| 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 | 35.7 | Very low | 73.6 | Confident | 234 Ų | 234 | 95.9 Ų | 95.9 | 100% | 1.153 | 48% | 0.478 | S | S | * | . | 0 | 119.3 | 0 | -72.7 | -175.4 | 178.2 | 0 | 0 | 109.1 | K3 | M1-K3 PolarHBondContact O-N 3.16Å; M1-K3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | N | 38.6 | Very low | 75.4 | Confident | 165 Ų | 165 | 88.8 Ų | 88.8 | 88% | 0.882 | 44% | 0.442 | S | S | * | . | trans | -75.1 | 104.4 | 179.6 | -67.4 | 6.8 | 0 | 0 | 0 | 109.9 | K4 | N2-K4 PolarHBondContact O-N 3.36Š| ||
| 3 | K | 50.4 | Low | 76.7 | Confident | 193 Ų | 193 | 82.4 Ų | 82.4 | 84% | 0.839 | 41% | 0.411 | S | S | * | . | trans | -67.5 | 97.2 | 170.3 | -69.3 | 177.7 | -179.6 | 173.4 | 0 | 107.9 | M1 C5 | M1-K3 PolarHBondContact O-N 3.16Å; M1-K3 VanDerWaalsContact O-N 3.13Å; K3-C5 PolarHBondContact O-N 2.94Å | ||
| 4 | K | 67.2 | Low | 77.6 | Confident | 179 Ų | 179 | 80.1 Ų | 80.1 | 78% | 0.778 | 40% | 0.401 | S | S | * | . | trans | -58.5 | 107.8 | 173.3 | -69.1 | -172.1 | 176.5 | -172.1 | 0 | 109.4 | N2 P24 | N2-K4 PolarHBondContact O-N 3.36Å; K4-P24 WeakPolarHBondContact O-CD 3.18Å; K4-P24 WeakPolarHBondContact O-CG 3.37Å | ||
| 5 | C | 78.2 | Confident | 78.2 | Confident | 72 Ų | 72 | 80.5 Ų | 80.5 | 49% | 0.486 | 41% | 0.414 | S | S | . | . | trans | -70.1 | 166.7 | 168.2 | -64 | 0 | 0 | 0 | 0 | 110.8 | K3 L22 | K3-C5 PolarHBondContact O-N 2.94Å; C5-L22 CarbonylContact C-O 3.59Å; C5-L22 WeakPolarHBondContact CA-O 3.31Å | ||
| 6 | I | 83.6 | Confident | 79 | Confident | 32 Ų | 32 | 77.6 Ų | 77.6 | 16% | 0.164 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.8 | 165 | -61.4 | -177.2 | 0 | 0 | 0 | 107.1 | V8 L22 P24 N68 F77 | I6-V8 HydrophobicContact CG2-CG2 4.07Å; I6-L22 PolarHBondContact N-O 2.83Å; I6-L22 PolarHBondContact O-N 3.26Å; I6-P24 HydrophobicContact CD1-CB 3.7Å; I6-P24 HydrophobicContact CG1-CB 3.84Å; I6-N68 HydrophobicContact CD1-CB 4.1Å; I6-F77 HydrophobicContact CD1-CE1 4.38Å; I6-F77 HydrophobicContact CD1-CE2 4.28Å; I6-F77 HydrophobicContact CD1-CZ 3.91Å; I6-F77 HydrophobicContact CG2-CB 4.42Å; I6-F77 HydrophobicContact CG2-CD1 4.11Å; I6-F77 HydrophobicContact CG2-CD2 3.37Å; I6-F77 HydrophobicContact CG2-CE1 4.24Å; I6-F77 HydrophobicContact CG2-CE2 3.52Å; I6-F77 HydrophobicContact CG2-CG 3.71Å; I6-F77 HydrophobicContact CG2-CZ 3.96Å |
| 7 | D | 86 | Confident | 79.7 | Confident | 92 Ų | 92 | 77.7 Ų | 77.7 | 49% | 0.492 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 121.5 | 174.2 | -64.1 | -11 | 0 | 0 | 0 | 108.5 | H21 | D7-H21 IonicContact OD1-CE1 3.5Å; D7-H21 IonicContact OD1-CG 3.08Å; D7-H21 IonicContact OD1-ND1 2.71Å; D7-H21 PolarHBondContact OD1-ND1 2.99Å |
| 8 | V | 89.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 108.1 | -174.3 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | I6 V10 C19 F20 L22 L31 F77 Y79 | I6-V8 HydrophobicContact CG2-CG2 4.07Å; V8-V10 HydrophobicContact CG1-CG2 4.45Å; V8-C19 CarbonylContact O-C 3.58Å; V8-C19 WeakPolarHBondContact O-CA 3.32Å; V8-F20 PolarHBondContact N-O 2.82Å; V8-F20 PolarHBondContact O-N 2.88Å; V8-L22 HydrophobicContact CG2-CD1 4.22Å; V8-L31 HydrophobicContact CB-CD1 4.17Å; V8-L31 HydrophobicContact CG1-CD1 3.69Å; V8-L31 HydrophobicContact CG1-CD2 3.77Å; V8-L31 HydrophobicContact CG1-CG 4.39Å; V8-F77 HydrophobicContact CB-CB 4.24Å; V8-F77 HydrophobicContact CG1-CB 4.15Å; V8-F77 WeakPolarHBondContact CG1-O 3.28Å; V8-F77 HydrophobicContact CG2-CB 3.98Å; V8-F77 HydrophobicContact CG2-CG 4.47Å; V8-Y79 HydrophobicContact CG1-CD2 3.72Å; V8-Y79 HydrophobicContact CG1-CE2 3.95Å |
| 9 | D | 92 | Very high | 81 | Confident | 33 Ų | 33 | 78.6 Ų | 78.6 | 18% | 0.176 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 124.5 | 177.6 | -69.6 | -41.6 | 0 | 0 | 0 | 110.1 | T17 F77 L78 Y79 | D9-T17 HydrophobicContact CB-CG2 4Å; D9-F77 PolarHBondContact N-O 3.13Å; D9-L78 HydrophobicContact CB-CD1 3.58Å; D9-L78 CarbonylContact O-C 3.58Å; D9-L78 WeakPolarHBondContact O-CA 3.48Å; D9-Y79 PolarHBondContact O-N 3.01Å |
| 10 | V | 93.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 118.4 | 174.3 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | V8 L12 T17 R18 F20 L31 V35 L49 Y79 F81 | V8-V10 HydrophobicContact CG1-CG2 4.45Å; V10-L12 HydrophobicContact CG1-CD2 4.13Å; V10-T17 WeakPolarHBondContact O-CA 3.44Å; V10-R18 PolarHBondContact N-O 3.28Å; V10-R18 PolarHBondContact O-N 3.35Å; V10-F20 HydrophobicContact CB-CD2 4.21Å; V10-F20 HydrophobicContact CB-CE2 3.97Å; V10-F20 HydrophobicContact CG2-CD2 3.73Å; V10-F20 HydrophobicContact CG2-CE2 3.91Å; V10-L31 HydrophobicContact CG2-CD1 4.13Å; V10-V35 HydrophobicContact CB-CG2 4.44Å; V10-V35 HydrophobicContact CG1-CG2 4.2Å; V10-V35 HydrophobicContact CG2-CG2 3.97Å; V10-L49 HydrophobicContact CG1-CD2 3.59Å; V10-L49 HydrophobicContact CG2-CD2 4.42Å; V10-Y79 CarbonylContact C-O 3.57Å; V10-Y79 WeakPolarHBondContact CA-O 3.24Å; V10-F81 HydrophobicContact CG1-CB 4.27Å |
| 11 | I | 94.8 | Very high | 82 | Confident | 55 Ų | 55 | 77.5 Ų | 77.5 | 28% | 0.282 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 122.4 | 169.9 | -57.5 | 173.1 | 0 | 0 | 0 | 108.2 | S16 L78 Y79 S80 F81 | I11-S16 WeakPolarHBondContact CA-O 3.38Å; I11-L78 HydrophobicContact CD1-CD1 3.98Å; I11-L78 HydrophobicContact CD1-CD2 4.24Å; I11-L78 HydrophobicContact CD1-CG 4.31Å; I11-L78 HydrophobicContact CG1-CD1 3.91Å; I11-Y79 PolarHBondContact N-O 2.91Å; I11-S80 WeakPolarHBondContact O-CA 3.43Å; I11-F81 PolarHBondContact O-N 3.17Å |
| 12 | L | 94.9 | Very high | 84.5 | Confident | 10 Ų | 10 | 66.4 Ų | 66.4 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | trans | -89.5 | 165.8 | 177.1 | -61.7 | 179.6 | 0 | 0 | 0 | 111.4 | V10 D14 S15 S16 R18 V35 L39 F81 | V10-L12 HydrophobicContact CG1-CD2 4.13Å; L12-D14 WeakPolarHBondContact CB-OD1 3.21Å; L12-D14 PolarHBondContact O-N 3.45Å; L12-S15 WeakPolarHBondContact O-CA 3.22Å; L12-S15 PolarHBondContact O-N 3.25Å; L12-S16 PolarHBondContact N-O 2.83Å; L12-R18 HydrophobicContact CD1-CG 3.71Å; L12-R18 HydrophobicContact CG-CG 4.43Å; L12-V35 HydrophobicContact CD2-CG1 4.31Å; L12-L39 HydrophobicContact CD1-CD2 4.16Å; L12-L39 HydrophobicContact CD2-CD1 4.33Å; L12-L39 HydrophobicContact CD2-CD2 4.4Å; L12-F81 HydrophobicContact CD2-CB 4.07Å; L12-F81 HydrophobicContact CD2-CG 4.42Å | ||
| 13 | L | 93.1 | Very high | 86.7 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.6 | -175.9 | -73.8 | 166.9 | 0 | 0 | 0 | 113.9 | S15 F47 F81 L101 L104 Q105 I108 | L13-S15 PolarHBondContact O-N 2.87Å; L13-F47 HydrophobicContact CD1-CD1 4.07Å; L13-F47 HydrophobicContact CD1-CE1 3.86Å; L13-F81 HydrophobicContact CD1-CD1 3.86Å; L13-F81 HydrophobicContact CD1-CE1 4.01Å; L13-F81 WeakPolarHBondContact CD2-O 3.34Å; L13-F81 HydrophobicContact CG-CD1 4.05Å; L13-F81 WeakPolarHBondContact CG-O 3.46Å; L13-L101 HydrophobicContact CB-CD2 4.31Å; L13-L101 HydrophobicContact CD1-CB 4.02Å; L13-L101 HydrophobicContact CD1-CD2 4.12Å; L13-L104 HydrophobicContact CB-CB 3.96Å; L13-L104 HydrophobicContact CB-CD1 4.17Å; L13-Q105 HydrophobicContact CD2-CB 4.24Å; L13-I108 HydrophobicContact CD2-CD1 3.73Å |
| 14 | D | 88.6 | Confident | 88 | Confident | 51 Ų | 51 | 55 Ų | 55 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 4.5 | 172 | 74 | -22.6 | 0 | 0 | 0 | 113.3 | L12 S16 L104 S329 | L12-D14 WeakPolarHBondContact CB-OD1 3.21Å; L12-D14 PolarHBondContact O-N 3.45Å; D14-S16 PolarHBondContact O-N 2.96Å; D14-S16 VanDerWaalsContact OD1-CB 3.24Å; D14-S16 WeakPolarHBondContact OD1-CB 3.39Å; D14-S16 PolarHBondContact OD1-N 2.83Å; D14-S16 PolarHBondContact OD1-OG 3.44Å; D14-S16 PolarHBondContact OD2-OG 3.28Å; D14-L104 HydrophobicContact CB-CD1 4.08Å; D14-S329 VanDerWaalsContact OD2-CB 3.29Å; D14-S329 WeakPolarHBondContact OD2-CB 3.23Å; D14-S329 PolarHBondContact OD2-OG 3.17Å |
| 15 | S | 87.4 | Confident | 88.8 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 59% | 0.594 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 68.1 | 9.6 | -172 | -47.1 | 0 | 0 | 0 | 0 | 115.6 | L12 L13 | L12-S15 WeakPolarHBondContact O-CA 3.22Å; L12-S15 PolarHBondContact O-N 3.25Å; L13-S15 PolarHBondContact O-N 2.87Å |
| 16 | S | 90.8 | Very high | 89.2 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 25% | 0.245 | 28% | 0.279 | C | S | . | . | trans | -74.3 | 151.2 | 167.5 | 71.9 | 0 | 0 | 0 | 0 | 111 | I11 L12 D14 | I11-S16 WeakPolarHBondContact CA-O 3.38Å; L12-S16 PolarHBondContact N-O 2.83Å; D14-S16 PolarHBondContact O-N 2.96Å; D14-S16 VanDerWaalsContact OD1-CB 3.24Å; D14-S16 WeakPolarHBondContact OD1-CB 3.39Å; D14-S16 PolarHBondContact OD1-N 2.83Å; D14-S16 PolarHBondContact OD1-OG 3.44Å; D14-S16 PolarHBondContact OD2-OG 3.28Å | ||
| 17 | T | 91.6 | Very high | 89.5 | Confident | 79 Ų | 79 | 54.2 Ų | 54.2 | 49% | 0.485 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.6 | 174.1 | -55.1 | 0 | 0 | 0 | 0 | 109.6 | D9 V10 | D9-T17 HydrophobicContact CB-CG2 4Å; V10-T17 WeakPolarHBondContact O-CA 3.44Å |
| 18 | R | 91.9 | Very high | 89.6 | Confident | 116 Ų | 116 | 49.9 Ų | 49.9 | 44% | 0.438 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127 | 175.5 | -67.1 | -63.2 | -173.5 | 165.8 | 3.3 | 109.8 | V10 L12 F20 H38 | V10-R18 PolarHBondContact N-O 3.28Å; V10-R18 PolarHBondContact O-N 3.35Å; L12-R18 HydrophobicContact CD1-CG 3.71Å; L12-R18 HydrophobicContact CG-CG 4.43Å; R18-F20 HydrophobicContact CB-CD2 4.43Å; R18-F20 HydrophobicContact CB-CE2 3.63Å; R18-F20 HydrophobicContact CB-CZ 4.12Å; R18-F20 WeakPolarHBondContact O-CD2 3.28Å; R18-H38 VanDerWaalsContact CZ-CE1 3.45Å; R18-H38 PolarHBondContact NE-NE2 2.74Å; R18-H38 VanDerWaalsContact NE-NE2 3.1Å |
| 19 | C | 91.9 | Very high | 89.7 | Confident | 56 Ų | 56 | 54.8 Ų | 54.8 | 38% | 0.378 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 135.7 | 173.8 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | V8 | V8-C19 CarbonylContact O-C 3.58Å; V8-C19 WeakPolarHBondContact O-CA 3.32Å |
| 20 | F | 91.5 | Very high | 89.7 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 7% | 0.07 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.4 | 177.2 | -66.1 | -94.2 | 0 | 0 | 0 | 109.8 | V8 V10 R18 L31 M34 V35 H38 | V8-F20 PolarHBondContact N-O 2.82Å; V8-F20 PolarHBondContact O-N 2.88Å; V10-F20 HydrophobicContact CB-CD2 4.21Å; V10-F20 HydrophobicContact CB-CE2 3.97Å; V10-F20 HydrophobicContact CG2-CD2 3.73Å; V10-F20 HydrophobicContact CG2-CE2 3.91Å; R18-F20 HydrophobicContact CB-CD2 4.43Å; R18-F20 HydrophobicContact CB-CE2 3.63Å; R18-F20 HydrophobicContact CB-CZ 4.12Å; R18-F20 WeakPolarHBondContact O-CD2 3.28Å; F20-L31 HydrophobicContact CB-CD1 4.03Å; F20-L31 HydrophobicContact CD2-CD1 4.44Å; F20-L31 HydrophobicContact CG-CD1 4.28Å; F20-M34 HydrophobicContact CD1-CB 3.76Å; F20-M34 HydrophobicContact CD1-CE 4.2Å; F20-M34 HydrophobicContact CE1-CB 4Å; F20-V35 HydrophobicContact CD2-CG2 4.2Å; F20-V35 HydrophobicContact CE1-CG2 4.2Å; F20-V35 HydrophobicContact CE2-CG2 3.68Å; F20-V35 HydrophobicContact CZ-CB 4.36Å; F20-V35 HydrophobicContact CZ-CG2 3.68Å; F20-H38 HydrophobicContact CE1-CB 4.15Å; F20-H38 HydrophobicContact CZ-CB 4.17Å |
| 21 | H | 90.3 | Very high | 89.6 | Confident | 118 Ų | 118 | 56.3 Ų | 56.3 | 55% | 0.546 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 113.7 | -178.5 | -54.5 | -69.5 | 0 | 0 | 0 | 110.7 | D7 | D7-H21 IonicContact OD1-CE1 3.5Å; D7-H21 IonicContact OD1-CG 3.08Å; D7-H21 IonicContact OD1-ND1 2.71Å; D7-H21 PolarHBondContact OD1-ND1 2.99Å |
| 22 | L | 88.3 | Confident | 89.6 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 146.9 | -171.1 | -82.9 | 158.8 | 0 | 0 | 0 | 113.4 | C5 I6 V8 E30 L31 M34 I67 | C5-L22 CarbonylContact C-O 3.59Å; C5-L22 WeakPolarHBondContact CA-O 3.31Å; I6-L22 PolarHBondContact N-O 2.83Å; I6-L22 PolarHBondContact O-N 3.26Å; V8-L22 HydrophobicContact CG2-CD1 4.22Å; L22-E30 HydrophobicContact CD2-CB 4.35Å; L22-E30 HydrophobicContact CD2-CG 3.89Å; L22-L31 HydrophobicContact CD1-CB 3.65Å; L22-L31 HydrophobicContact CD1-CD1 3.66Å; L22-L31 HydrophobicContact CD1-CG 4.21Å; L22-M34 HydrophobicContact CD1-SD 4.46Å; L22-M34 HydrophobicContact CD2-SD 3.62Å; L22-M34 HydrophobicContact CG-SD 4Å; L22-I67 HydrophobicContact CD1-CD1 3.84Å |
| 23 | P | 86.3 | Confident | 89.5 | Confident | 67 Ų | 67 | 56.2 Ų | 56.2 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | trans | -56.5 | 142.3 | 168.4 | -23.1 | 31.4 | 0 | 0 | 0 | 112.4 | R25 S26 | P23-R25 PolarHBondContact O-N 2.79Å; P23-S26 WeakPolarHBondContact CB-OG 3.42Å; P23-S26 VanDerWaalsContact CD-OG 3.3Å; P23-S26 WeakPolarHBondContact CD-OG 3.17Å; P23-S26 WeakPolarHBondContact O-CB 3.47Å; P23-S26 PolarHBondContact O-N 2.94Å; P23-S26 PolarHBondContact O-OG 2.77Å | ||
| 24 | P | 76.2 | Confident | 89.6 | Confident | 51 Ų | 51 | 59.1 Ų | 59.1 | 33% | 0.331 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -0.8 | -168.1 | 27.4 | -35.1 | 0 | 0 | 0 | 114.3 | K4 I6 N68 | K4-P24 WeakPolarHBondContact O-CD 3.18Å; K4-P24 WeakPolarHBondContact O-CG 3.37Å; I6-P24 HydrophobicContact CD1-CB 3.7Å; I6-P24 HydrophobicContact CG1-CB 3.84Å; P24-N68 WeakPolarHBondContact O-CB 3.33Å; P24-N68 PolarHBondContact O-ND2 2.88Å; P24-N68 PolarHBondContact O-OD1 3.22Å |
| 25 | R | 84 | Confident | 89.8 | Confident | 215 Ų | 215 | 56.7 Ų | 56.7 | 81% | 0.811 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | 4 | 177.5 | -64.9 | -178.3 | 178.3 | 176 | -0.1 | 112.7 | P23 A66 | P23-R25 PolarHBondContact O-N 2.79Å; R25-A66 WeakPolarHBondContact O-CB 3.49Å |
| 26 | S | 87.1 | Confident | 90.1 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | trans | -60.2 | 135.4 | -179 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | P23 E30 A66 I67 | P23-S26 WeakPolarHBondContact CB-OG 3.42Å; P23-S26 VanDerWaalsContact CD-OG 3.3Å; P23-S26 WeakPolarHBondContact CD-OG 3.17Å; P23-S26 WeakPolarHBondContact O-CB 3.47Å; P23-S26 PolarHBondContact O-N 2.94Å; P23-S26 PolarHBondContact O-OG 2.77Å; S26-E30 WeakPolarHBondContact CB-OE2 3.22Å; S26-E30 PolarHBondContact OG-OE1 3.26Å; S26-E30 PolarHBondContact OG-OE2 3.18Å; S26-A66 VanDerWaalsContact O-CA 3.29Å; S26-A66 WeakPolarHBondContact O-CA 3.41Å; S26-I67 WeakPolarHBondContact O-CG1 3.49Å; S26-I67 PolarHBondContact O-N 2.81Å | ||
| 27 | P | 90 | Very high | 90.1 | Very high | 46 Ų | 46 | 58 Ų | 58 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -67.6 | 153.5 | 175.9 | 30.4 | -36.3 | 0 | 0 | 0 | 111.4 | H29 E30 K65 | P27-H29 PolarHBondContact O-N 2.72Å; P27-H29 VanDerWaalsContact O-N 3.08Å; P27-E30 WeakPolarHBondContact CD-OE2 3.22Å; P27-E30 HydrophobicContact CG-CB 4.4Å; P27-E30 WeakPolarHBondContact O-CB 3.37Å; P27-E30 PolarHBondContact O-N 2.93Å; P27-K65 CarbonylContact C-O 3.6Å; P27-K65 WeakPolarHBondContact CA-O 3.47Å |
