.5 Ų | 68.5 | 71% | 0.709 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -14.3 | 179.5 | -74.2 | -176 | 174.4 | 176.1 | 0 | 114.7 | T170 E171 E205 | T170-K203 WeakPolarHBondContact O-CD 3.2Å; T170-K203 WeakPolarHBondContact O-CE 3.46Å; T170-K203 PolarHBondContact O-NZ 3.17Å; E171-K203 WeakPolarHBondContact O-CB 3.34Å; E171-K203 WeakPolarHBondContact O-CG 3.4Å; E171-K203 PolarHBondContact O-N 2.9Å; K203-E205 VanDerWaalsContact C-N 3.29Å |
| 204 | E | 98 | Very high | 96.5 | Very high | 125 Ų | 125 | 68.2 Ų | 68.2 | 58% | 0.584 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 11.5 | 172.4 | -57.3 | -172 | 174.7 | 0 | 0 | 112.5 | N202 K206 | N202-E204 PolarHBondContact O-N 2.89Å; N202-E204 VanDerWaalsContact O-N 3.15Å; N202-E204 WeakPolarHBondContact OD1-CA 3.29Å; N202-E204 WeakPolarHBondContact OD1-CB 3.21Å; N202-E204 PolarHBondContact OD1-N 3.32Å; E204-K206 HydrophobicContact CB-CD 4.21Å; E204-K206 HydrophobicContact CB-CG 4.27Å; E204-K206 PolarHBondContact O-N 3.33Å; E204-K206 WeakPolarHBondContact OE2-CE 3.32Å; E204-K206 IonicContact OE2-NZ 3.64Å; E204-K206 PolarHBondContact OE2-NZ 2.86Å |
| 205 | E | 98.1 | Very high | 96.3 | Very high | 151 Ų | 151 | 65 Ų | 65 | 71% | 0.706 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 59.6 | 29.5 | -176.9 | -54.8 | 177.3 | 170.4 | 0 | 0 | 112.3 | N202 K203 | N202-E205 PolarHBondContact O-N 3.34Å; N202-E205 PolarHBondContact OD1-N 3.19Å; K203-E205 VanDerWaalsContact C-N 3.29Å |
| 206 | K | 98.3 | Very high | 96.3 | Very high | 87 Ų | 87 | 63 Ų | 63 | 38% | 0.378 | 33% | 0.33 | S | S | . | . | trans | -107.4 | 129.8 | 177.6 | -65.5 | 174.3 | -175 | 161.7 | 0 | 110.4 | H177 E201 N202 E204 Q210 V211 | H177-K206 PolarHBondContact NE2-O 3.36Å; E201-K206 WeakPolarHBondContact CA-O 3.08Å; N202-K206 PolarHBondContact N-O 3.02Å; N202-K206 PolarHBondContact OD1-N 2.98Å; N202-K206 PolarHBondContact OD1-O 3.45Å; E204-K206 HydrophobicContact CB-CD 4.21Å; E204-K206 HydrophobicContact CB-CG 4.27Å; E204-K206 PolarHBondContact O-N 3.33Å; E204-K206 WeakPolarHBondContact OE2-CE 3.32Å; E204-K206 IonicContact OE2-NZ 3.64Å; E204-K206 PolarHBondContact OE2-NZ 2.86Å; K206-Q210 HydrophobicContact CB-CB 4.29Å; K206-V211 HydrophobicContact CB-CG2 3.84Å; K206-V211 HydrophobicContact CD-CG2 4.32Å | ||
| 207 | T | 98.3 | Very high | 96.1 | Very high | 20 Ų | 20 | 63.3 Ų | 63.3 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | trans | -76.1 | 163.3 | 166.8 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | I198 I200 E201 L209 Q210 V211 | I198-T207 WeakPolarHBondContact O-CB 3.42Å; I200-T207 WeakPolarHBondContact O-CA 3.38Å; E201-T207 HydrophobicContact CG-CG2 3.81Å; T207-L209 PolarHBondContact O-N 3.4Å; T207-L209 VanDerWaalsContact O-N 3.09Å; T207-Q210 PolarHBondContact O-N 2.89Å; T207-Q210 PolarHBondContact OG1-N 3.34Å; T207-Q210 PolarHBondContact OG1-OE1 3.35Å; T207-V211 PolarHBondContact O-N 3.45Å; T207-V211 VanDerWaalsContact O-N 3.11Å | ||