| 28 | G | 88.6 | Confident | 90 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55 | -29.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E30 L31 Y32 L61 H63 K65 | G28-E30 PolarHBondContact O-N 3.32Å; G28-L31 PolarHBondContact O-N 2.85Å; G28-Y32 PolarHBondContact O-N 3.36Å; G28-L61 WeakPolarHBondContact O-CD2 3.4Å; G28-H63 PolarHBondContact N-O 3.04Å; G28-K65 PolarHBondContact N-O 3.17Å |
| 29 | H | 91.2 | Very high | 89.9 | Confident | 104 Ų | 104 | 54.9 Ų | 54.9 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -53.8 | -36 | 172.2 | 131.7 | -76.3 | 0 | 0 | 0 | 113.2 | P27 Y32 T33 H63 | P27-H29 PolarHBondContact O-N 2.72Å; P27-H29 VanDerWaalsContact O-N 3.08Å; H29-Y32 PolarHBondContact O-N 2.95Å; H29-T33 WeakPolarHBondContact O-CB 3.47Å; H29-T33 PolarHBondContact O-N 2.79Å; H29-T33 PolarHBondContact O-OG1 2.98Å; H29-H63 HydrophobicContact CB-CB 4.15Å; H29-H63 PolarHBondContact N-O 2.84Å; H29-H63 VanDerWaalsContact N-O 3.13Å |
| 30 | E | 91.3 | Very high | 89.7 | Confident | 64 Ų | 64 | 58 Ų | 58 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.8 | -45.7 | -174.9 | -163.8 | 177.2 | 142.7 | 0 | 0 | 110.7 | L22 S26 P27 G28 Y32 T33 M34 | L22-E30 HydrophobicContact CD2-CB 4.35Å; L22-E30 HydrophobicContact CD2-CG 3.89Å; S26-E30 WeakPolarHBondContact CB-OE2 3.22Å; S26-E30 PolarHBondContact OG-OE1 3.26Å; S26-E30 PolarHBondContact OG-OE2 3.18Å; P27-E30 WeakPolarHBondContact CD-OE2 3.22Å; P27-E30 HydrophobicContact CG-CB 4.4Å; P27-E30 WeakPolarHBondContact O-CB 3.37Å; P27-E30 PolarHBondContact O-N 2.93Å; G28-E30 PolarHBondContact O-N 3.32Å; E30-Y32 PolarHBondContact O-N 2.75Å; E30-T33 PolarHBondContact O-N 2.82Å; E30-M34 WeakPolarHBondContact O-CG 3.49Å; E30-M34 PolarHBondContact O-N 2.9Å |
| 31 | L | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.8 | -46.8 | 170.4 | 173.2 | 65.2 | 0 | 0 | 0 | 111.9 | V8 V10 F20 L22 G28 M34 V35 L49 L61 I67 Y79 | V8-L31 HydrophobicContact CB-CD1 4.17Å; V8-L31 HydrophobicContact CG1-CD1 3.69Å; V8-L31 HydrophobicContact CG1-CD2 3.77Å; V8-L31 HydrophobicContact CG1-CG 4.39Å; V10-L31 HydrophobicContact CG2-CD1 4.13Å; F20-L31 HydrophobicContact CB-CD1 4.03Å; F20-L31 HydrophobicContact CD2-CD1 4.44Å; F20-L31 HydrophobicContact CG-CD1 4.28Å; L22-L31 HydrophobicContact CD1-CB 3.65Å; L22-L31 HydrophobicContact CD1-CD1 3.66Å; L22-L31 HydrophobicContact CD1-CG 4.21Å; G28-L31 PolarHBondContact O-N 2.85Å; L31-M34 PolarHBondContact O-N 2.9Å; L31-V35 HydrophobicContact CD1-CG2 4.4Å; L31-V35 WeakPolarHBondContact O-CG2 3.16Å; L31-V35 PolarHBondContact O-N 3.36Å; L31-L49 HydrophobicContact CD2-CD1 3.8Å; L31-L49 HydrophobicContact CG-CD1 3.72Å; L31-L61 HydrophobicContact CD2-CD2 4.27Å; L31-I67 HydrophobicContact CB-CD1 3.73Å; L31-I67 HydrophobicContact CD2-CD1 4.28Å; L31-Y79 HydrophobicContact CD2-CD2 4.13Å; L31-Y79 HydrophobicContact CD2-CE2 4.16Å; L31-Y79 HydrophobicContact CD2-CG 4.49Å |
| 32 | Y | 94.5 | Very high | 89.3 | Confident | 16 Ų | 16 | 53 Ų | 53 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | -178.1 | -178.4 | -104.2 | 0 | 0 | 0 | 111.7 | G28 H29 E30 V35 V36 Y44 F47 L49 H63 F81 | G28-Y32 PolarHBondContact O-N 3.36Å; H29-Y32 PolarHBondContact O-N 2.95Å; E30-Y32 PolarHBondContact O-N 2.75Å; Y32-V35 PolarHBondContact O-N 2.89Å; Y32-V36 HydrophobicContact CD1-CG2 4.27Å; Y32-V36 HydrophobicContact CE1-CG2 3.8Å; Y32-V36 HydrophobicContact CE2-CG2 4.06Å; Y32-V36 WeakPolarHBondContact O-CG2 3.24Å; Y32-V36 PolarHBondContact O-N 2.92Å; Y32-Y44 HydrophobicContact CE1-CD2 4.04Å; Y32-Y44 PolarHBondContact OH-O 2.84Å; Y32-F47 PolarHBondContact OH-O 3.35Å; Y32-L49 HydrophobicContact CD2-CD1 4.28Å; Y32-L49 HydrophobicContact CD2-CG 4.25Å; Y32-H63 AromaticContact CD1-CE1 3.61Å; Y32-H63 AromaticContact CG-CE1 3.76Å; Y32-F81 HydrophobicContact CE2-CE2 4.48Å |
| 33 | T | 93.1 | Very high | 89.4 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 173.4 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | H29 E30 V35 V36 E37 | H29-T33 WeakPolarHBondContact O-CB 3.47Å; H29-T33 PolarHBondContact O-N 2.79Å; H29-T33 PolarHBondContact O-OG1 2.98Å; E30-T33 PolarHBondContact O-N 2.82Å; T33-V35 VanDerWaalsContact C-N 3.31Å; T33-V35 PolarHBondContact O-N 3.44Å; T33-V36 PolarHBondContact O-N 2.54Å; T33-E37 HydrophobicContact CG2-CG 4.17Å; T33-E37 WeakPolarHBondContact CG2-OE1 3.5Å; T33-E37 WeakPolarHBondContact O-CB 3.35Å; T33-E37 WeakPolarHBondContact O-CG 3.19Å; T33-E37 PolarHBondContact O-N 3.24Å |
| 34 | M | 93.7 | Very high | 89.6 | Confident | 67 Ų | 67 | 53.7 Ų | 53.7 | 33% | 0.33 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.4 | -37.6 | 177.6 | -68.3 | 179 | 82.8 | 0 | 0 | 113.2 | F20 L22 E30 L31 H38 | F20-M34 HydrophobicContact CD1-CB 3.76Å; F20-M34 HydrophobicContact CD1-CE 4.2Å; F20-M34 HydrophobicContact CE1-CB 4Å; L22-M34 HydrophobicContact CD1-SD 4.46Å; L22-M34 HydrophobicContact CD2-SD 3.62Å; L22-M34 HydrophobicContact CG-SD 4Å; E30-M34 WeakPolarHBondContact O-CG 3.49Å; E30-M34 PolarHBondContact O-N 2.9Å; L31-M34 PolarHBondContact O-N 2.9Å; M34-H38 VanDerWaalsContact O-CB 3.27Å; M34-H38 WeakPolarHBondContact O-CB 3.11Å; M34-H38 PolarHBondContact O-N 3.33Å |
| 35 | V | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.6 | -42.9 | 175.6 | 173 | 0 | 0 | 0 | 0 | 111.2 | V10 L12 F20 L31 Y32 T33 H38 L39 L49 F81 | V10-V35 HydrophobicContact CB-CG2 4.44Å; V10-V35 HydrophobicContact CG1-CG2 4.2Å; V10-V35 HydrophobicContact CG2-CG2 3.97Å; L12-V35 HydrophobicContact CD2-CG1 4.31Å; F20-V35 HydrophobicContact CD2-CG2 4.2Å; F20-V35 HydrophobicContact CE1-CG2 4.2Å; F20-V35 HydrophobicContact CE2-CG2 3.68Å; F20-V35 HydrophobicContact CZ-CB 4.36Å; F20-V35 HydrophobicContact CZ-CG2 3.68Å; L31-V35 HydrophobicContact CD1-CG2 4.4Å; L31-V35 WeakPolarHBondContact O-CG2 3.16Å; L31-V35 PolarHBondContact O-N 3.36Å; Y32-V35 PolarHBondContact O-N 2.89Å; T33-V35 VanDerWaalsContact C-N 3.31Å; T33-V35 PolarHBondContact O-N 3.44Å; V35-H38 PolarHBondContact O-N 2.83Å; V35-L39 HydrophobicContact CG1-CD1 4.12Å; V35-L39 WeakPolarHBondContact O-CB 3.43Å; V35-L39 WeakPolarHBondContact O-CG 3.32Å; V35-L39 PolarHBondContact O-N 3.19Å; V35-L49 HydrophobicContact CG2-CD1 4.27Å; V35-F81 HydrophobicContact CG1-CD2 3.75Å; V35-F81 HydrophobicContact CG1-CE2 4.09Å; V35-F81 HydrophobicContact CG1-CG 4.4Å |
| 36 | V | 93 | Very high | 91 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 9% | 0.085 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66 | -40.7 | 178.2 | 167 | 0 | 0 | 0 | 0 | 111.9 | Y32 T33 L39 Q40 L41 Y44 | Y32-V36 HydrophobicContact CD1-CG2 4.27Å; Y32-V36 HydrophobicContact CE1-CG2 3.8Å; Y32-V36 HydrophobicContact CE2-CG2 4.06Å; Y32-V36 WeakPolarHBondContact O-CG2 3.24Å; Y32-V36 PolarHBondContact O-N 2.92Å; T33-V36 PolarHBondContact O-N 2.54Å; V36-L39 CarbonylContact O-C 3.55Å; V36-L39 PolarHBondContact O-N 3.18Å; V36-Q40 PolarHBondContact O-N 2.83Å; V36-L41 PolarHBondContact O-N 2.98Å; V36-L41 VanDerWaalsContact O-N 3.1Å; V36-Y44 HydrophobicContact CG1-CD1 3.54Å; V36-Y44 HydrophobicContact CG1-CE1 4.3Å; V36-Y44 HydrophobicContact CG1-CG 3.79Å; V36-Y44 HydrophobicContact CG2-CG 4.19Å |
| 37 | E | 90.3 | Very high | 91.4 | Very high | 132 Ų | 132 | 41.7 Ų | 41.7 | 62% | 0.617 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -67 | -42 | 175.5 | -73 | 174.5 | 169 | 0 | 0 | 111.7 | T33 L39 Q40 | T33-E37 HydrophobicContact CG2-CG 4.17Å; T33-E37 WeakPolarHBondContact CG2-OE1 3.5Å; T33-E37 WeakPolarHBondContact O-CB 3.35Å; T33-E37 WeakPolarHBondContact O-CG 3.19Å; T33-E37 PolarHBondContact O-N 3.24Å; E37-L39 VanDerWaalsContact C-N 3.31Å; E37-L39 PolarHBondContact O-N 2.75Å; E37-Q40 PolarHBondContact O-N 2.65Å |
| 38 | H | 89.7 | Confident | 91.7 | Very high | 101 Ų | 101 | 39.7 Ų | 39.7 | 47% | 0.468 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.3 | -37.7 | 174 | 177.3 | 72.2 | 0 | 0 | 0 | 112.5 | R18 F20 M34 V35 Q40 | R18-H38 VanDerWaalsContact CZ-CE1 3.45Å; R18-H38 PolarHBondContact NE-NE2 2.74Å; R18-H38 VanDerWaalsContact NE-NE2 3.1Å; F20-H38 HydrophobicContact CE1-CB 4.15Å; F20-H38 HydrophobicContact CZ-CB 4.17Å; M34-H38 VanDerWaalsContact O-CB 3.27Å; M34-H38 WeakPolarHBondContact O-CB 3.11Å; M34-H38 PolarHBondContact O-N 3.33Å; V35-H38 PolarHBondContact O-N 2.83Å; H38-Q40 VanDerWaalsContact C-N 3.34Å |
| 39 | L | 89.3 | Confident | 92 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 15% | 0.152 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -10 | 174.3 | -67.7 | 174.3 | 0 | 0 | 0 | 113.7 | L12 V35 V36 E37 L41 F81 L97 | L12-L39 HydrophobicContact CD1-CD2 4.16Å; L12-L39 HydrophobicContact CD2-CD1 4.33Å; L12-L39 HydrophobicContact CD2-CD2 4.4Å; V35-L39 HydrophobicContact CG1-CD1 4.12Å; V35-L39 WeakPolarHBondContact O-CB 3.43Å; V35-L39 WeakPolarHBondContact O-CG 3.32Å; V35-L39 PolarHBondContact O-N 3.19Å; V36-L39 CarbonylContact O-C 3.55Å; V36-L39 PolarHBondContact O-N 3.18Å; E37-L39 VanDerWaalsContact C-N 3.31Å; E37-L39 PolarHBondContact O-N 2.75Å; L39-L41 HydrophobicContact CB-CB 4.04Å; L39-L41 PolarHBondContact O-N 3.37Å; L39-F81 HydrophobicContact CD1-CD1 4.06Å; L39-F81 HydrophobicContact CD1-CD2 4.48Å; L39-F81 HydrophobicContact CD1-CE1 3.62Å; L39-F81 HydrophobicContact CD1-CE2 4.08Å; L39-F81 HydrophobicContact CD1-CG 4.46Å; L39-F81 HydrophobicContact CD1-CZ 3.63Å; L39-L97 WeakPolarHBondContact O-CD2 3.38Å |
| 40 | Q | 88 | Confident | 92 | Very high | 122 Ų | 122 | 35.4 Ų | 35.4 | 57% | 0.57 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 29 | -172.3 | -52.5 | -175.5 | 6.2 | 0 | 0 | 114 | V36 E37 H38 P324 | V36-Q40 PolarHBondContact O-N 2.83Å; E37-Q40 PolarHBondContact O-N 2.65Å; H38-Q40 VanDerWaalsContact C-N 3.34Å; Q40-P324 HydrophobicContact CB-CG 3.99Å; Q40-P324 VanDerWaalsContact OE1-CG 3.26Å |
| 41 | L | 87.9 | Confident | 92 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | trans | -82.9 | 120.5 | -165.1 | -178.2 | 63.3 | 0 | 0 | 0 | 112.8 | V36 L39 Y44 F47 F81 L97 T98 L101 | V36-L41 PolarHBondContact O-N 2.98Å; V36-L41 VanDerWaalsContact O-N 3.1Å; L39-L41 HydrophobicContact CB-CB 4.04Å; L39-L41 PolarHBondContact O-N 3.37Å; L41-Y44 WeakPolarHBondContact O-CD1 3.31Å; L41-F47 HydrophobicContact CD1-CE2 4.45Å; L41-F47 HydrophobicContact CD2-CD2 3.68Å; L41-F47 HydrophobicContact CD2-CE2 3.85Å; L41-F47 HydrophobicContact CD2-CG 4.35Å; L41-F81 HydrophobicContact CD2-CE1 4.5Å; L41-F81 HydrophobicContact CD2-CZ 3.79Å; L41-L97 HydrophobicContact CD1-CD2 4.09Å; L41-L97 HydrophobicContact CD1-CG 4.19Å; L41-T98 VanDerWaalsContact CD1-OG1 3.29Å; L41-T98 WeakPolarHBondContact CD1-OG1 3.49Å; L41-L101 HydrophobicContact CD1-CD1 3.76Å; L41-L101 HydrophobicContact CD2-CD1 4.03Å; L41-L101 HydrophobicContact CG-CD1 4.5Å | ||
| 42 | V | 85.6 | Confident | 91.7 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 15% | 0.145 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -85.3 | -41.7 | -177.7 | -179.1 | 0 | 0 | 0 | 0 | 113 | Y44 R307 F315 M323 | V42-Y44 PolarHBondContact O-N 3.11Å; V42-Y44 VanDerWaalsContact O-N 3.08Å; V42-R307 PolarHBondContact O-NH2 3.34Å; V42-R307 VanDerWaalsContact O-NH2 3.14Å; V42-F315 HydrophobicContact CG1-CE1 4.29Å; V42-M323 HydrophobicContact CB-CE 4.36Å; V42-M323 HydrophobicContact CB-SD 4.09Å; V42-M323 HydrophobicContact CG1-CE 4.22Å; V42-M323 HydrophobicContact CG1-SD 4.46Å; V42-M323 HydrophobicContact CG2-CE 4.49Å; V42-M323 HydrophobicContact CG2-SD 3.68Å |
| 43 | E | 90.2 | Very high | 91 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -83.6 | 34.3 | 179.4 | -48.8 | -154.8 | 51.7 | 0 | 0 | 113.4 | D45 Y46 E94 D95 T98 L312 I316 | E43-D45 VanDerWaalsContact C-N 3.31Å; E43-D45 PolarHBondContact O-N 2.73Å; E43-D45 VanDerWaalsContact O-N 3.11Å; E43-Y46 HydrophobicContact CB-CD2 4Å; E43-Y46 HydrophobicContact CB-CE2 4.12Å; E43-Y46 WeakPolarHBondContact O-CD2 3.44Å; E43-Y46 PolarHBondContact O-N 2.95Å; E43-Y46 WeakPolarHBondContact OE1-CE2 3.49Å; E43-E94 PolarHBondContact OE2-N 2.92Å; E43-D95 HydrophobicContact CG-CB 4.07Å; E43-D95 PolarHBondContact OE2-N 3.37Å; E43-T98 HydrophobicContact CB-CG2 3.79Å; E43-T98 WeakPolarHBondContact CB-OG1 3.29Å; E43-T98 HydrophobicContact CG-CG2 4.23Å; E43-L312 HydrophobicContact CB-CD2 4.35Å; E43-I316 HydrophobicContact CB-CD1 4.49Å; E43-I316 VanDerWaalsContact CD-CD1 3.49Å; E43-I316 HydrophobicContact CG-CD1 3.6Å; E43-I316 HydrophobicContact CG-CG1 4.39Å; E43-I316 VanDerWaalsContact OE1-CD1 3.25Å; E43-I316 WeakPolarHBondContact OE1-CD1 3.49Å |
| 44 | Y | 92.1 | Very high | 90.2 | Very high | 79 Ų | 79 | 45.1 Ų | 45.1 | 31% | 0.31 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -58.9 | -30.5 | -165 | 60.5 | -108.8 | 0 | 0 | 0 | 115.5 | Y32 V36 L41 V42 Y46 F47 | Y32-Y44 HydrophobicContact CE1-CD2 4.04Å; Y32-Y44 PolarHBondContact OH-O 2.84Å; V36-Y44 HydrophobicContact CG1-CD1 3.54Å; V36-Y44 HydrophobicContact CG1-CE1 4.3Å; V36-Y44 HydrophobicContact CG1-CG 3.79Å; V36-Y44 HydrophobicContact CG2-CG 4.19Å; L41-Y44 WeakPolarHBondContact O-CD1 3.31Å; V42-Y44 PolarHBondContact O-N 3.11Å; V42-Y44 VanDerWaalsContact O-N 3.08Å; Y44-Y46 PolarHBondContact O-N 3.19Å; Y44-F47 PolarHBondContact O-N 2.97Å |
| 45 | D | 93.3 | Very high | 89.3 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 6% | 0.064 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -62.5 | -11.5 | -173.6 | -57.2 | -108.8 | 0 | 0 | 0 | 114.5 | E43 F47 F85 F280 R307 L312 | E43-D45 VanDerWaalsContact C-N 3.31Å; E43-D45 PolarHBondContact O-N 2.73Å; E43-D45 VanDerWaalsContact O-N 3.11Å; D45-F47 VanDerWaalsContact C-N 3.3Å; D45-F85 WeakPolarHBondContact O-CD2 3.38Å; D45-F85 WeakPolarHBondContact O-CE2 3.38Å; D45-F280 HydrophobicContact CB-CE2 3.88Å; D45-R307 PolarHBondContact OD1-N 3.41Å; D45-R307 IonicContact OD1-NE 2.8Å; D45-R307 IonicContact OD2-CZ 2.79Å; D45-R307 IonicContact OD2-NE 3.16Å; D45-R307 PolarHBondContact OD2-NE 3.24Å; D45-R307 IonicContact OD2-NH2 3.72Å; D45-R307 PolarHBondContact OD2-NH2 3.16Å; D45-L312 HydrophobicContact CB-CD2 4.35Å |
| 46 | Y | 95.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -71.5 | -21 | 170.4 | -68.8 | -66.6 | 0 | 0 | 0 | 113.9 | E43 Y44 K84 F85 T87 L93 T98 F102 F280 Q309 L312 | E43-Y46 HydrophobicContact CB-CD2 4Å; E43-Y46 HydrophobicContact CB-CE2 4.12Å; E43-Y46 WeakPolarHBondContact O-CD2 3.44Å; E43-Y46 PolarHBondContact O-N 2.95Å; E43-Y46 WeakPolarHBondContact OE1-CE2 3.49Å; Y44-Y46 PolarHBondContact O-N 3.19Å; Y46-K84 PolarHBondContact O-N 3.17Å; Y46-F85 HydrophobicContact CD1-CB 4.32Å; Y46-F85 WeakPolarHBondContact CD1-O 3.23Å; Y46-F85 PolarHBondContact O-N 3.02Å; Y46-T87 HydrophobicContact CE1-CG2 4.41Å; Y46-L93 HydrophobicContact CD2-CD2 4.21Å; Y46-L93 HydrophobicContact CE1-CD2 4.48Å; Y46-L93 HydrophobicContact CE2-CD2 3.38Å; Y46-L93 WeakPolarHBondContact OH-CD2 3.5Å; Y46-T98 HydrophobicContact CD2-CG2 4.49Å; Y46-F102 HydrophobicContact CD1-CZ 4.47Å; Y46-F102 HydrophobicContact CG-CE2 4.21Å; Y46-F102 HydrophobicContact CG-CZ 4.34Å; Y46-F280 AromaticContact CD1-CE1 3.67Å; Y46-F280 HydrophobicContact CD1-CE1 3.67Å; Y46-F280 AromaticContact CD1-CZ 3.58Å; Y46-F280 HydrophobicContact CD1-CZ 3.58Å; Y46-F280 AromaticContact CE1-CE1 3.61Å; Y46-F280 HydrophobicContact CE1-CE1 3.61Å; Y46-F280 AromaticContact CE1-CZ 3.59Å; Y46-F280 HydrophobicContact CE1-CZ 3.59Å; Y46-F280 HydrophobicContact CG-CZ 4.31Å; Y46-Q309 HydrophobicContact CE1-CG 4.22Å; Y46-Q309 PolarHBondContact OH-NE2 3.08Å; Y46-L312 HydrophobicContact CD2-CD2 3.87Å; Y46-L312 HydrophobicContact CE2-CD2 3.51Å |
| 47 | F | 96 | Very high | 87.9 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 160.1 | -173.8 | -52 | -97.4 | 0 | 0 | 0 | 111.1 | L13 Y32 L41 Y44 D45 F81 V82 V83 T98 L101 F102 | L13-F47 HydrophobicContact CD1-CD1 4.07Å; L13-F47 HydrophobicContact CD1-CE1 3.86Å; Y32-F47 PolarHBondContact OH-O 3.35Å; L41-F47 HydrophobicContact CD1-CE2 4.45Å; L41-F47 HydrophobicContact CD2-CD2 3.68Å; L41-F47 HydrophobicContact CD2-CE2 3.85Å; L41-F47 HydrophobicContact CD2-CG 4.35Å; Y44-F47 PolarHBondContact O-N 2.97Å; D45-F47 VanDerWaalsContact C-N 3.3Å; F47-F81 HydrophobicContact CB-CE1 4Å; F47-F81 HydrophobicContact CB-CE2 3.65Å; F47-F81 HydrophobicContact CB-CZ 3.35Å; F47-F81 HydrophobicContact CD1-CD1 4.43Å; F47-F81 AromaticContact CD1-CE1 3.6Å; F47-F81 HydrophobicContact CD1-CE1 3.6Å; F47-F81 AromaticContact CD1-CZ 3.8Å; F47-F81 HydrophobicContact CD1-CZ 3.8Å; F47-F81 HydrophobicContact CD2-CZ 4.22Å; F47-F81 HydrophobicContact CE1-CE1 4.23Å; F47-F81 AromaticContact CG-CE1 3.87Å; F47-F81 HydrophobicContact CG-CE1 3.87Å; F47-F81 HydrophobicContact CG-CE2 4.35Å; F47-F81 AromaticContact CG-CZ 3.54Å; F47-F81 HydrophobicContact CG-CZ 3.54Å; F47-V82 WeakPolarHBondContact CA-O 3.28Å; F47-V83 HydrophobicContact CD1-CG2 3.75Å; F47-V83 HydrophobicContact CE1-CG2 3.52Å; F47-V83 HydrophobicContact CZ-CG2 4.41Å; F47-T98 HydrophobicContact CE2-CG2 4.14Å; F47-T98 HydrophobicContact CZ-CG2 4.34Å; F47-L101 HydrophobicContact CE1-CB 3.73Å; F47-L101 HydrophobicContact CE1-CD1 4.4Å; F47-L101 HydrophobicContact CZ-CB 3.7Å; F47-L101 HydrophobicContact CZ-CD1 4.12Å; F47-F102 HydrophobicContact CE1-CD2 4.38Å; F47-F102 HydrophobicContact CE1-CE2 4.48Å; F47-F102 HydrophobicContact CE2-CE2 4.34Å; F47-F102 AromaticContact CZ-CD2 3.83Å; F47-F102 HydrophobicContact CZ-CD2 3.83Å; F47-F102 AromaticContact CZ-CE2 3.92Å; F47-F102 HydrophobicContact CZ-CE2 3.92Å |
| 48 | D | 95.3 | Very high | 87.7 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 171.7 | 172.3 | -161.3 | 1.4 | 0 | 0 | 0 | 109.6 | W60 H63 V82 K84 | D48-W60 HydrophobicContact CB-CE3 3.7Å; D48-W60 HydrophobicContact CB-CZ3 3.86Å; D48-H63 IonicContact OD1-CD2 3.76Å; D48-H63 IonicContact OD1-CE1 3.24Å; D48-H63 IonicContact OD1-NE2 3.77Å; D48-H63 PolarHBondContact OD1-NE2 2.91Å; D48-H63 IonicContact OD2-NE2 3.57Å; D48-V82 PolarHBondContact N-O 3.37Å; D48-V82 VanDerWaalsContact N-O 3.08Å; D48-V82 PolarHBondContact O-N 3.36Å; D48-V82 VanDerWaalsContact O-N 3.11Å; D48-K84 HydrophobicContact CB-CB 3.94Å; D48-K84 HydrophobicContact CB-CD 3.39Å; D48-K84 HydrophobicContact CB-CG 4.3Å; D48-K84 VanDerWaalsContact OD2-CD 3.28Å; D48-K84 WeakPolarHBondContact OD2-CD 3.28Å; D48-K84 IonicContact OD2-NZ 2.76Å; D48-K84 PolarHBondContact OD2-NZ 3.05Å |
| 49 | L | 95 | Very high | 87.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 126 | 176.7 | -69.1 | 167.9 | 0 | 0 | 0 | 110.7 | V10 L31 Y32 V35 L61 Y79 S80 F81 | V10-L49 HydrophobicContact CG1-CD2 3.59Å; V10-L49 HydrophobicContact CG2-CD2 4.42Å; L31-L49 HydrophobicContact CD2-CD1 3.8Å; L31-L49 HydrophobicContact CG-CD1 3.72Å; Y32-L49 HydrophobicContact CD2-CD1 4.28Å; Y32-L49 HydrophobicContact CD2-CG 4.25Å; V35-L49 HydrophobicContact CG2-CD1 4.27Å; L49-L61 HydrophobicContact CB-CB 4.06Å; L49-L61 HydrophobicContact CB-CD2 3.97Å; L49-L61 HydrophobicContact CD1-CD2 3.79Å; L49-L61 HydrophobicContact CG-CD2 4.46Å; L49-L61 WeakPolarHBondContact O-CB 3.28Å; L49-L61 PolarHBondContact O-N 2.95Å; L49-Y79 HydrophobicContact CB-CD1 4.12Å; L49-S80 WeakPolarHBondContact CA-O 3.41Å; L49-F81 HydrophobicContact CD2-CB 4.1Å; L49-F81 HydrophobicContact CD2-CD2 4.21Å |
| 50 | E | 92.6 | Very high | 87.6 | Confident | 14 Ų | 14 | 44.5 Ų | 44.5 | 7% | 0.065 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 145.1 | 175.3 | -173.4 | 167.5 | -96.6 | 0 | 0 | 110.7 | H58 C59 W60 Y79 S80 V82 R197 | E50-H58 HydrophobicContact CG-CB 4.21Å; E50-H58 IonicContact OE2-CE1 3.37Å; E50-H58 IonicContact OE2-CG 3.82Å; E50-H58 IonicContact OE2-ND1 2.71Å; E50-H58 PolarHBondContact OE2-ND1 3.41Å; E50-C59 WeakPolarHBondContact CA-O 3.19Å; E50-W60 HydrophobicContact CB-CE3 3.98Å; E50-W60 HydrophobicContact CB-CZ3 3.93Å; E50-Y79 CarbonylContact O-C 3.58Å; E50-Y79 WeakPolarHBondContact O-CA 3.37Å; E50-S80 PolarHBondContact N-O 3.03Å; E50-S80 PolarHBondContact O-N 3.3Å; E50-V82 HydrophobicContact CB-CG2 4.18Å; E50-R197 IonicContact OE1-CZ 3.03Å; E50-R197 IonicContact OE1-NH1 2.64Å; E50-R197 PolarHBondContact OE1-NH1 2.87Å; E50-R197 IonicContact OE1-NH2 2.67Å; E50-R197 IonicContact OE2-NH1 2.69Å |
| 51 | Y | 90.7 | Very high | 87.8 | Confident | 26 Ų | 26 | 39 Ų | 39 | 10% | 0.102 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 153.8 | 170.7 | 70.3 | -76 | 0 | 0 | 0 | 111 | N53 C59 Q70 I71 Y79 | Y51-N53 HydrophobicContact CE2-CB 4.01Å; Y51-C59 HydrophobicContact CD1-CB 4.17Å; Y51-C59 WeakPolarHBondContact CD1-O 3.36Å; Y51-C59 HydrophobicContact CE1-CB 3.71Å; Y51-C59 HydrophobicContact CE2-CB 4.33Å; Y51-C59 PolarHBondContact N-O 3.04Å; Y51-C59 PolarHBondContact O-N 2.71Å; Y51-Q70 HydrophobicContact CE1-CB 4.45Å; Y51-Q70 WeakPolarHBondContact CE2-O 3.44Å; Y51-Q70 PolarHBondContact OH-O 2.65Å; Y51-I71 HydrophobicContact CD2-CB 4.12Å; Y51-I71 HydrophobicContact CD2-CD1 4.31Å; Y51-I71 HydrophobicContact CD2-CG1 4.19Å; Y51-I71 HydrophobicContact CE2-CB 4.33Å; Y51-Y79 HydrophobicContact CD1-CD1 4.08Å; Y51-Y79 AromaticContact CD1-CE1 3.55Å; Y51-Y79 HydrophobicContact CD1-CE1 3.55Å; Y51-Y79 HydrophobicContact CE1-CE1 4.34Å; Y51-Y79 HydrophobicContact CG-CD1 4.24Å; Y51-Y79 AromaticContact CG-CE1 3.82Å; Y51-Y79 HydrophobicContact CG-CE1 3.82Å |
| 52 | I | 86 | Confident | 87.8 | Confident | 101 Ų | 101 | 40 Ų | 40 | 52% | 0.518 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 120.6 | 172.1 | -58.4 | 178.5 | 0 | 0 | 0 | 108 | ||
| 53 | N | 80.4 | Confident | 87.9 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 16% | 0.16 | 21% | 0.207 | C | C | . | . | trans | -78.8 | 175 | 179.7 | 80.9 | 10.7 | 0 | 0 | 0 | 112.1 | Y51 D55 G56 L57 C59 | Y51-N53 HydrophobicContact CE2-CB 4.01Å; N53-D55 PolarHBondContact O-N 2.99Å; N53-D55 VanDerWaalsContact O-N 3.14Å; N53-D55 VanDerWaalsContact OD1-CA 3.28Å; N53-D55 WeakPolarHBondContact OD1-CA 3.5Å; N53-D55 WeakPolarHBondContact OD1-CB 3.22Å; N53-D55 PolarHBondContact OD1-N 2.69Å; N53-G56 PolarHBondContact O-N 3.03Å; N53-G56 PolarHBondContact OD1-N 2.64Å; N53-L57 VanDerWaalsContact CG-O 3.25Å; N53-L57 PolarHBondContact N-O 3.24Å; N53-L57 PolarHBondContact OD1-N 2.8Å; N53-L57 PolarHBondContact OD1-O 3.28Å; N53-C59 PolarHBondContact ND2-SG 3.16Å | ||
| 54 | K | 75.7 | Confident | 87.7 | Confident | 175 Ų | 175 | 44.5 Ų | 44.5 | 76% | 0.761 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -13.8 | 178.7 | 61.1 | 132.8 | -173.4 | 124.4 | 0 | 115.4 | ||
| 55 | D | 75.3 | Confident | 87.4 | Confident | 73 Ų | 73 | 45.3 Ų | 45.3 | 39% | 0.39 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 7.5 | 175.9 | -49.5 | -22.9 | 0 | 0 | 0 | 111.2 | N53 L57 N265 | N53-D55 PolarHBondContact O-N 2.99Å; N53-D55 VanDerWaalsContact O-N 3.14Å; N53-D55 VanDerWaalsContact OD1-CA 3.28Å; N53-D55 WeakPolarHBondContact OD1-CA 3.5Å; N53-D55 WeakPolarHBondContact OD1-CB 3.22Å; N53-D55 PolarHBondContact OD1-N 2.69Å; D55-L57 VanDerWaalsContact C-N 3.26Å; D55-L57 HydrophobicContact CB-CG 4.5Å; D55-L57 PolarHBondContact O-N 2.88Å; D55-N265 PolarHBondContact OD2-ND2 3.23Å |
| 56 | G | 77.4 | Confident | 87.1 | Confident | 50 Ų | 50 | 45.8 Ų | 45.8 | 52% | 0.515 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 78.3 | 0.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | N53 | N53-G56 PolarHBondContact O-N 3.03Å; N53-G56 PolarHBondContact OD1-N 2.64Å |
| 57 | L | 80.5 | Confident | 86.7 | Confident | 54 Ų | 54 | 45.9 Ų | 45.9 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | trans | -89.1 | 130.6 | -175.8 | -61.3 | 174 | 0 | 0 | 0 | 111.5 | N53 D55 C59 N265 E266 | N53-L57 VanDerWaalsContact CG-O 3.25Å; N53-L57 PolarHBondContact N-O 3.24Å; N53-L57 PolarHBondContact OD1-N 2.8Å; N53-L57 PolarHBondContact OD1-O 3.28Å; D55-L57 VanDerWaalsContact C-N 3.26Å; D55-L57 HydrophobicContact CB-CG 4.5Å; D55-L57 PolarHBondContact O-N 2.88Å; L57-C59 PolarHBondContact O-N 2.9Å; L57-C59 PolarHBondContact O-SG 2.85Å; L57-C59 VanDerWaalsContact O-SG 3.37Å; L57-N265 HydrophobicContact CD1-CB 4.11Å; L57-E266 HydrophobicContact CD1-CG 4.35Å; L57-E266 HydrophobicContact CD2-CG 4.27Å | ||
| 58 | H | 84.5 | Confident | 86 | Confident | 101 Ų | 101 | 47.7 Ų | 47.7 | 47% | 0.468 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 127.7 | 168.4 | -73.8 | -113.5 | 0 | 0 | 0 | 110.3 | E50 | E50-H58 HydrophobicContact CG-CB 4.21Å; E50-H58 IonicContact OE2-CE1 3.37Å; E50-H58 IonicContact OE2-CG 3.82Å; E50-H58 IonicContact OE2-ND1 2.71Å; E50-H58 PolarHBondContact OE2-ND1 3.41Å |
| 59 | C | 87.6 | Confident | 85.4 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 14% | 0.135 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 131.8 | -175.2 | -72.2 | 0 | 0 | 0 | 0 | 110.9 | E50 Y51 N53 L57 | E50-C59 WeakPolarHBondContact CA-O 3.19Å; Y51-C59 HydrophobicContact CD1-CB 4.17Å; Y51-C59 WeakPolarHBondContact CD1-O 3.36Å; Y51-C59 HydrophobicContact CE1-CB 3.71Å; Y51-C59 HydrophobicContact CE2-CB 4.33Å; Y51-C59 PolarHBondContact N-O 3.04Å; Y51-C59 PolarHBondContact O-N 2.71Å; N53-C59 PolarHBondContact ND2-SG 3.16Å; L57-C59 PolarHBondContact O-N 2.9Å; L57-C59 PolarHBondContact O-SG 2.85Å; L57-C59 VanDerWaalsContact O-SG 3.37Å |
| 60 | W | 90.9 | Very high | 84.8 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 13% | 0.125 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 145.4 | 167.7 | -60.5 | 115.4 | 0 | 0 | 0 | 111.6 | D48 E50 D62 V82 K84 R197 | D48-W60 HydrophobicContact CB-CE3 3.7Å; D48-W60 HydrophobicContact CB-CZ3 3.86Å; E50-W60 HydrophobicContact CB-CE3 3.98Å; E50-W60 HydrophobicContact CB-CZ3 3.93Å; W60-D62 PolarHBondContact O-N 3.28Å; W60-V82 HydrophobicContact CH2-CB 4.27Å; W60-V82 HydrophobicContact CZ3-CB 4.3Å; W60-K84 HydrophobicContact CD2-CD 3.86Å; W60-K84 HydrophobicContact CD2-CG 4.17Å; W60-K84 HydrophobicContact CE3-CB 4.49Å; W60-K84 HydrophobicContact CE3-CD 4.07Å; W60-K84 HydrophobicContact CE3-CG 4.42Å; W60-K84 HydrophobicContact CG-CD 4.23Å; W60-K84 HydrophobicContact CH2-CB 3.59Å; W60-K84 HydrophobicContact CH2-CD 4.48Å; W60-K84 HydrophobicContact CH2-CG 3.96Å; W60-K84 HydrophobicContact CZ2-CB 3.84Å; W60-K84 HydrophobicContact CZ2-CD 4.32Å; W60-K84 HydrophobicContact CZ2-CG 3.7Å; W60-K84 HydrophobicContact CZ3-CB 3.96Å; W60-K84 HydrophobicContact CZ3-CD 4.37Å; W60-K84 HydrophobicContact CZ3-CG 4.32Å; W60-R197 VanDerWaalsContact CH2-NH2 3.25Å |
| 61 | L | 91 | Very high | 84 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | trans | -57.3 | 127.3 | 174 | -178.1 | 63.4 | 0 | 0 | 0 | 110.8 | G28 L31 L49 H63 Y79 | G28-L61 WeakPolarHBondContact O-CD2 3.4Å; L31-L61 HydrophobicContact CD2-CD2 4.27Å; L49-L61 HydrophobicContact CB-CB 4.06Å; L49-L61 HydrophobicContact CB-CD2 3.97Å; L49-L61 HydrophobicContact CD1-CD2 3.79Å; L49-L61 HydrophobicContact CG-CD2 4.46Å; L49-L61 WeakPolarHBondContact O-CB 3.28Å; L49-L61 PolarHBondContact O-N 2.95Å; L61-H63 PolarHBondContact O-CD2 2.95Å; L61-H63 PolarHBondContact O-N 3.05Å; L61-Y79 HydrophobicContact CD1-CE1 3.78Å | ||
| 62 | D | 88.3 | Confident | 82.8 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 13% | 0.134 | 31% | 0.313 | C | S | . | . | trans | -85.9 | 95.3 | 172.2 | -162.3 | -55.7 | 0 | 0 | 0 | 108.5 | W60 S64 K65 Q70 K272 | W60-D62 PolarHBondContact O-N 3.28Å; D62-S64 PolarHBondContact O-N 3.23Å; D62-S64 PolarHBondContact OD1-N 3.36Å; D62-S64 PolarHBondContact OD1-OG 3.1Å; D62-K65 HydrophobicContact CB-CB 4.37Å; D62-K65 HydrophobicContact CB-CD 4.48Å; D62-K65 HydrophobicContact CB-CG 4.24Å; D62-K65 PolarHBondContact O-N 3.45Å; D62-K65 IonicContact OD1-NZ 3.71Å; D62-K65 IonicContact OD2-NZ 3.73Å; D62-K65 PolarHBondContact OD2-NZ 2.81Å; D62-Q70 VanDerWaalsContact CB-OE1 3.23Å; D62-Q70 PolarHBondContact O-NE2 3.36Å; D62-K272 IonicContact OD2-NZ 2.76Å | ||
| 63 | H | 88.6 | Confident | 81.5 | Confident | 44 Ų | 44 | 60.9 Ų | 60.9 | 20% | 0.204 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -23.3 | -175.6 | -68.7 | -159.1 | 0 | 0 | 0 | 113.2 | G28 H29 Y32 D48 L61 | G28-H63 PolarHBondContact N-O 3.04Å; H29-H63 HydrophobicContact CB-CB 4.15Å; H29-H63 PolarHBondContact N-O 2.84Å; H29-H63 VanDerWaalsContact N-O 3.13Å; Y32-H63 AromaticContact CD1-CE1 3.61Å; Y32-H63 AromaticContact CG-CE1 3.76Å; D48-H63 IonicContact OD1-CD2 3.76Å; D48-H63 IonicContact OD1-CE1 3.24Å; D48-H63 IonicContact OD1-NE2 3.77Å; D48-H63 PolarHBondContact OD1-NE2 2.91Å; D48-H63 IonicContact OD2-NE2 3.57Å; L61-H63 PolarHBondContact O-CD2 2.95Å; L61-H63 PolarHBondContact O-N 3.05Å |
| 64 | S | 85.3 | Confident | 80.4 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -7.7 | -180 | 79.5 | 0 | 0 | 0 | 0 | 115.7 | D62 | D62-S64 PolarHBondContact O-N 3.23Å; D62-S64 PolarHBondContact OD1-N 3.36Å; D62-S64 PolarHBondContact OD1-OG 3.1Å |