| 208 | P | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.3 | -29 | 174.6 | -21.8 | 29.7 | 0 | 0 | 0 | 113.3 | L176 H177 C180 I200 A212 | L176-P208 HydrophobicContact CB-CB 4.39Å; L176-P208 HydrophobicContact CB-CG 4.33Å; L176-P208 HydrophobicContact CD2-CB 3.94Å; L176-P208 HydrophobicContact CD2-CG 3.98Å; L176-P208 HydrophobicContact CG-CB 3.76Å; L176-P208 HydrophobicContact CG-CG 4.09Å; H177-P208 VanDerWaalsContact CE1-CD 3.49Å; H177-P208 WeakPolarHBondContact CE1-CD 3.37Å; H177-P208 WeakPolarHBondContact NE2-CD 3.49Å; C180-P208 WeakPolarHBondContact CB-O 3.5Å; C180-P208 PolarHBondContact SG-O 3.04Å; C180-P208 VanDerWaalsContact SG-O 3.36Å; I200-P208 WeakPolarHBondContact O-CD 3.45Å; P208-A212 WeakPolarHBondContact O-CB 3.48Å; P208-A212 PolarHBondContact O-N 2.76Å |
| 209 | L | 96.6 | Very high | 95.7 | Very high | 39 Ų | 39 | 71.4 Ų | 71.4 | 20% | 0.204 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.6 | -35.4 | 177.6 | -59.5 | -173.2 | 0 | 0 | 0 | 112.6 | I198 T207 G217 L220 K221 | I198-L209 HydrophobicContact CB-CD1 4.26Å; I198-L209 HydrophobicContact CB-CD2 4.11Å; I198-L209 HydrophobicContact CB-CG 4.02Å; I198-L209 HydrophobicContact CD1-CD1 3.93Å; I198-L209 HydrophobicContact CG2-CD2 4.07Å; T207-L209 PolarHBondContact O-N 3.4Å; T207-L209 VanDerWaalsContact O-N 3.09Å; L209-G217 WeakPolarHBondContact CD2-O 3.33Å; L209-L220 HydrophobicContact CD2-CB 3.74Å; L209-L220 HydrophobicContact CD2-CD1 4.38Å; L209-K221 HydrophobicContact CD1-CB 4.11Å; L209-K221 HydrophobicContact CD1-CG 4.47Å |
| 210 | Q | 96.6 | Very high | 95.5 | Very high | 123 Ų | 123 | 64.4 Ų | 64.4 | 58% | 0.575 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -77.9 | -28.3 | 177.8 | -72.3 | 160.3 | -47.8 | 0 | 0 | 112 | K206 T207 | K206-Q210 HydrophobicContact CB-CB 4.29Å; T207-Q210 PolarHBondContact O-N 2.89Å; T207-Q210 PolarHBondContact OG1-N 3.34Å; T207-Q210 PolarHBondContact OG1-OE1 3.35Å |
| 211 | V | 96.4 | Very high | 95.3 | Very high | 25 Ų | 25 | 67.1 Ų | 67.1 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -76.2 | -30.9 | 173.2 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | D181 K206 T207 K213 | D181-V211 HydrophobicContact CB-CG1 3.64Å; K206-V211 HydrophobicContact CB-CG2 3.84Å; K206-V211 HydrophobicContact CD-CG2 4.32Å; T207-V211 PolarHBondContact O-N 3.45Å; T207-V211 VanDerWaalsContact O-N 3.11Å; V211-K213 PolarHBondContact O-N 3.13Å |
| 212 | A | 95.4 | Very high | 95.1 | Very high | 16 Ų | 16 | 71.2 Ų | 71.2 | 13% | 0.132 | 37% | 0.366 | C | S | . | . | trans | -57.6 | 128.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C180 P208 L216 | C180-A212 HydrophobicContact CB-CB 3.86Å; P208-A212 WeakPolarHBondContact O-CB 3.48Å; P208-A212 PolarHBondContact O-N 2.76Å; A212-L216 HydrophobicContact CB-CB 4.18Å; A212-L216 HydrophobicContact CB-CG 4.31Å | ||