| 65 | K | 86.7 | Confident | 79.7 | Confident | 96 Ų | 96 | 63.2 Ų | 63.2 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -111.3 | 147.1 | -177.7 | -66.6 | -163.7 | -170.6 | 76.6 | 0 | 112.7 | P27 G28 D62 I67 Q70 | P27-K65 CarbonylContact C-O 3.6Å; P27-K65 WeakPolarHBondContact CA-O 3.47Å; G28-K65 PolarHBondContact N-O 3.17Å; D62-K65 HydrophobicContact CB-CB 4.37Å; D62-K65 HydrophobicContact CB-CD 4.48Å; D62-K65 HydrophobicContact CB-CG 4.24Å; D62-K65 PolarHBondContact O-N 3.45Å; D62-K65 IonicContact OD1-NZ 3.71Å; D62-K65 IonicContact OD2-NZ 3.73Å; D62-K65 PolarHBondContact OD2-NZ 2.81Å; K65-I67 PolarHBondContact O-N 3.23Å; K65-Q70 HydrophobicContact CB-CG 4.2Å; K65-Q70 PolarHBondContact O-NE2 3.01Å |
| 66 | A | 86.4 | Confident | 79.4 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -56.9 | 133.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R25 S26 N68 K69 Q70 | R25-A66 WeakPolarHBondContact O-CB 3.49Å; S26-A66 VanDerWaalsContact O-CA 3.29Å; S26-A66 WeakPolarHBondContact O-CA 3.41Å; A66-N68 VanDerWaalsContact C-N 3.27Å; A66-N68 WeakPolarHBondContact CB-OD1 3.25Å; A66-N68 PolarHBondContact O-N 2.99Å; A66-K69 PolarHBondContact O-N 3.4Å; A66-Q70 WeakPolarHBondContact O-CG 3.27Å |
| 67 | I | 85.6 | Confident | 79.5 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -57.8 | -39.2 | -173.1 | -66.2 | 157.9 | 0 | 0 | 0 | 111.7 | L22 S26 L31 K65 K69 Q70 F77 Y79 | L22-I67 HydrophobicContact CD1-CD1 3.84Å; S26-I67 WeakPolarHBondContact O-CG1 3.49Å; S26-I67 PolarHBondContact O-N 2.81Å; L31-I67 HydrophobicContact CB-CD1 3.73Å; L31-I67 HydrophobicContact CD2-CD1 4.28Å; K65-I67 PolarHBondContact O-N 3.23Å; I67-K69 PolarHBondContact O-N 2.99Å; I67-Q70 PolarHBondContact O-N 3.39Å; I67-F77 HydrophobicContact CG2-CD1 3.74Å; I67-F77 HydrophobicContact CG2-CE1 4.02Å; I67-Y79 HydrophobicContact CG2-CE2 4.36Å |
| 68 | N | 82.4 | Confident | 79.8 | Confident | 41 Ų | 41 | 68.8 Ų | 68.8 | 22% | 0.219 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -66.3 | -0.4 | 176.2 | 78.8 | -28.3 | 0 | 0 | 0 | 115.7 | I6 P24 A66 | I6-N68 HydrophobicContact CD1-CB 4.1Å; P24-N68 WeakPolarHBondContact O-CB 3.33Å; P24-N68 PolarHBondContact O-ND2 2.88Å; P24-N68 PolarHBondContact O-OD1 3.22Å; A66-N68 VanDerWaalsContact C-N 3.27Å; A66-N68 WeakPolarHBondContact CB-OD1 3.25Å; A66-N68 PolarHBondContact O-N 2.99Å |
| 69 | K | 82.5 | Confident | 80.2 | Confident | 167 Ų | 167 | 64 Ų | 64 | 73% | 0.726 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -113 | 7.8 | 173.9 | -62.5 | -175.5 | -179.9 | -176.3 | 0 | 113.1 | A66 I67 | A66-K69 PolarHBondContact O-N 3.4Å; I67-K69 PolarHBondContact O-N 2.99Å |
| 70 | Q | 82.5 | Confident | 80.5 | Confident | 23 Ų | 23 | 65.2 Ų | 65.2 | 11% | 0.107 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -55.1 | -175.8 | -49.7 | -150.6 | 48.2 | 0 | 0 | 111.4 | Y51 D62 K65 A66 I67 | Y51-Q70 HydrophobicContact CE1-CB 4.45Å; Y51-Q70 WeakPolarHBondContact CE2-O 3.44Å; Y51-Q70 PolarHBondContact OH-O 2.65Å; D62-Q70 VanDerWaalsContact CB-OE1 3.23Å; D62-Q70 PolarHBondContact O-NE2 3.36Å; K65-Q70 HydrophobicContact CB-CG 4.2Å; K65-Q70 PolarHBondContact O-NE2 3.01Å; A66-Q70 WeakPolarHBondContact O-CG 3.27Å; I67-Q70 PolarHBondContact O-N 3.39Å |
| 71 | I | 76.2 | Confident | 80.8 | Confident | 21 Ų | 21 | 63.8 Ų | 63.8 | 11% | 0.108 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -98.1 | 155 | 171.9 | -161.6 | 166.5 | 0 | 0 | 0 | 110.2 | Y51 F77 | Y51-I71 HydrophobicContact CD2-CB 4.12Å; Y51-I71 HydrophobicContact CD2-CD1 4.31Å; Y51-I71 HydrophobicContact CD2-CG1 4.19Å; Y51-I71 HydrophobicContact CE2-CB 4.33Å; I71-F77 HydrophobicContact CG2-CD1 3.23Å; I71-F77 HydrophobicContact CG2-CE1 3.42Å; I71-F77 VanDerWaalsContact CG2-CE1 3.42Å; I71-F77 HydrophobicContact CG2-CG 3.99Å; I71-F77 HydrophobicContact CG2-CZ 4.3Å |
| 72 | N | 65.7 | Low | 81 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 51% | 0.508 | 32% | 0.323 | S | S | . | . | trans | -78.2 | 133 | -179.8 | -168.3 | 10.5 | 0 | 0 | 0 | 110.7 | S74 K75 | N72-S74 PolarHBondContact ND2-OG 3.18Å; N72-S74 VanDerWaalsContact ND2-OG 3.16Å; N72-S74 PolarHBondContact O-N 3.14Å; N72-K75 PolarHBondContact O-N 2.99Å | ||
| 73 | I | 58.3 | Low | 81.4 | Confident | 116 Ų | 116 | 63 Ų | 63 | 60% | 0.595 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.8 | -174.7 | -62.3 | 167.1 | 0 | 0 | 0 | 112.2 | K75 F77 | I73-K75 PolarHBondContact O-N 2.87Å; I73-F77 HydrophobicContact CG1-CZ 4.3Å |
| 74 | S | 57.7 | Low | 81.7 | Confident | 94 Ų | 94 | 61.4 Ų | 61.4 | 66% | 0.657 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 12.4 | 177.3 | 74.5 | 0 | 0 | 0 | 0 | 115.2 | N72 | N72-S74 PolarHBondContact ND2-OG 3.18Å; N72-S74 VanDerWaalsContact ND2-OG 3.16Å; N72-S74 PolarHBondContact O-N 3.14Å |
| 75 | K | 60.2 | Low | 82.2 | Confident | 160 Ų | 160 | 57.9 Ų | 57.9 | 70% | 0.696 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -139.4 | 158.7 | 172.7 | -70.2 | -168.3 | 175 | -172.4 | 0 | 109.5 | N72 I73 | N72-K75 PolarHBondContact O-N 2.99Å; I73-K75 PolarHBondContact O-N 2.87Å |
| 76 | R | 69.7 | Low | 82.6 | Confident | 201 Ų | 201 | 54 Ų | 54 | 76% | 0.758 | 27% | 0.267 | S | S | * | . | trans | -55.6 | 145.4 | 168.1 | -70.6 | -170.1 | -175.6 | 172.7 | 1.9 | 109.6 | L78 | R76-L78 PolarHBondContact O-N 3.11Š| ||
| 77 | F | 78.4 | Confident | 83 | Confident | 16 Ų | 16 | 53.3 Ų | 53.3 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 66.7 | -178.6 | -77.3 | -101.6 | 0 | 0 | 0 | 110.4 | I6 V8 D9 I67 I71 I73 | I6-F77 HydrophobicContact CD1-CE1 4.38Å; I6-F77 HydrophobicContact CD1-CE2 4.28Å; I6-F77 HydrophobicContact CD1-CZ 3.91Å; I6-F77 HydrophobicContact CG2-CB 4.42Å; I6-F77 HydrophobicContact CG2-CD1 4.11Å; I6-F77 HydrophobicContact CG2-CD2 3.37Å; I6-F77 HydrophobicContact CG2-CE1 4.24Å; I6-F77 HydrophobicContact CG2-CE2 3.52Å; I6-F77 HydrophobicContact CG2-CG 3.71Å; I6-F77 HydrophobicContact CG2-CZ 3.96Å; V8-F77 HydrophobicContact CB-CB 4.24Å; V8-F77 HydrophobicContact CG1-CB 4.15Å; V8-F77 WeakPolarHBondContact CG1-O 3.28Å; V8-F77 HydrophobicContact CG2-CB 3.98Å; V8-F77 HydrophobicContact CG2-CG 4.47Å; D9-F77 PolarHBondContact N-O 3.13Å; I67-F77 HydrophobicContact CG2-CD1 3.74Å; I67-F77 HydrophobicContact CG2-CE1 4.02Å; I71-F77 HydrophobicContact CG2-CD1 3.23Å; I71-F77 HydrophobicContact CG2-CE1 3.42Å; I71-F77 VanDerWaalsContact CG2-CE1 3.42Å; I71-F77 HydrophobicContact CG2-CG 3.99Å; I71-F77 HydrophobicContact CG2-CZ 4.3Å; I73-F77 HydrophobicContact CG1-CZ 4.3Å |
| 78 | L | 88.1 | Confident | 83.3 | Confident | 78 Ų | 78 | 54.7 Ų | 54.7 | 41% | 0.408 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 121.3 | -174.8 | -169.3 | 66.5 | 0 | 0 | 0 | 111.4 | D9 I11 R76 | D9-L78 HydrophobicContact CB-CD1 3.58Å; D9-L78 CarbonylContact O-C 3.58Å; D9-L78 WeakPolarHBondContact O-CA 3.48Å; I11-L78 HydrophobicContact CD1-CD1 3.98Å; I11-L78 HydrophobicContact CD1-CD2 4.24Å; I11-L78 HydrophobicContact CD1-CG 4.31Å; I11-L78 HydrophobicContact CG1-CD1 3.91Å; R76-L78 PolarHBondContact O-N 3.11Å |
| 79 | Y | 92.4 | Very high | 83.7 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 159.6 | 171.5 | -67.4 | -97.5 | 0 | 0 | 0 | 110.2 | V8 D9 V10 I11 L31 L49 E50 Y51 L61 I67 | V8-Y79 HydrophobicContact CG1-CD2 3.72Å; V8-Y79 HydrophobicContact CG1-CE2 3.95Å; D9-Y79 PolarHBondContact O-N 3.01Å; V10-Y79 CarbonylContact C-O 3.57Å; V10-Y79 WeakPolarHBondContact CA-O 3.24Å; I11-Y79 PolarHBondContact N-O 2.91Å; L31-Y79 HydrophobicContact CD2-CD2 4.13Å; L31-Y79 HydrophobicContact CD2-CE2 4.16Å; L31-Y79 HydrophobicContact CD2-CG 4.49Å; L49-Y79 HydrophobicContact CB-CD1 4.12Å; E50-Y79 CarbonylContact O-C 3.58Å; E50-Y79 WeakPolarHBondContact O-CA 3.37Å; Y51-Y79 HydrophobicContact CD1-CD1 4.08Å; Y51-Y79 AromaticContact CD1-CE1 3.55Å; Y51-Y79 HydrophobicContact CD1-CE1 3.55Å; Y51-Y79 HydrophobicContact CE1-CE1 4.34Å; Y51-Y79 HydrophobicContact CG-CD1 4.24Å; Y51-Y79 AromaticContact CG-CE1 3.82Å; Y51-Y79 HydrophobicContact CG-CE1 3.82Å; L61-Y79 HydrophobicContact CD1-CE1 3.78Å; I67-Y79 HydrophobicContact CG2-CE2 4.36Å |
| 80 | S | 94 | Very high | 84.3 | Confident | 44 Ų | 44 | 48.9 Ų | 48.9 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 135.8 | 169.2 | -57.7 | 0 | 0 | 0 | 0 | 109.6 | I11 L49 E50 | I11-S80 WeakPolarHBondContact O-CA 3.43Å; L49-S80 WeakPolarHBondContact CA-O 3.41Å; E50-S80 PolarHBondContact N-O 3.03Å; E50-S80 PolarHBondContact O-N 3.3Å |
| 81 | F | 96.6 | Very high | 84.6 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 119.6 | 170.4 | -175.5 | -102.1 | 0 | 0 | 0 | 109 | V10 I11 L12 L13 Y32 V35 L39 L41 F47 L49 L101 | V10-F81 HydrophobicContact CG1-CB 4.27Å; I11-F81 PolarHBondContact O-N 3.17Å; L12-F81 HydrophobicContact CD2-CB 4.07Å; L12-F81 HydrophobicContact CD2-CG 4.42Å; L13-F81 HydrophobicContact CD1-CD1 3.86Å; L13-F81 HydrophobicContact CD1-CE1 4.01Å; L13-F81 WeakPolarHBondContact CD2-O 3.34Å; L13-F81 HydrophobicContact CG-CD1 4.05Å; L13-F81 WeakPolarHBondContact CG-O 3.46Å; Y32-F81 HydrophobicContact CE2-CE2 4.48Å; V35-F81 HydrophobicContact CG1-CD2 3.75Å; V35-F81 HydrophobicContact CG1-CE2 4.09Å; V35-F81 HydrophobicContact CG1-CG 4.4Å; L39-F81 HydrophobicContact CD1-CD1 4.06Å; L39-F81 HydrophobicContact CD1-CD2 4.48Å; L39-F81 HydrophobicContact CD1-CE1 3.62Å; L39-F81 HydrophobicContact CD1-CE2 4.08Å; L39-F81 HydrophobicContact CD1-CG 4.46Å; L39-F81 HydrophobicContact CD1-CZ 3.63Å; L41-F81 HydrophobicContact CD2-CE1 4.5Å; L41-F81 HydrophobicContact CD2-CZ 3.79Å; F47-F81 HydrophobicContact CB-CE1 4Å; F47-F81 HydrophobicContact CB-CE2 3.65Å; F47-F81 HydrophobicContact CB-CZ 3.35Å; F47-F81 HydrophobicContact CD1-CD1 4.43Å; F47-F81 AromaticContact CD1-CE1 3.6Å; F47-F81 HydrophobicContact CD1-CE1 3.6Å; F47-F81 AromaticContact CD1-CZ 3.8Å; F47-F81 HydrophobicContact CD1-CZ 3.8Å; F47-F81 HydrophobicContact CD2-CZ 4.22Å; F47-F81 HydrophobicContact CE1-CE1 4.23Å; F47-F81 AromaticContact CG-CE1 3.87Å; F47-F81 HydrophobicContact CG-CE1 3.87Å; F47-F81 HydrophobicContact CG-CE2 4.35Å; F47-F81 AromaticContact CG-CZ 3.54Å; F47-F81 HydrophobicContact CG-CZ 3.54Å; L49-F81 HydrophobicContact CD2-CB 4.1Å; L49-F81 HydrophobicContact CD2-CD2 4.21Å; F81-L101 HydrophobicContact CE1-CD1 4.45Å |
| 82 | V | 95.5 | Very high | 85.3 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 9% | 0.085 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 148.6 | -168.4 | -164.3 | 0 | 0 | 0 | 0 | 110.1 | F47 D48 E50 W60 K84 | F47-V82 WeakPolarHBondContact CA-O 3.28Å; D48-V82 PolarHBondContact N-O 3.37Å; D48-V82 VanDerWaalsContact N-O 3.08Å; D48-V82 PolarHBondContact O-N 3.36Å; D48-V82 VanDerWaalsContact O-N 3.11Å; E50-V82 HydrophobicContact CB-CG2 4.18Å; W60-V82 HydrophobicContact CH2-CB 4.27Å; W60-V82 HydrophobicContact CZ3-CB 4.3Å; V82-K84 PolarHBondContact O-N 3.39Å |
| 83 | V | 96.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 124.9 | 168.4 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | F47 Y86 F102 Q105 R197 | F47-V83 HydrophobicContact CD1-CG2 3.75Å; F47-V83 HydrophobicContact CE1-CG2 3.52Å; F47-V83 HydrophobicContact CZ-CG2 4.41Å; V83-Y86 HydrophobicContact CB-CE1 4.35Å; V83-Y86 HydrophobicContact CB-CE2 3.95Å; V83-Y86 HydrophobicContact CG1-CD1 4.17Å; V83-Y86 HydrophobicContact CG1-CD2 3.72Å; V83-Y86 HydrophobicContact CG1-CE1 4.14Å; V83-Y86 HydrophobicContact CG1-CE2 3.65Å; V83-Y86 HydrophobicContact CG1-CG 3.97Å; V83-Y86 WeakPolarHBondContact O-CE2 3.36Å; V83-F102 HydrophobicContact CG1-CE1 3.76Å; V83-F102 HydrophobicContact CG1-CE2 4.39Å; V83-F102 HydrophobicContact CG1-CZ 3.65Å; V83-F102 HydrophobicContact CG2-CD1 4.35Å; V83-F102 HydrophobicContact CG2-CD2 4.35Å; V83-F102 HydrophobicContact CG2-CE1 4.27Å; V83-F102 HydrophobicContact CG2-CE2 4.26Å; V83-F102 HydrophobicContact CG2-CG 4.4Å; V83-F102 HydrophobicContact CG2-CZ 4.22Å; V83-Q105 HydrophobicContact CB-CG 3.84Å; V83-Q105 HydrophobicContact CG2-CB 3.74Å; V83-Q105 HydrophobicContact CG2-CG 3.59Å; V83-R197 PolarHBondContact O-NH2 2.88Å |
| 84 | K | 95 | Very high | 87.6 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | trans | -99 | -34.5 | 177.4 | -179.4 | 168.3 | 178.3 | -176.9 | 0 | 112.4 | Y46 D48 W60 V82 E276 H277 | Y46-K84 PolarHBondContact O-N 3.17Å; D48-K84 HydrophobicContact CB-CB 3.94Å; D48-K84 HydrophobicContact CB-CD 3.39Å; D48-K84 HydrophobicContact CB-CG 4.3Å; D48-K84 VanDerWaalsContact OD2-CD 3.28Å; D48-K84 WeakPolarHBondContact OD2-CD 3.28Å; D48-K84 IonicContact OD2-NZ 2.76Å; D48-K84 PolarHBondContact OD2-NZ 3.05Å; W60-K84 HydrophobicContact CD2-CD 3.86Å; W60-K84 HydrophobicContact CD2-CG 4.17Å; W60-K84 HydrophobicContact CE3-CB 4.49Å; W60-K84 HydrophobicContact CE3-CD 4.07Å; W60-K84 HydrophobicContact CE3-CG 4.42Å; W60-K84 HydrophobicContact CG-CD 4.23Å; W60-K84 HydrophobicContact CH2-CB 3.59Å; W60-K84 HydrophobicContact CH2-CD 4.48Å; W60-K84 HydrophobicContact CH2-CG 3.96Å; W60-K84 HydrophobicContact CZ2-CB 3.84Å; W60-K84 HydrophobicContact CZ2-CD 4.32Å; W60-K84 HydrophobicContact CZ2-CG 3.7Å; W60-K84 HydrophobicContact CZ3-CB 3.96Å; W60-K84 HydrophobicContact CZ3-CD 4.37Å; W60-K84 HydrophobicContact CZ3-CG 4.32Å; V82-K84 PolarHBondContact O-N 3.39Å; K84-E276 WeakPolarHBondContact CE-OE1 3.35Å; K84-E276 IonicContact NZ-OE1 3.82Å; K84-E276 PolarHBondContact NZ-OE1 2.88Å; K84-E276 IonicContact NZ-OE2 3.35Å; K84-H277 PolarHBondContact O-CE1 2.77Å | ||
| 85 | F | 95.8 | Very high | 88.9 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -125.1 | 100.5 | -177.8 | -57.3 | -76.7 | 0 | 0 | 0 | 111.2 | D45 Y46 T87 E276 H277 F280 F281 Y304 | D45-F85 WeakPolarHBondContact O-CD2 3.38Å; D45-F85 WeakPolarHBondContact O-CE2 3.38Å; Y46-F85 HydrophobicContact CD1-CB 4.32Å; Y46-F85 WeakPolarHBondContact CD1-O 3.23Å; Y46-F85 PolarHBondContact O-N 3.02Å; F85-T87 PolarHBondContact O-N 3.29Å; F85-E276 HydrophobicContact CE1-CB 4Å; F85-E276 HydrophobicContact CZ-CB 4.03Å; F85-H277 AromaticContact CD1-CE1 3.82Å; F85-H277 AromaticContact CD1-ND1 3.81Å; F85-H277 AromaticContact CE1-CE1 3.93Å; F85-H277 AromaticContact CE1-ND1 3.6Å; F85-F280 HydrophobicContact CB-CD1 3.64Å; F85-F280 HydrophobicContact CB-CE1 3.58Å; F85-F280 HydrophobicContact CB-CG 4.45Å; F85-F280 HydrophobicContact CB-CZ 4.36Å; F85-F280 HydrophobicContact CD1-CB 3.93Å; F85-F280 AromaticContact CD1-CD1 3.82Å; F85-F280 HydrophobicContact CD1-CD1 3.82Å; F85-F280 AromaticContact CD1-CG 3.99Å; F85-F280 HydrophobicContact CD1-CG 3.99Å; F85-F280 HydrophobicContact CD2-CD1 4.16Å; F85-F280 HydrophobicContact CD2-CD2 4.35Å; F85-F280 HydrophobicContact CD2-CE1 4.34Å; F85-F280 HydrophobicContact CD2-CG 4.15Å; F85-F280 HydrophobicContact CE1-CB 3.76Å; F85-F280 HydrophobicContact CE1-CD1 4.47Å; F85-F280 HydrophobicContact CE1-CG 4.19Å; F85-F280 HydrophobicContact CE2-CD2 4.41Å; F85-F280 HydrophobicContact CE2-CG 4.33Å; F85-F280 HydrophobicContact CG-CB 4.39Å; F85-F280 AromaticContact CG-CD1 3.62Å; F85-F280 HydrophobicContact CG-CD1 3.62Å; F85-F280 AromaticContact CG-CE1 3.96Å; F85-F280 HydrophobicContact CG-CE1 3.96Å; F85-F280 AromaticContact CG-CG 3.95Å; F85-F280 HydrophobicContact CG-CG 3.95Å; F85-F280 HydrophobicContact CZ-CB 4.07Å; F85-F280 HydrophobicContact CZ-CG 4.34Å; F85-F281 HydrophobicContact CB-CE2 3.97Å; F85-F281 HydrophobicContact CB-CZ 3.79Å; F85-F281 AromaticContact CD1-CE2 3.99Å; F85-F281 HydrophobicContact CD1-CE2 3.99Å; F85-F281 HydrophobicContact CG-CE2 4.44Å; F85-Y304 HydrophobicContact CE2-CE2 4.21Å; F85-Y304 HydrophobicContact CZ-CD2 4.44Å; F85-Y304 AromaticContact CZ-CE2 3.83Å; F85-Y304 HydrophobicContact CZ-CE2 3.83Å |
| 86 | Y | 95.2 | Very high | 90.2 | Very high | 16 Ų | 16 | 41.1 Ų | 41.1 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | trans | -77.7 | 109.1 | 178 | -69 | -106.4 | 0 | 0 | 0 | 110.3 | V83 F102 Q105 D109 Y194 F281 | V83-Y86 HydrophobicContact CB-CE1 4.35Å; V83-Y86 HydrophobicContact CB-CE2 3.95Å; V83-Y86 HydrophobicContact CG1-CD1 4.17Å; V83-Y86 HydrophobicContact CG1-CD2 3.72Å; V83-Y86 HydrophobicContact CG1-CE1 4.14Å; V83-Y86 HydrophobicContact CG1-CE2 3.65Å; V83-Y86 HydrophobicContact CG1-CG 3.97Å; V83-Y86 WeakPolarHBondContact O-CE2 3.36Å; Y86-F102 HydrophobicContact CD1-CE1 4.43Å; Y86-Q105 HydrophobicContact CE1-CG 3.97Å; Y86-Q105 WeakPolarHBondContact OH-CG 3.4Å; Y86-Q105 PolarHBondContact OH-NE2 3.27Å; Y86-Q105 VanDerWaalsContact OH-NE2 3.14Å; Y86-D109 PolarHBondContact OH-OD2 3.22Å; Y86-Y194 HydrophobicContact CD1-CE1 4.36Å; Y86-Y194 AromaticContact CD1-CE2 3.95Å; Y86-Y194 HydrophobicContact CD1-CE2 3.95Å; Y86-Y194 AromaticContact CD1-CZ 3.82Å; Y86-F281 WeakPolarHBondContact O-CZ 3.48Å | ||
| 87 | T | 94.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | trans | -68.3 | 145.5 | 176.6 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | Y46 F85 H89 P90 L93 F102 Y194 Q309 | Y46-T87 HydrophobicContact CE1-CG2 4.41Å; F85-T87 PolarHBondContact O-N 3.29Å; T87-H89 PolarHBondContact O-N 2.91Å; T87-H89 PolarHBondContact OG1-N 3.5Å; T87-P90 HydrophobicContact CG2-CB 3.94Å; T87-L93 HydrophobicContact CG2-CD1 3.97Å; T87-L93 HydrophobicContact CG2-CD2 4.03Å; T87-L93 HydrophobicContact CG2-CG 4.16Å; T87-F102 HydrophobicContact CG2-CE1 4.23Å; T87-F102 HydrophobicContact CG2-CZ 4.14Å; T87-Y194 WeakPolarHBondContact O-CE1 3.42Å; T87-Y194 PolarHBondContact O-OH 3.06Å; T87-Q309 PolarHBondContact OG1-NE2 2.83Å | ||
| 88 | P | 92 | Very high | 91.8 | Very high | 35 Ų | 35 | 31.5 Ų | 31.5 | 23% | 0.227 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -64.2 | -17.6 | 175.5 | 24.4 | -34 | 0 | 0 | 0 | 114.6 | ||
| 89 | H | 92 | Very high | 92.1 | Very high | 86 Ų | 86 | 29.9 Ų | 29.9 | 40% | 0.398 | 15% | 0.15 | S | C | . | . | trans | -134.3 | 68.5 | -176.6 | -57.8 | -63.8 | 0 | 0 | 0 | 111 | T87 N91 L92 | T87-H89 PolarHBondContact O-N 2.91Å; T87-H89 PolarHBondContact OG1-N 3.5Å; H89-N91 PolarHBondContact O-N 2.91Å; H89-L92 HydrophobicContact CB-CB 4.06Å; H89-L92 HydrophobicContact CB-CD1 3.97Å; H89-L92 HydrophobicContact CB-CG 4.08Å; H89-L92 PolarHBondContact O-N 3.09Å | ||
| 90 | P | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -66.4 | -26.3 | -177.7 | 29.7 | -36.8 | 0 | 0 | 0 | 112.8 | T87 L92 L93 F102 L185 R189 Y194 | T87-P90 HydrophobicContact CG2-CB 3.94Å; P90-L92 PolarHBondContact O-N 2.93Å; P90-L93 HydrophobicContact CB-CD1 4.32Å; P90-L93 WeakPolarHBondContact O-CD1 3.32Å; P90-L93 WeakPolarHBondContact O-CG 3.47Å; P90-L93 PolarHBondContact O-N 3.3Å; P90-F102 HydrophobicContact CB-CD1 3.98Å; P90-F102 HydrophobicContact CB-CE1 4.37Å; P90-F102 HydrophobicContact CB-CG 4.47Å; P90-L185 HydrophobicContact CB-CB 4.34Å; P90-L185 HydrophobicContact CB-CD1 4.32Å; P90-L185 HydrophobicContact CB-CD2 4.07Å; P90-L185 HydrophobicContact CB-CG 4.47Å; P90-L185 HydrophobicContact CG-CB 4.11Å; P90-L185 HydrophobicContact CG-CD2 4.2Å; P90-R189 HydrophobicContact CG-CB 4.19Å; P90-Y194 HydrophobicContact CG-CE2 4.31Å; P90-Y194 WeakPolarHBondContact CG-OH 3.27Å |
| 91 | N | 90.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -68.6 | -15.8 | 172.8 | 67.8 | -58.3 | 0 | 0 | 0 | 113.4 | H89 Y182 L185 D186 R189 | H89-N91 PolarHBondContact O-N 2.91Å; N91-Y182 HydrophobicContact CB-CD2 3.84Å; N91-Y182 HydrophobicContact CB-CE2 3.69Å; N91-Y182 HydrophobicContact CB-CG 4.49Å; N91-Y182 PolarHBondContact ND2-OH 3.41Å; N91-Y182 VanDerWaalsContact O-CD2 3.31Å; N91-Y182 WeakPolarHBondContact O-CD2 3.43Å; N91-Y182 WeakPolarHBondContact O-CE2 3.44Å; N91-L185 HydrophobicContact CB-CB 3.96Å; N91-D186 HydrophobicContact CB-CB 4.14Å; N91-D186 PolarHBondContact ND2-OD1 2.73Å; N91-R189 WeakPolarHBondContact OD1-CD 3.47Å; N91-R189 PolarHBondContact OD1-NE 2.92Å |
| 92 | L | 89.5 | Confident | 92.3 | Very high | 113 Ų | 113 | 29.2 Ų | 29.2 | 59% | 0.592 | 14% | 0.141 | S | C | * | . | G | 310 helix | trans | -105.9 | 15.8 | 178.5 | -55.7 | -176.5 | 0 | 0 | 0 | 113.2 | H89 P90 | H89-L92 HydrophobicContact CB-CB 4.06Å; H89-L92 HydrophobicContact CB-CD1 3.97Å; H89-L92 HydrophobicContact CB-CG 4.08Å; H89-L92 PolarHBondContact O-N 3.09Å; P90-L92 PolarHBondContact O-N 2.93Å |
| 93 | L | 89.9 | Confident | 92.3 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 4% | 0.037 | 14% | 0.14 | C | C | . | . | trans | -67.2 | 140.5 | 164.6 | -63.5 | 168.3 | 0 | 0 | 0 | 108.3 | Y46 T87 P90 T98 R99 F102 | Y46-L93 HydrophobicContact CD2-CD2 4.21Å; Y46-L93 HydrophobicContact CE1-CD2 4.48Å; Y46-L93 HydrophobicContact CE2-CD2 3.38Å; Y46-L93 WeakPolarHBondContact OH-CD2 3.5Å; T87-L93 HydrophobicContact CG2-CD1 3.97Å; T87-L93 HydrophobicContact CG2-CD2 4.03Å; T87-L93 HydrophobicContact CG2-CG 4.16Å; P90-L93 HydrophobicContact CB-CD1 4.32Å; P90-L93 WeakPolarHBondContact O-CD1 3.32Å; P90-L93 WeakPolarHBondContact O-CG 3.47Å; P90-L93 PolarHBondContact O-N 3.3Å; L93-T98 HydrophobicContact CB-CG2 4.26Å; L93-T98 HydrophobicContact CD1-CG2 3.78Å; L93-T98 HydrophobicContact CG-CG2 4.41Å; L93-R99 HydrophobicContact CB-CG 3.97Å; L93-R99 PolarHBondContact O-NH1 3.33Å; L93-F102 HydrophobicContact CD1-CD2 3.61Å; L93-F102 HydrophobicContact CD1-CE2 3.66Å; L93-F102 HydrophobicContact CD1-CG 4.14Å; L93-F102 HydrophobicContact CD1-CZ 4.22Å | ||
| 94 | E | 82.2 | Confident | 92.3 | Very high | 145 Ų | 145 | 30 Ų | 30 | 68% | 0.678 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -79.1 | -44 | -169.2 | -65.8 | -78.7 | -173.2 | 0 | 0 | 110.3 | E43 R99 I316 | E43-E94 PolarHBondContact OE2-N 2.92Å; E94-R99 PolarHBondContact O-NH1 3.03Å; E94-I316 HydrophobicContact CB-CG2 4.24Å; E94-I316 HydrophobicContact CG-CG2 4.36Å |
| 95 | D | 85.1 | Confident | 92.3 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.043 | 14% | 0.144 | C | C | . | . | trans | -75.4 | 132.7 | 179 | 169.9 | 38.1 | 0 | 0 | 0 | 112.5 | E43 L97 T98 R99 M323 | E43-D95 HydrophobicContact CG-CB 4.07Å; E43-D95 PolarHBondContact OE2-N 3.37Å; D95-L97 PolarHBondContact OD1-N 3.11Å; D95-T98 VanDerWaalsContact OD2-CB 3.3Å; D95-T98 WeakPolarHBondContact OD2-CB 3.25Å; D95-T98 PolarHBondContact OD2-N 3.15Å; D95-T98 PolarHBondContact OD2-OG1 3.22Å; D95-R99 PolarHBondContact O-N 3.04Å; D95-R99 VanDerWaalsContact O-N 3.14Å; D95-M323 HydrophobicContact CB-CE 4.44Å | ||
| 96 | E | 87.2 | Confident | 92.3 | Very high | 66 Ų | 66 | 29.4 Ų | 29.4 | 31% | 0.308 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -72.3 | -36 | 177.3 | -168.6 | -175.8 | 138.2 | 0 | 0 | 112.6 | T98 R99 Y100 A178 F326 R328 | E96-T98 VanDerWaalsContact C-N 3.28Å; E96-T98 PolarHBondContact O-N 2.74Å; E96-R99 VanDerWaalsContact CB-NH2 3.33Å; E96-R99 PolarHBondContact O-N 3.14Å; E96-R99 VanDerWaalsContact O-N 3.11Å; E96-Y100 PolarHBondContact O-N 2.87Å; E96-A178 HydrophobicContact CG-CB 4.39Å; E96-A178 WeakPolarHBondContact OE1-CB 3.37Å; E96-F326 HydrophobicContact CB-CE1 3.94Å; E96-F326 HydrophobicContact CG-CE1 3.91Å; E96-F326 HydrophobicContact CG-CZ 4.12Å; E96-R328 IonicContact OE1-CZ 3.98Å; E96-R328 IonicContact OE1-NE 2.77Å; E96-R328 IonicContact OE1-NH2 2.7Å; E96-R328 PolarHBondContact OE1-NH2 3.19Å |
| 97 | L | 90.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 8% | 0.084 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -45.3 | 176.3 | 170.3 | 63.5 | 0 | 0 | 0 | 109.7 | L39 L41 D95 R99 Y100 L101 F326 | L39-L97 WeakPolarHBondContact O-CD2 3.38Å; L41-L97 HydrophobicContact CD1-CD2 4.09Å; L41-L97 HydrophobicContact CD1-CG 4.19Å; D95-L97 PolarHBondContact OD1-N 3.11Å; L97-R99 PolarHBondContact O-N 2.97Å; L97-Y100 HydrophobicContact CD1-CD1 4.37Å; L97-Y100 PolarHBondContact O-N 3.27Å; L97-L101 HydrophobicContact CD1-CD1 4.05Å; L97-L101 HydrophobicContact CD1-CG 4.02Å; L97-L101 HydrophobicContact CG-CD1 3.97Å; L97-L101 HydrophobicContact CG-CG 4.38Å; L97-L101 WeakPolarHBondContact O-CB 3.32Å; L97-L101 VanDerWaalsContact O-CG 3.28Å; L97-L101 WeakPolarHBondContact O-CG 3.43Å; L97-L101 PolarHBondContact O-N 3.27Å; L97-F326 HydrophobicContact CB-CD1 3.69Å; L97-F326 HydrophobicContact CB-CE1 3.97Å; L97-F326 HydrophobicContact CB-CG 4.01Å; L97-F326 HydrophobicContact CB-CZ 4.49Å; L97-F326 HydrophobicContact CD1-CB 4.21Å; L97-F326 HydrophobicContact CD1-CD1 4.37Å; L97-F326 HydrophobicContact CD1-CD2 3.72Å; L97-F326 HydrophobicContact CD1-CE2 4.16Å; L97-F326 HydrophobicContact CD1-CG 3.83Å; L97-F326 HydrophobicContact CG-CG 4.43Å |
| 98 | T | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.6 | -45.3 | 173.2 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | L41 E43 Y46 F47 L93 D95 E96 L101 F102 | L41-T98 VanDerWaalsContact CD1-OG1 3.29Å; L41-T98 WeakPolarHBondContact CD1-OG1 3.49Å; E43-T98 HydrophobicContact CB-CG2 3.79Å; E43-T98 WeakPolarHBondContact CB-OG1 3.29Å; E43-T98 HydrophobicContact CG-CG2 4.23Å; Y46-T98 HydrophobicContact CD2-CG2 4.49Å; F47-T98 HydrophobicContact CE2-CG2 4.14Å; F47-T98 HydrophobicContact CZ-CG2 4.34Å; L93-T98 HydrophobicContact CB-CG2 4.26Å; L93-T98 HydrophobicContact CD1-CG2 3.78Å; L93-T98 HydrophobicContact CG-CG2 4.41Å; D95-T98 VanDerWaalsContact OD2-CB 3.3Å; D95-T98 WeakPolarHBondContact OD2-CB 3.25Å; D95-T98 PolarHBondContact OD2-N 3.15Å; D95-T98 PolarHBondContact OD2-OG1 3.22Å; E96-T98 VanDerWaalsContact C-N 3.28Å; E96-T98 PolarHBondContact O-N 2.74Å; T98-L101 PolarHBondContact O-N 2.9Å; T98-F102 HydrophobicContact CG2-CD2 4.25Å; T98-F102 HydrophobicContact CG2-CE2 4.39Å; T98-F102 WeakPolarHBondContact O-CD2 3.29Å; T98-F102 PolarHBondContact O-N 3.03Å |
| 99 | R | 94 | Very high | 92.3 | Very high | 43 Ų | 43 | 32 Ų | 32 | 16% | 0.162 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 174.5 | -69.6 | -170.1 | -58.1 | -90 | -2.3 | 112.3 | L93 E94 D95 E96 L97 L101 F102 A103 L185 | L93-R99 HydrophobicContact CB-CG 3.97Å; L93-R99 PolarHBondContact O-NH1 3.33Å; E94-R99 PolarHBondContact O-NH1 3.03Å; D95-R99 PolarHBondContact O-N 3.04Å; D95-R99 VanDerWaalsContact O-N 3.14Å; E96-R99 VanDerWaalsContact CB-NH2 3.33Å; E96-R99 PolarHBondContact O-N 3.14Å; E96-R99 VanDerWaalsContact O-N 3.11Å; L97-R99 PolarHBondContact O-N 2.97Å; R99-L101 PolarHBondContact O-N 2.99Å; R99-F102 WeakPolarHBondContact O-CB 3.45Å; R99-F102 PolarHBondContact O-N 2.97Å; R99-F102 VanDerWaalsContact O-N 3.16Å; R99-A103 PolarHBondContact O-N 3.28Å; R99-L185 HydrophobicContact CB-CD1 3.97Å; R99-L185 HydrophobicContact CG-CD1 4.28Å |
| 100 | Y | 94.6 | Very high | 92.3 | Very high | 26 Ų | 26 | 28.4 Ų | 28.4 | 10% | 0.102 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 177.6 | 170.5 | -113.4 | 0 | 0 | 0 | 112.4 | E96 L97 F102 A103 L104 F326 R328 S329 | E96-Y100 PolarHBondContact O-N 2.87Å; L97-Y100 HydrophobicContact CD1-CD1 4.37Å; L97-Y100 PolarHBondContact O-N 3.27Å; Y100-F102 VanDerWaalsContact C-N 3.32Å; Y100-F102 PolarHBondContact O-N 2.68Å; Y100-A103 WeakPolarHBondContact O-CB 3.48Å; Y100-A103 PolarHBondContact O-N 2.93Å; Y100-A103 VanDerWaalsContact O-N 3.1Å; Y100-L104 HydrophobicContact CD1-CD1 4.16Å; Y100-L104 HydrophobicContact CD2-CG 4.48Å; Y100-L104 HydrophobicContact CE1-CD1 3.62Å; Y100-L104 HydrophobicContact CE1-CG 4.35Å; Y100-L104 HydrophobicContact CE2-CD1 4.22Å; Y100-L104 HydrophobicContact CE2-CD2 4.25Å; Y100-L104 HydrophobicContact CE2-CG 4.09Å; Y100-L104 WeakPolarHBondContact O-CG 3.47Å; Y100-L104 PolarHBondContact O-N 2.89Å; Y100-F326 HydrophobicContact CD1-CD2 4.17Å; Y100-F326 AromaticContact CD1-CE2 3.44Å; Y100-F326 HydrophobicContact CD1-CE2 3.44Å; Y100-F326 VanDerWaalsContact CD1-CE2 3.44Å; Y100-F326 HydrophobicContact CD1-CZ 4.22Å; Y100-F326 HydrophobicContact CE1-CE2 4.06Å; Y100-F326 AromaticContact CG-CE2 3.74Å; Y100-F326 HydrophobicContact CG-CE2 3.74Å; Y100-F326 HydrophobicContact CG-CZ 4.12Å; Y100-R328 HydrophobicContact CD2-CG 4.43Å; Y100-R328 HydrophobicContact CE1-CG 4.49Å; Y100-R328 HydrophobicContact CE2-CB 4.49Å; Y100-R328 HydrophobicContact CE2-CG 4.15Å; Y100-S329 PolarHBondContact OH-N 3.45Å |
| 101 | L | 95.4 | Very high | 92.1 | Very high | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -37.3 | 174.2 | -68 | 170.6 | 0 | 0 | 0 | 111.7 | L13 L41 F47 F81 L97 T98 R99 L104 Q105 | L13-L101 HydrophobicContact CB-CD2 4.31Å; L13-L101 HydrophobicContact CD1-CB 4.02Å; L13-L101 HydrophobicContact CD1-CD2 4.12Å; L41-L101 HydrophobicContact CD1-CD1 3.76Å; L41-L101 HydrophobicContact CD2-CD1 4.03Å; L41-L101 HydrophobicContact CG-CD1 4.5Å; F47-L101 HydrophobicContact CE1-CB 3.73Å; F47-L101 HydrophobicContact CE1-CD1 4.4Å; F47-L101 HydrophobicContact CZ-CB 3.7Å; F47-L101 HydrophobicContact CZ-CD1 4.12Å; F81-L101 HydrophobicContact CE1-CD1 4.45Å; L97-L101 HydrophobicContact CD1-CD1 4.05Å; L97-L101 HydrophobicContact CD1-CG 4.02Å; L97-L101 HydrophobicContact CG-CD1 3.97Å; L97-L101 HydrophobicContact CG-CG 4.38Å; L97-L101 WeakPolarHBondContact O-CB 3.32Å; L97-L101 VanDerWaalsContact O-CG 3.28Å; L97-L101 WeakPolarHBondContact O-CG 3.43Å; L97-L101 PolarHBondContact O-N 3.27Å; T98-L101 PolarHBondContact O-N 2.9Å; R99-L101 PolarHBondContact O-N 2.99Å; L101-L104 HydrophobicContact CD2-CD1 4.42Å; L101-L104 PolarHBondContact O-N 3.3Å; L101-Q105 PolarHBondContact O-N 3.34Å |