| 213 | K | 89.4 | Confident | 94.9 | Very high | 91 Ų | 91 | 72.7 Ų | 72.7 | 40% | 0.396 | 37% | 0.373 | S | S | . | . | trans | -84.2 | 151.8 | 176.7 | -64.8 | 168.8 | -173.1 | 149 | 0 | 111.1 | D181 E183 V211 L216 | D181-K213 WeakPolarHBondContact O-CE 3.36Å; D181-K213 PolarHBondContact O-NZ 3.48Å; D181-K213 WeakPolarHBondContact OD1-CE 3.48Å; D181-K213 IonicContact OD1-NZ 2.74Å; D181-K213 PolarHBondContact OD1-NZ 2.9Å; E183-K213 HydrophobicContact CG-CB 3.94Å; E183-K213 HydrophobicContact CG-CD 4.22Å; V211-K213 PolarHBondContact O-N 3.13Å; K213-L216 PolarHBondContact O-N 3.42Å | ||
| 214 | G | 88.7 | Confident | 94.6 | Very high | 79 Ų | 79 | 67.7 Ų | 67.7 | 81% | 0.814 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | -134.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 215 | G | 90.8 | Very high | 94.1 | Very high | 43 Ų | 43 | 67.9 Ų | 67.9 | 44% | 0.443 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 0.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G217 L218 I219 | G215-G217 PolarHBondContact O-N 3.4Å; G215-L218 PolarHBondContact O-N 3Å; G215-I219 WeakPolarHBondContact O-CG1 3.36Å; G215-I219 PolarHBondContact O-N 2.94Å |
| 216 | L | 94 | Very high | 93 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | -171.4 | 178.7 | 57.9 | 0 | 0 | 0 | 112.3 | V185 A188 A212 K213 L218 I219 L220 | V185-L216 HydrophobicContact CB-CD1 4.37Å; V185-L216 HydrophobicContact CG1-CD1 4.15Å; V185-L216 HydrophobicContact CG2-CD1 4.24Å; A188-L216 HydrophobicContact CB-CD1 4.43Å; A188-L216 HydrophobicContact CB-CD2 4.32Å; A212-L216 HydrophobicContact CB-CB 4.18Å; A212-L216 HydrophobicContact CB-CG 4.31Å; K213-L216 PolarHBondContact O-N 3.42Å; L216-L218 VanDerWaalsContact C-N 3.28Å; L216-L218 PolarHBondContact O-N 2.96Å; L216-I219 WeakPolarHBondContact O-CB 3.46Å; L216-I219 PolarHBondContact O-N 3.39Å; L216-L220 HydrophobicContact CD1-CD1 4.32Å; L216-L220 HydrophobicContact CD1-CD2 4.15Å; L216-L220 HydrophobicContact CD1-CG 4Å; L216-L220 HydrophobicContact CG-CD1 4.18Å; L216-L220 HydrophobicContact CG-CG 4.29Å; L216-L220 WeakPolarHBondContact O-CG 3.42Å; L216-L220 PolarHBondContact O-N 3.39Å |
| 217 | G | 92.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 66.5 Ų | 66.5 | 11% | 0.113 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.7 | -39.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L209 G215 L220 K221 | L209-G217 WeakPolarHBondContact CD2-O 3.33Å; G215-G217 PolarHBondContact O-N 3.4Å; G217-L220 PolarHBondContact O-N 2.92Å; G217-K221 VanDerWaalsContact O-CB 3.32Å; G217-K221 WeakPolarHBondContact O-CB 3.4Å; G217-K221 PolarHBondContact O-N 2.75Å |
| 218 | L | 93.1 | Very high | 92.4 | Very high | 134 Ų | 134 | 68.9 Ų | 68.9 | 70% | 0.702 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.5 | -37.5 | 176.5 | -66.3 | 176.3 | 0 | 0 | 0 | 112.3 | G215 L216 R222 | G215-L218 PolarHBondContact O-N 3Å; L216-L218 VanDerWaalsContact C-N 3.28Å; L216-L218 PolarHBondContact O-N 2.96Å; L218-R222 WeakPolarHBondContact O-CB 3.47Å; L218-R222 PolarHBondContact O-N 2.99Å; L218-R222 VanDerWaalsContact O-N 3.08Å |