| 102 | F | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.9 | -37.6 | 170.5 | -97.3 | -95.3 | 0 | 0 | 0 | 112.5 | Y46 F47 V83 Y86 T87 P90 L93 T98 R99 Y100 Q105 I106 L185 | Y46-F102 HydrophobicContact CD1-CZ 4.47Å; Y46-F102 HydrophobicContact CG-CE2 4.21Å; Y46-F102 HydrophobicContact CG-CZ 4.34Å; F47-F102 HydrophobicContact CE1-CD2 4.38Å; F47-F102 HydrophobicContact CE1-CE2 4.48Å; F47-F102 HydrophobicContact CE2-CE2 4.34Å; F47-F102 AromaticContact CZ-CD2 3.83Å; F47-F102 HydrophobicContact CZ-CD2 3.83Å; F47-F102 AromaticContact CZ-CE2 3.92Å; F47-F102 HydrophobicContact CZ-CE2 3.92Å; V83-F102 HydrophobicContact CG1-CE1 3.76Å; V83-F102 HydrophobicContact CG1-CE2 4.39Å; V83-F102 HydrophobicContact CG1-CZ 3.65Å; V83-F102 HydrophobicContact CG2-CD1 4.35Å; V83-F102 HydrophobicContact CG2-CD2 4.35Å; V83-F102 HydrophobicContact CG2-CE1 4.27Å; V83-F102 HydrophobicContact CG2-CE2 4.26Å; V83-F102 HydrophobicContact CG2-CG 4.4Å; V83-F102 HydrophobicContact CG2-CZ 4.22Å; Y86-F102 HydrophobicContact CD1-CE1 4.43Å; T87-F102 HydrophobicContact CG2-CE1 4.23Å; T87-F102 HydrophobicContact CG2-CZ 4.14Å; P90-F102 HydrophobicContact CB-CD1 3.98Å; P90-F102 HydrophobicContact CB-CE1 4.37Å; P90-F102 HydrophobicContact CB-CG 4.47Å; L93-F102 HydrophobicContact CD1-CD2 3.61Å; L93-F102 HydrophobicContact CD1-CE2 3.66Å; L93-F102 HydrophobicContact CD1-CG 4.14Å; L93-F102 HydrophobicContact CD1-CZ 4.22Å; T98-F102 HydrophobicContact CG2-CD2 4.25Å; T98-F102 HydrophobicContact CG2-CE2 4.39Å; T98-F102 WeakPolarHBondContact O-CD2 3.29Å; T98-F102 PolarHBondContact O-N 3.03Å; R99-F102 WeakPolarHBondContact O-CB 3.45Å; R99-F102 PolarHBondContact O-N 2.97Å; R99-F102 VanDerWaalsContact O-N 3.16Å; Y100-F102 VanDerWaalsContact C-N 3.32Å; Y100-F102 PolarHBondContact O-N 2.68Å; F102-Q105 WeakPolarHBondContact O-CB 3.27Å; F102-Q105 PolarHBondContact O-N 3.38Å; F102-I106 WeakPolarHBondContact O-CG1 3.48Å; F102-I106 PolarHBondContact O-N 2.69Å; F102-L185 HydrophobicContact CB-CD1 4.17Å; F102-L185 HydrophobicContact CB-CD2 3.97Å |
| 103 | A | 96.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.4 | -41.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R99 Y100 I106 K107 D181 L184 | R99-A103 PolarHBondContact O-N 3.28Å; Y100-A103 WeakPolarHBondContact O-CB 3.48Å; Y100-A103 PolarHBondContact O-N 2.93Å; Y100-A103 VanDerWaalsContact O-N 3.1Å; A103-I106 PolarHBondContact O-N 2.91Å; A103-K107 PolarHBondContact O-N 3.5Å; A103-D181 HydrophobicContact CB-CB 4.31Å; A103-D181 WeakPolarHBondContact CB-OD1 3.23Å; A103-L184 HydrophobicContact CB-CD1 4.43Å; A103-L184 HydrophobicContact CB-CD2 4.2Å |
| 104 | L | 95.1 | Very high | 91.7 | Very high | 25 Ų | 25 | 36.7 Ų | 36.7 | 13% | 0.131 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 172.1 | -70.9 | 176.6 | 0 | 0 | 0 | 112.5 | L13 D14 Y100 L101 I106 K107 I108 | L13-L104 HydrophobicContact CB-CB 3.96Å; L13-L104 HydrophobicContact CB-CD1 4.17Å; D14-L104 HydrophobicContact CB-CD1 4.08Å; Y100-L104 HydrophobicContact CD1-CD1 4.16Å; Y100-L104 HydrophobicContact CD2-CG 4.48Å; Y100-L104 HydrophobicContact CE1-CD1 3.62Å; Y100-L104 HydrophobicContact CE1-CG 4.35Å; Y100-L104 HydrophobicContact CE2-CD1 4.22Å; Y100-L104 HydrophobicContact CE2-CD2 4.25Å; Y100-L104 HydrophobicContact CE2-CG 4.09Å; Y100-L104 WeakPolarHBondContact O-CG 3.47Å; Y100-L104 PolarHBondContact O-N 2.89Å; L101-L104 HydrophobicContact CD2-CD1 4.42Å; L101-L104 PolarHBondContact O-N 3.3Å; L104-I106 VanDerWaalsContact C-N 3.31Å; L104-I106 PolarHBondContact O-N 3.46Å; L104-K107 WeakPolarHBondContact O-CB 3.27Å; L104-K107 PolarHBondContact O-N 2.92Å; L104-I108 WeakPolarHBondContact O-CG1 3.25Å; L104-I108 PolarHBondContact O-N 2.67Å; L104-I108 VanDerWaalsContact O-N 3.08Å |
| 105 | Q | 96 | Very high | 92.1 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.009 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.7 | -44.2 | 172.5 | 177 | 66.5 | 65 | 0 | 0 | 111.5 | L13 V83 Y86 L101 F102 K107 I108 D109 | L13-Q105 HydrophobicContact CD2-CB 4.24Å; V83-Q105 HydrophobicContact CB-CG 3.84Å; V83-Q105 HydrophobicContact CG2-CB 3.74Å; V83-Q105 HydrophobicContact CG2-CG 3.59Å; Y86-Q105 HydrophobicContact CE1-CG 3.97Å; Y86-Q105 WeakPolarHBondContact OH-CG 3.4Å; Y86-Q105 PolarHBondContact OH-NE2 3.27Å; Y86-Q105 VanDerWaalsContact OH-NE2 3.14Å; L101-Q105 PolarHBondContact O-N 3.34Å; F102-Q105 WeakPolarHBondContact O-CB 3.27Å; F102-Q105 PolarHBondContact O-N 3.38Å; Q105-K107 PolarHBondContact O-N 2.91Å; Q105-I108 WeakPolarHBondContact O-CB 3.37Å; Q105-I108 PolarHBondContact O-N 3.24Å; Q105-I108 VanDerWaalsContact O-N 3.09Å; Q105-D109 PolarHBondContact NE2-OD1 3.32Å; Q105-D109 PolarHBondContact NE2-OD2 2.83Å; Q105-D109 PolarHBondContact O-N 3.07Å |
| 106 | I | 95.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.4 | -35 | 177.4 | -68.9 | -52.1 | 0 | 0 | 0 | 112.3 | F102 A103 L104 I108 D109 L110 L115 L184 L185 V188 Y194 | F102-I106 WeakPolarHBondContact O-CG1 3.48Å; F102-I106 PolarHBondContact O-N 2.69Å; A103-I106 PolarHBondContact O-N 2.91Å; L104-I106 VanDerWaalsContact C-N 3.31Å; L104-I106 PolarHBondContact O-N 3.46Å; I106-I108 VanDerWaalsContact C-N 3.29Å; I106-I108 PolarHBondContact O-N 3.08Å; I106-D109 PolarHBondContact O-N 2.93Å; I106-L110 VanDerWaalsContact O-CB 3.23Å; I106-L110 WeakPolarHBondContact O-CB 3.44Å; I106-L110 PolarHBondContact O-N 3.24Å; I106-L115 HydrophobicContact CG2-CD2 4.04Å; I106-L184 HydrophobicContact CB-CD2 4.07Å; I106-L184 HydrophobicContact CG1-CD2 4.43Å; I106-L184 HydrophobicContact CG2-CD2 3.87Å; I106-L185 HydrophobicContact CG1-CD2 4.48Å; I106-V188 HydrophobicContact CD1-CG1 4.41Å; I106-V188 HydrophobicContact CD1-CG2 3.9Å; I106-V188 HydrophobicContact CG1-CG1 4.12Å; I106-V188 HydrophobicContact CG1-CG2 4.15Å; I106-V188 HydrophobicContact CG2-CB 4.43Å; I106-V188 HydrophobicContact CG2-CG2 3.83Å; I106-Y194 HydrophobicContact CD1-CD2 3.94Å; I106-Y194 HydrophobicContact CD1-CE2 3.92Å |
| 107 | K | 94.1 | Very high | 92.2 | Very high | 44 Ų | 44 | 35.3 Ų | 35.3 | 19% | 0.191 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.7 | -42.8 | 168.8 | -176.5 | 178.7 | -176.5 | 174.7 | 0 | 111.7 | A103 L104 Q105 R111 I129 L151 H152 | A103-K107 PolarHBondContact O-N 3.5Å; L104-K107 WeakPolarHBondContact O-CB 3.27Å; L104-K107 PolarHBondContact O-N 2.92Å; Q105-K107 PolarHBondContact O-N 2.91Å; K107-R111 VanDerWaalsContact O-CB 3.23Å; K107-R111 WeakPolarHBondContact O-CB 3.42Å; K107-R111 PolarHBondContact O-N 3.21Å; K107-I129 HydrophobicContact CB-CD1 3.87Å; K107-I129 HydrophobicContact CD-CG2 3.88Å; K107-I129 HydrophobicContact CG-CD1 4.11Å; K107-I129 HydrophobicContact CG-CG2 4.34Å; K107-L151 WeakPolarHBondContact CE-O 3.23Å; K107-L151 PolarHBondContact NZ-O 3.2Å; K107-H152 WeakPolarHBondContact CE-O 3.48Å |
| 108 | I | 93.4 | Very high | 92.2 | Very high | 64 Ų | 64 | 38.2 Ų | 38.2 | 33% | 0.328 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.4 | -43.5 | 178.3 | -65.8 | 164.9 | 0 | 0 | 0 | 111 | L13 L104 Q105 I106 L110 S112 | L13-I108 HydrophobicContact CD2-CD1 3.73Å; L104-I108 WeakPolarHBondContact O-CG1 3.25Å; L104-I108 PolarHBondContact O-N 2.67Å; L104-I108 VanDerWaalsContact O-N 3.08Å; Q105-I108 WeakPolarHBondContact O-CB 3.37Å; Q105-I108 PolarHBondContact O-N 3.24Å; Q105-I108 VanDerWaalsContact O-N 3.09Å; I106-I108 VanDerWaalsContact C-N 3.29Å; I106-I108 PolarHBondContact O-N 3.08Å; I108-L110 VanDerWaalsContact C-N 3.35Å; I108-L110 PolarHBondContact O-N 2.76Å; I108-S112 VanDerWaalsContact O-CB 3.27Å; I108-S112 WeakPolarHBondContact O-CB 3.4Å; I108-S112 PolarHBondContact O-N 3.37Å; I108-S112 PolarHBondContact O-OG 3.13Å |
| 109 | D | 93.1 | Very high | 92 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.2 | -31.7 | 179.7 | -67.2 | -41.1 | 0 | 0 | 0 | 112.8 | Y86 Q105 I106 S112 G113 R114 L115 | Y86-D109 PolarHBondContact OH-OD2 3.22Å; Q105-D109 PolarHBondContact NE2-OD1 3.32Å; Q105-D109 PolarHBondContact NE2-OD2 2.83Å; Q105-D109 PolarHBondContact O-N 3.07Å; I106-D109 PolarHBondContact O-N 2.93Å; D109-S112 WeakPolarHBondContact CA-OG 3.41Å; D109-S112 PolarHBondContact O-OG 3.16Å; D109-G113 PolarHBondContact O-N 2.65Å; D109-R114 HydrophobicContact CB-CB 4.37Å; D109-R114 PolarHBondContact O-N 2.81Å; D109-R114 WeakPolarHBondContact OD1-CD 3.48Å; D109-R114 IonicContact OD1-CZ 2.82Å; D109-R114 IonicContact OD1-NE 3.98Å; D109-R114 IonicContact OD1-NH1 2.75Å; D109-R114 PolarHBondContact OD1-NH1 3.4Å; D109-L115 HydrophobicContact CB-CB 4.19Å; D109-L115 PolarHBondContact O-N 3Å |
| 110 | L | 91.8 | Very high | 91.9 | Very high | 9 Ų | 9 | 43.9 Ų | 43.9 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.6 | -50.6 | 172.7 | -170.3 | 70.9 | 0 | 0 | 0 | 111.3 | I106 I108 S112 G113 L115 A122 L125 I129 L154 | I106-L110 VanDerWaalsContact O-CB 3.23Å; I106-L110 WeakPolarHBondContact O-CB 3.44Å; I106-L110 PolarHBondContact O-N 3.24Å; I108-L110 VanDerWaalsContact C-N 3.35Å; I108-L110 PolarHBondContact O-N 2.76Å; L110-S112 VanDerWaalsContact C-N 3.25Å; L110-S112 PolarHBondContact O-N 2.97Å; L110-G113 PolarHBondContact O-N 2.83Å; L110-L115 HydrophobicContact CB-CD2 4.5Å; L110-L115 HydrophobicContact CD1-CD2 4.22Å; L110-A122 HydrophobicContact CD1-CB 4.33Å; L110-L125 HydrophobicContact CD2-CB 4.3Å; L110-I129 HydrophobicContact CD2-CD1 4.32Å; L110-L154 HydrophobicContact CD1-CD2 4.18Å; L110-L154 HydrophobicContact CD2-CD2 3.65Å; L110-L154 HydrophobicContact CG-CD2 3.66Å |
| 111 | R | 90.2 | Very high | 91.9 | Very high | 118 Ų | 118 | 44.3 Ų | 44.3 | 45% | 0.445 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.2 | -31.1 | 177.5 | -174.9 | -171.3 | 172.4 | -176.9 | -0.3 | 112.9 | K107 G113 H152 N155 | K107-R111 VanDerWaalsContact O-CB 3.23Å; K107-R111 WeakPolarHBondContact O-CB 3.42Å; K107-R111 PolarHBondContact O-N 3.21Å; R111-G113 VanDerWaalsContact C-N 3.34Å; R111-H152 WeakPolarHBondContact CD-O 3.44Å; R111-H152 PolarHBondContact NH2-CD2 3.23Å; R111-N155 WeakPolarHBondContact O-CB 3.4Å |
| 112 | S | 89.2 | Confident | 91.7 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 43% | 0.434 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -1 | 177 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | I108 D109 L110 R114 | I108-S112 VanDerWaalsContact O-CB 3.27Å; I108-S112 WeakPolarHBondContact O-CB 3.4Å; I108-S112 PolarHBondContact O-N 3.37Å; I108-S112 PolarHBondContact O-OG 3.13Å; D109-S112 WeakPolarHBondContact CA-OG 3.41Å; D109-S112 PolarHBondContact O-OG 3.16Å; L110-S112 VanDerWaalsContact C-N 3.25Å; L110-S112 PolarHBondContact O-N 2.97Å; S112-R114 PolarHBondContact O-N 3.16Å |
| 113 | G | 86 | Confident | 91.6 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 31% | 0.309 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 11.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D109 L110 R111 Q116 | D109-G113 PolarHBondContact O-N 2.65Å; L110-G113 PolarHBondContact O-N 2.83Å; R111-G113 VanDerWaalsContact C-N 3.34Å; G113-Q116 WeakPolarHBondContact O-CG 3.33Å |
| 114 | R | 86.7 | Confident | 91.6 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 35% | 0.347 | 26% | 0.255 | S | S | . | . | trans | -71.3 | -39.1 | 175.8 | -175.1 | -177.8 | -65.1 | 151.3 | -4.7 | 111.1 | D109 S112 Q116 | D109-R114 HydrophobicContact CB-CB 4.37Å; D109-R114 PolarHBondContact O-N 2.81Å; D109-R114 WeakPolarHBondContact OD1-CD 3.48Å; D109-R114 IonicContact OD1-CZ 2.82Å; D109-R114 IonicContact OD1-NE 3.98Å; D109-R114 IonicContact OD1-NH1 2.75Å; D109-R114 PolarHBondContact OD1-NH1 3.4Å; S112-R114 PolarHBondContact O-N 3.16Å; R114-Q116 PolarHBondContact O-N 3.32Å | ||
| 115 | L | 90.1 | Very high | 91.6 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -87.4 | 77.6 | 175.3 | -176.4 | 70.8 | 0 | 0 | 0 | 110.3 | I106 D109 L110 L125 V188 I191 | I106-L115 HydrophobicContact CG2-CD2 4.04Å; D109-L115 HydrophobicContact CB-CB 4.19Å; D109-L115 PolarHBondContact O-N 3Å; L110-L115 HydrophobicContact CB-CD2 4.5Å; L110-L115 HydrophobicContact CD1-CD2 4.22Å; L115-L125 HydrophobicContact CD2-CD1 3.92Å; L115-V188 HydrophobicContact CD1-CG2 4.08Å; L115-V188 HydrophobicContact CD2-CG2 3.54Å; L115-V188 HydrophobicContact CG-CG2 4.47Å; L115-I191 HydrophobicContact CD1-CB 4.3Å; L115-I191 HydrophobicContact CD1-CD1 4.33Å; L115-I191 HydrophobicContact CD1-CG2 3.9Å; L115-I191 HydrophobicContact CD2-CD1 4.44Å; L115-I191 HydrophobicContact CG-CD1 4.49Å |
| 116 | Q | 85.9 | Confident | 91.6 | Very high | 140 Ų | 140 | 45.6 Ų | 45.6 | 65% | 0.654 | 25% | 0.249 | S | C | * | . | trans | -73 | 131.9 | 174.5 | -48.5 | 179.7 | -34 | 0 | 0 | 110 | G113 R114 L193 | G113-Q116 WeakPolarHBondContact O-CG 3.33Å; R114-Q116 PolarHBondContact O-N 3.32Å; Q116-L193 HydrophobicContact CB-CD1 3.82Å; Q116-L193 HydrophobicContact CG-CD1 4.15Å | ||
| 117 | C | 88.3 | Confident | 91.5 | Very high | 42 Ų | 42 | 45.5 Ų | 45.5 | 28% | 0.284 | 25% | 0.248 | S | C | . | . | trans | -155.8 | 171.2 | 177.3 | 55.8 | 0 | 0 | 0 | 0 | 109.8 | T121 I191 | C117-T121 HydrophobicContact CB-CG2 4.36Å; C117-I191 HydrophobicContact CB-CD1 3.9Å; C117-I191 HydrophobicContact CB-CG1 4.39Å; C117-I191 HydrophobicContact CB-CG2 4Å | ||
| 118 | S | 90.9 | Very high | 91.7 | Very high | 76 Ų | 76 | 44.1 Ų | 44.1 | 53% | 0.531 | 24% | 0.242 | S | C | . | . | trans | -60.6 | 145.3 | 173.9 | 31 | 0 | 0 | 0 | 0 | 111.9 | S120 T121 A122 | S118-S120 VanDerWaalsContact C-N 3.33Å; S118-S120 PolarHBondContact O-N 2.73Å; S118-T121 WeakPolarHBondContact O-CA 3.01Å; S118-T121 VanDerWaalsContact O-CB 3.28Å; S118-T121 WeakPolarHBondContact O-CB 3.39Å; S118-T121 PolarHBondContact O-N 3.44Å; S118-T121 PolarHBondContact OG-OG1 3.3Å; S118-A122 PolarHBondContact O-N 2.96Å | ||
| 119 | E | 89.2 | Confident | 91.7 | Very high | 73 Ų | 73 | 42 Ų | 42 | 34% | 0.341 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -47.7 | -50 | -179.5 | 164.4 | 170.1 | -139.5 | 0 | 0 | 113.1 | T121 A122 A123 M161 K164 | E119-T121 PolarHBondContact O-N 3.28Å; E119-A122 WeakPolarHBondContact O-CB 3.38Å; E119-A122 PolarHBondContact O-N 3.44Å; E119-A122 VanDerWaalsContact O-N 3.09Å; E119-A123 WeakPolarHBondContact O-CB 3.24Å; E119-A123 PolarHBondContact O-N 2.68Å; E119-M161 HydrophobicContact CB-CE 4.03Å; E119-M161 HydrophobicContact CG-CE 3.55Å; E119-M161 HydrophobicContact CG-SD 3.96Å; E119-K164 HydrophobicContact CG-CD 4.02Å; E119-K164 WeakPolarHBondContact OE1-CD 3.32Å; E119-K164 IonicContact OE1-NZ 2.75Å; E119-K164 PolarHBondContact OE1-NZ 3.27Å; E119-K164 IonicContact OE2-NZ 2.74Å; E119-K164 PolarHBondContact OE2-NZ 2.85Å |
| 120 | S | 92.2 | Very high | 91.8 | Very high | 90 Ų | 90 | 41.8 Ų | 41.8 | 63% | 0.629 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -60 | -29.9 | 178.9 | -40.3 | 0 | 0 | 0 | 0 | 113 | S118 L124 | S118-S120 VanDerWaalsContact C-N 3.33Å; S118-S120 PolarHBondContact O-N 2.73Å; S120-L124 WeakPolarHBondContact O-CB 3.45Å; S120-L124 PolarHBondContact O-N 2.86Å; S120-L124 VanDerWaalsContact O-N 3.11Å |
| 121 | T | 93.3 | Very high | 91.9 | Very high | 34 Ų | 34 | 41.4 Ų | 41.4 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -78.3 | -40.3 | 175.8 | -45.2 | 0 | 0 | 0 | 0 | 111.4 | C117 S118 E119 A123 L124 L125 I191 | C117-T121 HydrophobicContact CB-CG2 4.36Å; S118-T121 WeakPolarHBondContact O-CA 3.01Å; S118-T121 VanDerWaalsContact O-CB 3.28Å; S118-T121 WeakPolarHBondContact O-CB 3.39Å; S118-T121 PolarHBondContact O-N 3.44Å; S118-T121 PolarHBondContact OG-OG1 3.3Å; E119-T121 PolarHBondContact O-N 3.28Å; T121-A123 VanDerWaalsContact C-N 3.32Å; T121-L124 PolarHBondContact O-N 3.31Å; T121-L125 WeakPolarHBondContact O-CB 3.46Å; T121-L125 WeakPolarHBondContact O-CG 3.37Å; T121-L125 PolarHBondContact O-N 3.44Å; T121-I191 HydrophobicContact CG2-CD1 3.83Å; T121-I191 HydrophobicContact CG2-CG1 4.32Å |
| 122 | A | 93.1 | Very high | 92.1 | Very high | 10 Ų | 10 | 36.5 Ų | 36.5 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L110 S118 E119 L125 A126 L154 | L110-A122 HydrophobicContact CD1-CB 4.33Å; S118-A122 PolarHBondContact O-N 2.96Å; E119-A122 WeakPolarHBondContact O-CB 3.38Å; E119-A122 PolarHBondContact O-N 3.44Å; E119-A122 VanDerWaalsContact O-N 3.09Å; A122-L125 PolarHBondContact O-N 2.94Å; A122-A126 VanDerWaalsContact O-CB 3.25Å; A122-A126 WeakPolarHBondContact O-CB 3.25Å; A122-A126 PolarHBondContact O-N 3.11Å; A122-L154 HydrophobicContact CB-CD2 4.45Å |
| 123 | A | 93.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.7 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E119 T121 A126 A127 M161 K164 I165 | E119-A123 WeakPolarHBondContact O-CB 3.24Å; E119-A123 PolarHBondContact O-N 2.68Å; T121-A123 VanDerWaalsContact C-N 3.32Å; A123-A126 PolarHBondContact O-N 2.85Å; A123-A127 WeakPolarHBondContact O-CB 3.32Å; A123-A127 PolarHBondContact O-N 3.38Å; A123-M161 HydrophobicContact CB-SD 4.2Å; A123-K164 HydrophobicContact CB-CB 4.01Å; A123-I165 HydrophobicContact CB-CG1 3.94Å |
| 124 | L | 95.5 | Very high | 92.2 | Very high | 59 Ų | 59 | 38.4 Ų | 38.4 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65 | -42.9 | 176.9 | 179.9 | 61.2 | 0 | 0 | 0 | 112.7 | S120 T121 A127 F128 | S120-L124 WeakPolarHBondContact O-CB 3.45Å; S120-L124 PolarHBondContact O-N 2.86Å; S120-L124 VanDerWaalsContact O-N 3.11Å; T121-L124 PolarHBondContact O-N 3.31Å; L124-A127 PolarHBondContact O-N 3.16Å; L124-F128 HydrophobicContact CD1-CD2 4.39Å; L124-F128 HydrophobicContact CD1-CE2 3.8Å; L124-F128 HydrophobicContact CD1-CZ 3.96Å; L124-F128 HydrophobicContact CD2-CE2 4.23Å; L124-F128 HydrophobicContact CG-CD2 4.24Å; L124-F128 HydrophobicContact CG-CE2 3.68Å; L124-F128 HydrophobicContact CG-CZ 4.3Å; L124-F128 VanDerWaalsContact O-CD2 3.24Å; L124-F128 WeakPolarHBondContact O-CD2 3.38Å; L124-F128 PolarHBondContact O-N 3.46Å |
| 125 | L | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 174.8 | -72.9 | 178.1 | 0 | 0 | 0 | 111.6 | L110 L115 T121 A122 F128 I129 L184 T187 V188 I191 | L110-L125 HydrophobicContact CD2-CB 4.3Å; L115-L125 HydrophobicContact CD2-CD1 3.92Å; T121-L125 WeakPolarHBondContact O-CB 3.46Å; T121-L125 WeakPolarHBondContact O-CG 3.37Å; T121-L125 PolarHBondContact O-N 3.44Å; A122-L125 PolarHBondContact O-N 2.94Å; L125-F128 PolarHBondContact O-N 2.81Å; L125-I129 WeakPolarHBondContact O-CG1 3.41Å; L125-I129 PolarHBondContact O-N 3.28Å; L125-I129 VanDerWaalsContact O-N 3.16Å; L125-L184 HydrophobicContact CD2-CG 4.16Å; L125-T187 HydrophobicContact CD2-CG2 3.92Å; L125-V188 HydrophobicContact CD1-CG2 4.2Å; L125-V188 HydrophobicContact CD2-CB 4.08Å; L125-I191 HydrophobicContact CD1-CD1 3.67Å |
| 126 | A | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A122 A123 F128 I129 V130 L153 I165 | A122-A126 VanDerWaalsContact O-CB 3.25Å; A122-A126 WeakPolarHBondContact O-CB 3.25Å; A122-A126 PolarHBondContact O-N 3.11Å; A123-A126 PolarHBondContact O-N 2.85Å; A126-F128 PolarHBondContact O-N 3.09Å; A126-I129 WeakPolarHBondContact O-CA 3.33Å; A126-I129 WeakPolarHBondContact O-CB 3.39Å; A126-I129 PolarHBondContact O-N 3.46Å; A126-I129 VanDerWaalsContact O-N 3.09Å; A126-V130 VanDerWaalsContact O-CG2 3.29Å; A126-V130 WeakPolarHBondContact O-CG2 3.5Å; A126-V130 PolarHBondContact O-N 2.93Å; A126-L153 HydrophobicContact CB-CB 4.25Å; A126-L153 HydrophobicContact CB-CD1 4.28Å; A126-I165 HydrophobicContact CB-CD1 3.73Å; A126-I165 HydrophobicContact CB-CG1 3.89Å; A126-I165 HydrophobicContact CB-CG2 4.31Å |
| 127 | A | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.5 | -39 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A123 L124 I129 V130 Q131 C168 H169 L172 | A123-A127 WeakPolarHBondContact O-CB 3.32Å; A123-A127 PolarHBondContact O-N 3.38Å; L124-A127 PolarHBondContact O-N 3.16Å; A127-I129 VanDerWaalsContact C-N 3.34Å; A127-I129 PolarHBondContact O-N 3.35Å; A127-V130 WeakPolarHBondContact O-CB 3.29Å; A127-V130 PolarHBondContact O-N 3.38Å; A127-Q131 WeakPolarHBondContact O-CB 3.38Å; A127-Q131 PolarHBondContact O-N 3.34Å; A127-C168 HydrophobicContact CB-CB 3.46Å; A127-C168 VanDerWaalsContact CB-CB 3.46Å; A127-H169 HydrophobicContact CB-CB 4.35Å; A127-L172 HydrophobicContact CB-CD1 3.79Å; A127-L172 WeakPolarHBondContact O-CD1 3.39Å |
| 128 | F | 97 | Very high | 92.2 | Very high | 15 Ų | 15 | 33.8 Ų | 33.8 | 7% | 0.066 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -38.2 | 170.8 | -69 | -57.2 | 0 | 0 | 0 | 112.4 | L124 L125 A126 V130 A132 L172 N183 L184 | L124-F128 HydrophobicContact CD1-CD2 4.39Å; L124-F128 HydrophobicContact CD1-CE2 3.8Å; L124-F128 HydrophobicContact CD1-CZ 3.96Å; L124-F128 HydrophobicContact CD2-CE2 4.23Å; L124-F128 HydrophobicContact CG-CD2 4.24Å; L124-F128 HydrophobicContact CG-CE2 3.68Å; L124-F128 HydrophobicContact CG-CZ 4.3Å; L124-F128 VanDerWaalsContact O-CD2 3.24Å; L124-F128 WeakPolarHBondContact O-CD2 3.38Å; L124-F128 PolarHBondContact O-N 3.46Å; L125-F128 PolarHBondContact O-N 2.81Å; A126-F128 PolarHBondContact O-N 3.09Å; F128-V130 VanDerWaalsContact C-N 3.3Å; F128-V130 PolarHBondContact O-N 3.05Å; F128-A132 VanDerWaalsContact O-CB 3.25Å; F128-A132 WeakPolarHBondContact O-CB 3.39Å; F128-A132 PolarHBondContact O-N 3.19Å; F128-L172 HydrophobicContact CD1-CD1 3.9Å; F128-L172 HydrophobicContact CD1-CD2 3.98Å; F128-L172 HydrophobicContact CE1-CD1 4.31Å; F128-L172 HydrophobicContact CE1-CD2 3.55Å; F128-L172 HydrophobicContact CG-CD1 4.5Å; F128-L172 HydrophobicContact CZ-CD2 4.29Å; F128-N183 HydrophobicContact CD1-CB 4.03Å; F128-N183 HydrophobicContact CE1-CB 3.47Å; F128-N183 VanDerWaalsContact CE1-CB 3.47Å; F128-N183 HydrophobicContact CE2-CB 4.27Å; F128-N183 HydrophobicContact CZ-CB 3.62Å; F128-L184 HydrophobicContact CB-CB 3.86Å; F128-L184 HydrophobicContact CB-CD1 4.21Å; F128-L184 HydrophobicContact CB-CG 4.48Å; F128-L184 HydrophobicContact CD2-CB 4.22Å; F128-L184 HydrophobicContact CG-CB 4.25Å |
| 129 | I | 94.7 | Very high | 91.8 | Very high | 18 Ų | 18 | 35 Ų | 35 | 9% | 0.092 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.7 | -35.3 | 174.7 | -64.3 | 165.8 | 0 | 0 | 0 | 111.2 | K107 L110 L125 A126 A127 K133 L153 L184 | K107-I129 HydrophobicContact CB-CD1 3.87Å; K107-I129 HydrophobicContact CD-CG2 3.88Å; K107-I129 HydrophobicContact CG-CD1 4.11Å; K107-I129 HydrophobicContact CG-CG2 4.34Å; L110-I129 HydrophobicContact CD2-CD1 4.32Å; L125-I129 WeakPolarHBondContact O-CG1 3.41Å; L125-I129 PolarHBondContact O-N 3.28Å; L125-I129 VanDerWaalsContact O-N 3.16Å; A126-I129 WeakPolarHBondContact O-CA 3.33Å; A126-I129 WeakPolarHBondContact O-CB 3.39Å; A126-I129 PolarHBondContact O-N 3.46Å; A126-I129 VanDerWaalsContact O-N 3.09Å; A127-I129 VanDerWaalsContact C-N 3.34Å; A127-I129 PolarHBondContact O-N 3.35Å; I129-K133 WeakPolarHBondContact O-CB 3.21Å; I129-K133 PolarHBondContact O-N 2.97Å; I129-L153 HydrophobicContact CB-CD2 4.16Å; I129-L153 HydrophobicContact CG2-CD2 3.63Å; I129-L184 HydrophobicContact CD1-CD1 4.21Å; I129-L184 HydrophobicContact CG1-CD1 3.45Å; I129-L184 VanDerWaalsContact CG1-CD1 3.45Å |
| 130 | V | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.9 | -54.7 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | A126 A127 F128 A132 K133 I134 Y147 L148 L151 L153 I165 H169 | A126-V130 VanDerWaalsContact O-CG2 3.29Å; A126-V130 WeakPolarHBondContact O-CG2 3.5Å; A126-V130 PolarHBondContact O-N 2.93Å; A127-V130 WeakPolarHBondContact O-CB 3.29Å; A127-V130 PolarHBondContact O-N 3.38Å; F128-V130 VanDerWaalsContact C-N 3.3Å; F128-V130 PolarHBondContact O-N 3.05Å; V130-A132 VanDerWaalsContact C-N 3.26Å; V130-A132 PolarHBondContact O-N 3.15Å; V130-K133 PolarHBondContact O-N 3.29Å; V130-I134 HydrophobicContact CG1-CD1 4.26Å; V130-I134 PolarHBondContact O-N 2.85Å; V130-Y147 HydrophobicContact CG1-CE2 3.97Å; V130-L148 HydrophobicContact CG1-CD2 4.1Å; V130-L148 HydrophobicContact CG2-CD2 3.58Å; V130-L151 HydrophobicContact CG1-CD1 4.23Å; V130-L151 HydrophobicContact CG2-CD1 3.83Å; V130-L153 HydrophobicContact CG2-CD1 3.56Å; V130-L153 HydrophobicContact CG2-CD2 4.3Å; V130-I165 HydrophobicContact CG2-CG2 4.25Å; V130-H169 VanDerWaalsContact CG1-CE1 3.43Å; V130-H169 WeakPolarHBondContact CG1-CE1 3.24Å; V130-H169 WeakPolarHBondContact CG1-ND1 3.36Å |
| 131 | Q | 94.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -52.6 | -43.1 | 176.6 | -177.8 | 74.5 | 33.3 | 0 | 0 | 111.5 | A127 K133 G135 D136 L172 Q175 A180 | A127-Q131 WeakPolarHBondContact O-CB 3.38Å; A127-Q131 PolarHBondContact O-N 3.34Å; Q131-K133 VanDerWaalsContact C-N 3.31Å; Q131-K133 PolarHBondContact O-N 3.41Å; Q131-G135 WeakPolarHBondContact O-CA 3.24Å; Q131-G135 PolarHBondContact O-N 3.19Å; Q131-G135 VanDerWaalsContact O-N 3.07Å; Q131-G135 PolarHBondContact OE1-O 3.06Å; Q131-D136 PolarHBondContact NE2-OD1 3.46Å; Q131-L172 HydrophobicContact CB-CB 4.43Å; Q131-L172 HydrophobicContact CB-CD1 3.99Å; Q131-L172 HydrophobicContact CG-CB 4.16Å; Q131-L172 HydrophobicContact CG-CD1 4.5Å; Q131-L172 VanDerWaalsContact OE1-CB 3.3Å; Q131-Q175 HydrophobicContact CG-CB 4.15Å; Q131-Q175 PolarHBondContact NE2-O 2.88Å; Q131-A180 HydrophobicContact CB-CB 4.18Å; Q131-A180 HydrophobicContact CG-CB 3.93Å |
| 132 | A | 92.7 | Very high | 90.1 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 12% | 0.124 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.3 | -15.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | F128 V130 P177 A180 | F128-A132 VanDerWaalsContact O-CB 3.25Å; F128-A132 WeakPolarHBondContact O-CB 3.39Å; F128-A132 PolarHBondContact O-N 3.19Å; V130-A132 VanDerWaalsContact C-N 3.26Å; V130-A132 PolarHBondContact O-N 3.15Å; A132-P177 HydrophobicContact CB-CB 4.46Å; A132-A180 HydrophobicContact CB-CB 3.92Å |
| 133 | K | 89.4 | Confident | 89.1 | Confident | 77 Ų | 77 | 47 Ų | 47 | 34% | 0.335 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -108.2 | -33.6 | 179.2 | 175.6 | 166.6 | 171 | 172.1 | 0 | 113.9 | I129 V130 Q131 L151 S331 T332 | I129-K133 WeakPolarHBondContact O-CB 3.21Å; I129-K133 PolarHBondContact O-N 2.97Å; V130-K133 PolarHBondContact O-N 3.29Å; Q131-K133 VanDerWaalsContact C-N 3.31Å; Q131-K133 PolarHBondContact O-N 3.41Å; K133-L151 HydrophobicContact CD-CD2 4.13Å; K133-S331 PolarHBondContact NZ-OG 3.37Å; K133-T332 WeakPolarHBondContact CE-OG1 3.3Å; K133-T332 PolarHBondContact NZ-OG1 2.6Å |
| 134 | I | 88.3 | Confident | 88.6 | Confident | 55 Ų | 55 | 50.9 Ų | 50.9 | 28% | 0.282 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -104.1 | -31.6 | -174.9 | -66.4 | -171.6 | 0 | 0 | 0 | 112 | V130 Y142 Y147 L151 | V130-I134 HydrophobicContact CG1-CD1 4.26Å; V130-I134 PolarHBondContact O-N 2.85Å; I134-Y142 HydrophobicContact CG2-CE2 4.19Å; I134-Y142 WeakPolarHBondContact CG2-OH 3.38Å; I134-Y147 HydrophobicContact CD1-CD2 4.12Å; I134-L151 HydrophobicContact CD1-CD1 3.85Å; I134-L151 HydrophobicContact CD1-CD2 4.24Å |
| 135 | G | 88.9 | Confident | 88 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 25% | 0.247 | 25% | 0.253 | C | S | . | . | trans | 98.8 | -155.4 | -168 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q131 H169 | Q131-G135 WeakPolarHBondContact O-CA 3.24Å; Q131-G135 PolarHBondContact O-N 3.19Å; Q131-G135 VanDerWaalsContact O-N 3.07Å; Q131-G135 PolarHBondContact OE1-O 3.06Å; G135-H169 PolarHBondContact O-NE2 3.44Å; G135-H169 VanDerWaalsContact O-NE2 3.14Å | ||
| 136 | D | 88.9 | Confident | 87.4 | Confident | 61 Ų | 61 | 52 Ų | 52 | 33% | 0.326 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -69.7 | 150.9 | -178.9 | -72.3 | -28.1 | 0 | 0 | 0 | 112.9 | Q131 L138 I173 G174 | Q131-D136 PolarHBondContact NE2-OD1 3.46Å; D136-L138 PolarHBondContact O-N 2.92Å; D136-I173 HydrophobicContact CB-CG2 4.41Å; D136-I173 WeakPolarHBondContact OD1-CA 3.31Å; D136-G174 PolarHBondContact OD1-N 2.82Å; D136-G174 PolarHBondContact OD2-N 2.95Å |
| 137 | F | 87.9 | Confident | 87.1 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 6% | 0.057 | 28% | 0.279 | C | S | . | . | trans | -67.5 | 122.6 | 172.1 | -176.6 | -83.9 | 0 | 0 | 0 | 111.4 | E139 Y142 Y147 H169 R170 | F137-E139 HydrophobicContact CE1-CB 4.35Å; F137-E139 WeakPolarHBondContact CE1-OE2 3.4Å; F137-Y142 AromaticContact CD2-CD2 3.92Å; F137-Y142 HydrophobicContact CD2-CD2 3.92Å; F137-Y142 HydrophobicContact CE2-CD2 4.2Å; F137-Y142 HydrophobicContact CE2-CG 4.35Å; F137-Y142 HydrophobicContact CG-CD2 4.24Å; F137-Y142 VanDerWaalsContact CZ-O 3.31Å; F137-Y142 WeakPolarHBondContact CZ-O 3.41Å; F137-Y147 HydrophobicContact CE2-CE1 4.14Å; F137-H169 AromaticContact CD2-ND1 3.61Å; F137-R170 HydrophobicContact CD1-CB 4Å; F137-R170 HydrophobicContact CD1-CG 3.81Å; F137-R170 HydrophobicContact CD2-CB 4.33Å; F137-R170 HydrophobicContact CE1-CB 4.29Å; F137-R170 HydrophobicContact CE1-CG 4.03Å; F137-R170 HydrophobicContact CG-CB 4.03Å; F137-R170 HydrophobicContact CG-CG 4.34Å | ||
| 138 | L | 85.7 | Confident | 86.8 | Confident | 88 Ų | 88 | 54 Ų | 54 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | trans | -110.6 | 108.6 | 177.9 | -64.7 | 173.4 | 0 | 0 | 0 | 110.2 | D136 D140 L141 Y142 | D136-L138 PolarHBondContact O-N 2.92Å; L138-D140 VanDerWaalsContact C-N 3.28Å; L138-D140 PolarHBondContact O-N 3.41Å; L138-L141 HydrophobicContact CB-CB 4.32Å; L138-L141 HydrophobicContact CB-CD1 4.32Å; L138-L141 HydrophobicContact CB-CG 4.38Å; L138-L141 HydrophobicContact CD1-CD1 3.84Å; L138-L141 PolarHBondContact O-N 3.47Å; L138-Y142 HydrophobicContact CB-CD2 4.36Å; L138-Y142 HydrophobicContact CB-CE2 4.15Å; L138-Y142 VanDerWaalsContact N-CD2 3.32Å; L138-Y142 WeakPolarHBondContact O-CD2 3.44Å; L138-Y142 PolarHBondContact O-N 3.14Å | ||