| 219 | I | 93.9 | Very high | 92.1 | Very high | 73 Ų | 73 | 72.8 Ų | 72.8 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.8 | -49 | 176.7 | -64.1 | 168.1 | 0 | 0 | 0 | 109.9 | K189 G215 L216 R222 I223 | K189-I219 HydrophobicContact CG-CG2 4.49Å; G215-I219 WeakPolarHBondContact O-CG1 3.36Å; G215-I219 PolarHBondContact O-N 2.94Å; L216-I219 WeakPolarHBondContact O-CB 3.46Å; L216-I219 PolarHBondContact O-N 3.39Å; I219-R222 PolarHBondContact O-N 3.36Å; I219-I223 HydrophobicContact CG2-CD1 4.21Å; I219-I223 WeakPolarHBondContact O-CG1 3.28Å; I219-I223 PolarHBondContact O-N 3.45Å; I219-I223 VanDerWaalsContact O-N 3.17Å |
| 220 | L | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65 | -42.1 | -178.8 | -61.8 | -178.9 | 0 | 0 | 0 | 111.8 | L176 C180 A188 K189 V192 L209 L216 G217 R222 I223 V224 | L176-L220 HydrophobicContact CD1-CD1 4.26Å; C180-L220 WeakPolarHBondContact SG-CD1 3.46Å; A188-L220 HydrophobicContact CB-CD1 4.07Å; A188-L220 HydrophobicContact CB-CD2 4.01Å; K189-L220 HydrophobicContact CG-CD2 4.23Å; V192-L220 HydrophobicContact CG2-CB 4.41Å; V192-L220 HydrophobicContact CG2-CD1 4.46Å; V192-L220 HydrophobicContact CG2-CD2 3.98Å; V192-L220 HydrophobicContact CG2-CG 4.49Å; L209-L220 HydrophobicContact CD2-CB 3.74Å; L209-L220 HydrophobicContact CD2-CD1 4.38Å; L216-L220 HydrophobicContact CD1-CD1 4.32Å; L216-L220 HydrophobicContact CD1-CD2 4.15Å; L216-L220 HydrophobicContact CD1-CG 4Å; L216-L220 HydrophobicContact CG-CD1 4.18Å; L216-L220 HydrophobicContact CG-CG 4.29Å; L216-L220 WeakPolarHBondContact O-CG 3.42Å; L216-L220 PolarHBondContact O-N 3.39Å; G217-L220 PolarHBondContact O-N 2.92Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 2.87Å; L220-I223 HydrophobicContact CD2-CD1 4.49Å; L220-I223 PolarHBondContact O-N 3.05Å; L220-I223 VanDerWaalsContact O-N 3.15Å; L220-V224 PolarHBondContact O-N 3.34Å |
| 221 | K | 93.9 | Very high | 91.6 | Very high | 94 Ų | 94 | 71.8 Ų | 71.8 | 41% | 0.409 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.6 | -44.3 | 174.9 | -175.5 | 173.3 | 178.4 | 176.5 | 0 | 111.6 | L209 G217 I223 V224 E225 | L209-K221 HydrophobicContact CD1-CB 4.11Å; L209-K221 HydrophobicContact CD1-CG 4.47Å; G217-K221 VanDerWaalsContact O-CB 3.32Å; G217-K221 WeakPolarHBondContact O-CB 3.4Å; G217-K221 PolarHBondContact O-N 2.75Å; K221-I223 VanDerWaalsContact C-N 3.3Å; K221-I223 PolarHBondContact O-N 3Å; K221-V224 PolarHBondContact O-N 2.98Å; K221-E225 WeakPolarHBondContact CE-OE1 3.3Å; K221-E225 HydrophobicContact CG-CG 4.45Å; K221-E225 IonicContact NZ-OE1 2.69Å; K221-E225 WeakPolarHBondContact O-CG 3.35Å; K221-E225 PolarHBondContact O-N 2.74Å; K221-E225 VanDerWaalsContact O-N 3.11Å |
| 222 | R | 94 | Very high | 91.2 | Very high | 196 Ų | 196 | 74.9 Ų | 74.9 | 74% | 0.74 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.5 | -34.3 | 177.7 | -173.2 | 175.4 | -178.8 | -179.8 | 0.9 | 113.1 | L218 I219 L220 S226 | L218-R222 WeakPolarHBondContact O-CB 3.47Å; L218-R222 PolarHBondContact O-N 2.99Å; L218-R222 VanDerWaalsContact O-N 3.08Å; I219-R222 PolarHBondContact O-N 3.36Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 2.87Å; R222-S226 VanDerWaalsContact O-CB 3.31Å; R222-S226 WeakPolarHBondContact O-CB 3.36Å; R222-S226 PolarHBondContact O-N 3.2Å; R222-S226 PolarHBondContact O-OG 3.17Å |
| 223 | I | 92.9 | Very high | 90.9 | Very high | 48 Ų | 48 | 79.1 Ų | 79.1 | 25% | 0.246 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.9 | -35.8 | 177.9 | -68.2 | 167.2 | 0 | 0 | 0 | 111.5 | K189 V192 T193 I219 L220 K221 S226 | K189-I223 HydrophobicContact CB-CD1 4.17Å; K189-I223 HydrophobicContact CG-CD1 3.74Å; V192-I223 HydrophobicContact CG1-CB 4.29Å; V192-I223 HydrophobicContact CG1-CG2 3.8Å; T193-I223 HydrophobicContact CG2-CG2 3.91Å; I219-I223 HydrophobicContact CG2-CD1 4.21Å; I219-I223 WeakPolarHBondContact O-CG1 3.28Å; I219-I223 PolarHBondContact O-N 3.45Å; I219-I223 VanDerWaalsContact O-N 3.17Å; L220-I223 HydrophobicContact CD2-CD1 4.49Å; L220-I223 PolarHBondContact O-N 3.05Å; L220-I223 VanDerWaalsContact O-N 3.15Å; K221-I223 VanDerWaalsContact C-N 3.3Å; K221-I223 PolarHBondContact O-N 3Å; I223-S226 PolarHBondContact O-OG 2.85Å; I223-S226 VanDerWaalsContact O-OG 3.12Å |
| 224 | V | 91.9 | Very high | 91.1 | Very high | 59 Ų | 59 | 78.2 Ų | 78.2 | 36% | 0.358 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -77.8 | -32.3 | -179.9 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | V192 I198 L220 K221 | V192-V224 HydrophobicContact CG1-CG2 3.4Å; V192-V224 VanDerWaalsContact CG1-CG2 3.4Å; I198-V224 HydrophobicContact CD1-CB 3.82Å; I198-V224 HydrophobicContact CD1-CG1 3.95Å; I198-V224 HydrophobicContact CD1-CG2 3.7Å; I198-V224 HydrophobicContact CG1-CG1 4.41Å; I198-V224 HydrophobicContact CG1-CG2 4.02Å; I198-V224 HydrophobicContact CG2-CG2 4.01Å; L220-V224 PolarHBondContact O-N 3.34Å; K221-V224 PolarHBondContact O-N 2.98Å |
| 225 | E | 87.4 | Confident | 91.3 | Very high | 129 Ų | 129 | 78.1 Ų | 78.1 | 60% | 0.603 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -86.6 | -8.1 | -177.7 | -67 | 175.3 | 167.7 | 0 | 0 | 113.9 | K221 | K221-E225 WeakPolarHBondContact CE-OE1 3.3Å; K221-E225 HydrophobicContact CG-CG 4.45Å; K221-E225 IonicContact NZ-OE1 2.69Å; K221-E225 WeakPolarHBondContact O-CG 3.35Å; K221-E225 PolarHBondContact O-N 2.74Å; K221-E225 VanDerWaalsContact O-N 3.11Å |
| 226 | S | 75.6 | Confident | 91.3 | Very high | 142 Ų | 142 | 81.3 Ų | 81.3 | 99% | 0.993 | 42% | 0.416 | S | S | * | . | trans | -93.8 | 0 | 179.3 | 64.2 | 0 | 0 | 0 | 0 | 113 | R222 I223 | R222-S226 VanDerWaalsContact O-CB 3.31Å; R222-S226 WeakPolarHBondContact O-CB 3.36Å; R222-S226 PolarHBondContact O-N 3.2Å; R222-S226 PolarHBondContact O-OG 3.17Å; I223-S226 PolarHBondContact O-OG 2.85Å; I223-S226 VanDerWaalsContact O-OG 3.12Å |
Retrieved 226 of 226 residues in 49 ms
(Link to these results)