| 139 | E | 81.6 | Confident | 86 | Confident | 100 Ų | 100 | 58.9 Ų | 58.9 | 47% | 0.467 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -39.5 | -175.2 | -164.7 | 71.5 | -134.4 | 0 | 0 | 112.8 | F137 L141 R170 | F137-E139 HydrophobicContact CE1-CB 4.35Å; F137-E139 WeakPolarHBondContact CE1-OE2 3.4Å; E139-L141 VanDerWaalsContact C-N 3.27Å; E139-L141 PolarHBondContact O-N 3Å; E139-R170 VanDerWaalsContact CD-NH2 3.3Å; E139-R170 IonicContact OE1-CZ 2.68Å; E139-R170 IonicContact OE1-NE 3.71Å; E139-R170 IonicContact OE1-NH2 3.75Å; E139-R170 PolarHBondContact OE1-NH2 2.93Å; E139-R170 IonicContact OE2-CZ 3.54Å; E139-R170 IonicContact OE2-NE 2.68Å; E139-R170 PolarHBondContact OE2-NE 3.47Å; E139-R170 IonicContact OE2-NH2 3.66Å; E139-R170 PolarHBondContact OE2-NH2 3.47Å; E139-R170 VanDerWaalsContact OE2-NH2 3.11Å |
| 140 | D | 77.3 | Confident | 85.2 | Confident | 139 Ų | 139 | 60.9 Ų | 60.9 | 74% | 0.743 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -29.8 | 179.8 | -55.5 | -51.7 | 0 | 0 | 0 | 113.3 | L138 Q143 | L138-D140 VanDerWaalsContact C-N 3.28Å; L138-D140 PolarHBondContact O-N 3.41Å; D140-Q143 PolarHBondContact O-NE2 3.44Å |
| 141 | L | 79.4 | Confident | 84.5 | Confident | 118 Ų | 118 | 61.5 Ų | 61.5 | 62% | 0.618 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -25.5 | -176.2 | -61 | -177.8 | 0 | 0 | 0 | 113.4 | L138 E139 | L138-L141 HydrophobicContact CB-CB 4.32Å; L138-L141 HydrophobicContact CB-CD1 4.32Å; L138-L141 HydrophobicContact CB-CG 4.38Å; L138-L141 HydrophobicContact CD1-CD1 3.84Å; L138-L141 PolarHBondContact O-N 3.47Å; E139-L141 VanDerWaalsContact C-N 3.27Å; E139-L141 PolarHBondContact O-N 3Å |
| 142 | Y | 83.4 | Confident | 83.9 | Confident | 37 Ų | 37 | 66.5 Ų | 66.5 | 15% | 0.145 | 35% | 0.352 | C | S | . | . | trans | -117.9 | 55.9 | -172.4 | -52.6 | -36.3 | 0 | 0 | 0 | 111.4 | I134 F137 L138 D144 Y147 | I134-Y142 HydrophobicContact CG2-CE2 4.19Å; I134-Y142 WeakPolarHBondContact CG2-OH 3.38Å; F137-Y142 AromaticContact CD2-CD2 3.92Å; F137-Y142 HydrophobicContact CD2-CD2 3.92Å; F137-Y142 HydrophobicContact CE2-CD2 4.2Å; F137-Y142 HydrophobicContact CE2-CG 4.35Å; F137-Y142 HydrophobicContact CG-CD2 4.24Å; F137-Y142 VanDerWaalsContact CZ-O 3.31Å; F137-Y142 WeakPolarHBondContact CZ-O 3.41Å; L138-Y142 HydrophobicContact CB-CD2 4.36Å; L138-Y142 HydrophobicContact CB-CE2 4.15Å; L138-Y142 VanDerWaalsContact N-CD2 3.32Å; L138-Y142 WeakPolarHBondContact O-CD2 3.44Å; L138-Y142 PolarHBondContact O-N 3.14Å; Y142-D144 PolarHBondContact O-N 2.98Å; Y142-Y147 HydrophobicContact CD1-CD1 4.04Å; Y142-Y147 HydrophobicContact CD1-CD2 4.18Å; Y142-Y147 AromaticContact CD1-CG 3.82Å; Y142-Y147 HydrophobicContact CD1-CG 3.82Å; Y142-Y147 HydrophobicContact CE1-CD2 4.45Å; Y142-Y147 HydrophobicContact CE1-CG 4.4Å; Y142-Y147 HydrophobicContact CG-CD1 4.06Å; Y142-Y147 HydrophobicContact CG-CD2 4.42Å; Y142-Y147 HydrophobicContact CG-CE1 4.19Å; Y142-Y147 HydrophobicContact CG-CG 4.19Å | ||
| 143 | Q | 72.6 | Confident | 83.3 | Confident | 165 Ų | 165 | 66.2 Ų | 66.2 | 77% | 0.771 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -62.9 | -21 | -176.5 | -61.4 | 175.1 | 14.8 | 0 | 0 | 113.6 | D140 | D140-Q143 PolarHBondContact O-NE2 3.44Š|
| 144 | D | 81.9 | Confident | 83 | Confident | 84 Ų | 84 | 63.7 Ų | 63.7 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -139.6 | -173.3 | 175 | 75.4 | -4.3 | 0 | 0 | 0 | 111.2 | Y142 S146 Y147 | Y142-D144 PolarHBondContact O-N 2.98Å; D144-S146 VanDerWaalsContact C-N 3.32Å; D144-S146 VanDerWaalsContact CG-OG 3.28Å; D144-S146 WeakPolarHBondContact OD1-CB 3.34Å; D144-S146 PolarHBondContact OD1-N 2.9Å; D144-S146 PolarHBondContact OD1-OG 3.09Å; D144-S146 VanDerWaalsContact OD2-CB 3.29Å; D144-S146 WeakPolarHBondContact OD2-CB 3.15Å; D144-S146 PolarHBondContact OD2-OG 3.48Å; D144-Y147 WeakPolarHBondContact O-CD1 3.42Å; D144-Y147 VanDerWaalsContact O-CE1 3.3Å; D144-Y147 WeakPolarHBondContact O-CE1 3.49Å |
| 145 | H | 83.8 | Confident | 82.3 | Confident | 27 Ų | 27 | 66 Ų | 66 | 13% | 0.125 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -84.9 | 4 | 175.9 | 57.3 | -78.3 | 0 | 0 | 0 | 114.2 | Y147 L148 D159 L162 A166 | H145-Y147 VanDerWaalsContact C-N 3.3Å; H145-Y147 PolarHBondContact O-N 3.08Å; H145-L148 HydrophobicContact CB-CD1 4.3Å; H145-L148 WeakPolarHBondContact O-CB 3.29Å; H145-L148 WeakPolarHBondContact O-CG 3.17Å; H145-L148 PolarHBondContact O-N 3.21Å; H145-L148 VanDerWaalsContact O-N 3.15Å; H145-D159 IonicContact CD2-OD1 2.69Å; H145-D159 IonicContact CE1-OD1 3.99Å; H145-D159 PolarHBondContact CE1-OD1 3.43Å; H145-D159 IonicContact NE2-OD1 2.73Å; H145-D159 PolarHBondContact NE2-OD1 2.84Å; H145-D159 IonicContact NE2-OD2 3.33Å; H145-L162 HydrophobicContact CB-CB 4.17Å; H145-A166 HydrophobicContact CB-CB 4.1Å |
| 146 | S | 83.8 | Confident | 81.5 | Confident | 54 Ų | 54 | 73.4 Ų | 73.4 | 38% | 0.378 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -68.4 | -25.7 | -171.4 | -65.8 | 0 | 0 | 0 | 0 | 113.7 | D144 L148 F149 | D144-S146 VanDerWaalsContact C-N 3.32Å; D144-S146 VanDerWaalsContact CG-OG 3.28Å; D144-S146 WeakPolarHBondContact OD1-CB 3.34Å; D144-S146 PolarHBondContact OD1-N 2.9Å; D144-S146 PolarHBondContact OD1-OG 3.09Å; D144-S146 VanDerWaalsContact OD2-CB 3.29Å; D144-S146 WeakPolarHBondContact OD2-CB 3.15Å; D144-S146 PolarHBondContact OD2-OG 3.48Å; S146-L148 PolarHBondContact O-N 3.49Å; S146-F149 WeakPolarHBondContact O-CD2 3.2Å; S146-F149 PolarHBondContact O-N 2.75Å |
| 147 | Y | 88.1 | Confident | 80.8 | Confident | 41 Ų | 41 | 73.3 Ų | 73.3 | 16% | 0.161 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -59.3 | -19.2 | 174.2 | 73.8 | -83 | 0 | 0 | 0 | 113.4 | V130 I134 F137 Y142 D144 H145 A166 H169 | V130-Y147 HydrophobicContact CG1-CE2 3.97Å; I134-Y147 HydrophobicContact CD1-CD2 4.12Å; F137-Y147 HydrophobicContact CE2-CE1 4.14Å; Y142-Y147 HydrophobicContact CD1-CD1 4.04Å; Y142-Y147 HydrophobicContact CD1-CD2 4.18Å; Y142-Y147 AromaticContact CD1-CG 3.82Å; Y142-Y147 HydrophobicContact CD1-CG 3.82Å; Y142-Y147 HydrophobicContact CE1-CD2 4.45Å; Y142-Y147 HydrophobicContact CE1-CG 4.4Å; Y142-Y147 HydrophobicContact CG-CD1 4.06Å; Y142-Y147 HydrophobicContact CG-CD2 4.42Å; Y142-Y147 HydrophobicContact CG-CE1 4.19Å; Y142-Y147 HydrophobicContact CG-CG 4.19Å; D144-Y147 WeakPolarHBondContact O-CD1 3.42Å; D144-Y147 VanDerWaalsContact O-CE1 3.3Å; D144-Y147 WeakPolarHBondContact O-CE1 3.49Å; H145-Y147 VanDerWaalsContact C-N 3.3Å; H145-Y147 PolarHBondContact O-N 3.08Å; Y147-A166 HydrophobicContact CE1-CB 4.39Å; Y147-H169 AromaticContact CE2-ND1 3.72Å; Y147-H169 AromaticContact CZ-ND1 3.71Å; Y147-H169 PolarHBondContact OH-ND1 2.89Å |
| 148 | L | 87.6 | Confident | 80.6 | Confident | 3 Ų | 3 | 75.5 Ų | 75.5 | 2% | 0.016 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -77.7 | -25.2 | 180 | -61.4 | 175.6 | 0 | 0 | 0 | 113.8 | V130 H145 S146 G150 L151 L153 L162 I165 A166 | V130-L148 HydrophobicContact CG1-CD2 4.1Å; V130-L148 HydrophobicContact CG2-CD2 3.58Å; H145-L148 HydrophobicContact CB-CD1 4.3Å; H145-L148 WeakPolarHBondContact O-CB 3.29Å; H145-L148 WeakPolarHBondContact O-CG 3.17Å; H145-L148 PolarHBondContact O-N 3.21Å; H145-L148 VanDerWaalsContact O-N 3.15Å; S146-L148 PolarHBondContact O-N 3.49Å; L148-G150 VanDerWaalsContact C-N 3.33Å; L148-G150 PolarHBondContact O-N 3.2Å; L148-L151 HydrophobicContact CD2-CD1 4.09Å; L148-L151 WeakPolarHBondContact O-CB 3.41Å; L148-L151 PolarHBondContact O-N 3.03Å; L148-L153 HydrophobicContact CD2-CD1 4.17Å; L148-L162 HydrophobicContact CB-CD2 3.99Å; L148-L162 HydrophobicContact CD1-CB 4.29Å; L148-L162 HydrophobicContact CD1-CD2 4.18Å; L148-L162 VanDerWaalsContact CD1-O 3.29Å; L148-L162 WeakPolarHBondContact CD1-O 3.13Å; L148-I165 HydrophobicContact CD1-CB 3.87Å; L148-I165 HydrophobicContact CD1-CG2 3.64Å; L148-I165 HydrophobicContact CD2-CG2 3.98Å; L148-I165 HydrophobicContact CG-CG2 4.48Å; L148-A166 HydrophobicContact CD1-CB 4.19Å |
| 149 | F | 81.7 | Confident | 80.5 | Confident | 116 Ų | 116 | 75 Ų | 75 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -58.9 | -40.9 | -172.1 | -77.2 | -68.4 | 0 | 0 | 0 | 113 | S146 L151 L162 | S146-F149 WeakPolarHBondContact O-CD2 3.2Å; S146-F149 PolarHBondContact O-N 2.75Å; F149-L151 PolarHBondContact O-N 3.28Å; F149-L162 HydrophobicContact CD1-CD1 3.94Å; F149-L162 HydrophobicContact CE1-CD1 3.34Å; F149-L162 HydrophobicContact CE2-CD1 4.22Å; F149-L162 HydrophobicContact CZ-CD1 3.5Å |
| 150 | G | 76.2 | Confident | 80.8 | Confident | 61 Ų | 61 | 75.8 Ų | 75.8 | 63% | 0.629 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -66.6 | -17 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L148 H152 | L148-G150 VanDerWaalsContact C-N 3.33Å; L148-G150 PolarHBondContact O-N 3.2Å; G150-H152 PolarHBondContact O-ND1 2.76Å |
| 151 | L | 80.4 | Confident | 81.3 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -83.5 | -14.2 | -169.6 | -60.7 | 178.7 | 0 | 0 | 0 | 114.6 | K107 V130 K133 I134 L148 F149 L153 | K107-L151 WeakPolarHBondContact CE-O 3.23Å; K107-L151 PolarHBondContact NZ-O 3.2Å; V130-L151 HydrophobicContact CG1-CD1 4.23Å; V130-L151 HydrophobicContact CG2-CD1 3.83Å; K133-L151 HydrophobicContact CD-CD2 4.13Å; I134-L151 HydrophobicContact CD1-CD1 3.85Å; I134-L151 HydrophobicContact CD1-CD2 4.24Å; L148-L151 HydrophobicContact CD2-CD1 4.09Å; L148-L151 WeakPolarHBondContact O-CB 3.41Å; L148-L151 PolarHBondContact O-N 3.03Å; F149-L151 PolarHBondContact O-N 3.28Å; L151-L153 HydrophobicContact CB-CD1 4.17Å; L151-L153 HydrophobicContact CB-CD2 3.9Å; L151-L153 HydrophobicContact CB-CG 3.78Å; L151-L153 HydrophobicContact CD1-CD1 4.34Å; L151-L153 PolarHBondContact O-N 3.42Å |
| 152 | H | 81.9 | Confident | 81.8 | Confident | 106 Ų | 106 | 65 Ų | 65 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | trans | 51.2 | 56.3 | 177.9 | -63 | 80 | 0 | 0 | 0 | 113 | K107 R111 G150 | K107-H152 WeakPolarHBondContact CE-O 3.48Å; R111-H152 WeakPolarHBondContact CD-O 3.44Å; R111-H152 PolarHBondContact NH2-CD2 3.23Å; G150-H152 PolarHBondContact O-ND1 2.76Å | ||
| 153 | L | 81.3 | Confident | 82.1 | Confident | 9 Ų | 9 | 68.3 Ų | 68.3 | 5% | 0.047 | 36% | 0.359 | C | S | . | . | trans | -82.9 | -37.7 | -170.4 | -60.7 | 170.1 | 0 | 0 | 0 | 113.9 | A126 I129 V130 L148 L151 I165 | A126-L153 HydrophobicContact CB-CB 4.25Å; A126-L153 HydrophobicContact CB-CD1 4.28Å; I129-L153 HydrophobicContact CB-CD2 4.16Å; I129-L153 HydrophobicContact CG2-CD2 3.63Å; V130-L153 HydrophobicContact CG2-CD1 3.56Å; V130-L153 HydrophobicContact CG2-CD2 4.3Å; L148-L153 HydrophobicContact CD2-CD1 4.17Å; L151-L153 HydrophobicContact CB-CD1 4.17Å; L151-L153 HydrophobicContact CB-CD2 3.9Å; L151-L153 HydrophobicContact CB-CG 3.78Å; L151-L153 HydrophobicContact CD1-CD1 4.34Å; L151-L153 PolarHBondContact O-N 3.42Å; L153-I165 HydrophobicContact CD1-CG2 4.36Å | ||
| 154 | L | 81.8 | Confident | 83 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -129.4 | 164.4 | -171.1 | -61.7 | -179.1 | 0 | 0 | 0 | 111.9 | L110 A122 P157 M161 I165 | L110-L154 HydrophobicContact CD1-CD2 4.18Å; L110-L154 HydrophobicContact CD2-CD2 3.65Å; L110-L154 HydrophobicContact CG-CD2 3.66Å; A122-L154 HydrophobicContact CB-CD2 4.45Å; L154-P157 HydrophobicContact CB-CB 4.37Å; L154-M161 HydrophobicContact CD1-CE 4.24Å; L154-M161 HydrophobicContact CD1-CG 3.27Å; L154-M161 HydrophobicContact CD1-SD 3.66Å; L154-I165 HydrophobicContact CD1-CD1 3.9Å; L154-I165 HydrophobicContact CG-CD1 4.49Å |
| 155 | N | 73.2 | Confident | 83.5 | Confident | 104 Ų | 104 | 58.8 Ų | 58.8 | 56% | 0.556 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -79.1 | 121.1 | 163.3 | -160.8 | 10.1 | 0 | 0 | 0 | 108.8 | R111 | R111-N155 WeakPolarHBondContact O-CB 3.4Š|
| 156 | Q | 72.1 | Confident | 83.9 | Confident | 178 Ų | 178 | 58 Ų | 58 | 83% | 0.832 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 46.1 | 67.2 | 179.4 | -62.4 | -178.5 | -11.2 | 0 | 0 | 114.4 | S158 | Q156-S158 PolarHBondContact O-N 2.92Š|
| 157 | P | 75.7 | Confident | 84.3 | Confident | 59 Ų | 59 | 61.2 Ų | 61.2 | 38% | 0.383 | 32% | 0.318 | S | S | . | . | trans | -64.9 | 129.8 | 178.1 | 28.1 | -34.2 | 0 | 0 | 0 | 111.6 | L154 L162 | L154-P157 HydrophobicContact CB-CB 4.37Å; P157-L162 HydrophobicContact CB-CD1 4.42Å; P157-L162 HydrophobicContact CB-CD2 3.91Å; P157-L162 HydrophobicContact CB-CG 4.05Å; P157-L162 HydrophobicContact CG-CD2 4.49Å | ||
| 158 | S | 82.6 | Confident | 84.5 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 41% | 0.413 | 32% | 0.321 | S | S | . | . | trans | -78.2 | 157.4 | 166.4 | 65.1 | 0 | 0 | 0 | 0 | 111 | Q156 E160 M161 L162 | Q156-S158 PolarHBondContact O-N 2.92Å; S158-E160 VanDerWaalsContact C-N 3.27Å; S158-E160 PolarHBondContact O-N 2.87Å; S158-M161 WeakPolarHBondContact O-CB 3.41Å; S158-M161 PolarHBondContact O-N 3.41Å; S158-M161 VanDerWaalsContact OG-CB 3.23Å; S158-M161 WeakPolarHBondContact OG-CB 3.39Å; S158-M161 PolarHBondContact OG-N 3.26Å; S158-L162 WeakPolarHBondContact O-CG 3.49Å; S158-L162 PolarHBondContact O-N 3.06Å | ||
| 159 | D | 84.4 | Confident | 84.8 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.7 | -39.7 | 176.5 | -171.1 | 77.5 | 0 | 0 | 0 | 112.2 | H145 L162 K163 | H145-D159 IonicContact CD2-OD1 2.69Å; H145-D159 IonicContact CE1-OD1 3.99Å; H145-D159 PolarHBondContact CE1-OD1 3.43Å; H145-D159 IonicContact NE2-OD1 2.73Å; H145-D159 PolarHBondContact NE2-OD1 2.84Å; H145-D159 IonicContact NE2-OD2 3.33Å; D159-L162 PolarHBondContact O-N 2.85Å; D159-K163 WeakPolarHBondContact O-CG 3.43Å; D159-K163 PolarHBondContact O-N 2.89Å; D159-K163 VanDerWaalsContact OD2-CE 3.28Å; D159-K163 WeakPolarHBondContact OD2-CE 3.35Å; D159-K163 IonicContact OD2-NZ 2.65Å; D159-K163 PolarHBondContact OD2-NZ 2.7Å |
| 160 | E | 87.2 | Confident | 85.3 | Confident | 117 Ų | 117 | 60 Ų | 60 | 55% | 0.547 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 175.5 | -162.7 | -170.3 | 150.8 | 0 | 0 | 112.6 | S158 K163 K164 | S158-E160 VanDerWaalsContact C-N 3.27Å; S158-E160 PolarHBondContact O-N 2.87Å; E160-K163 PolarHBondContact O-N 2.83Å; E160-K164 VanDerWaalsContact CD-NZ 3.34Å; E160-K164 WeakPolarHBondContact O-CG 3.37Å; E160-K164 PolarHBondContact O-N 2.63Å; E160-K164 VanDerWaalsContact OE1-CE 3.24Å; E160-K164 WeakPolarHBondContact OE1-CE 3.46Å; E160-K164 IonicContact OE1-NZ 2.65Å; E160-K164 PolarHBondContact OE1-NZ 3.23Å |
| 161 | M | 87.4 | Confident | 86 | Confident | 27 Ų | 27 | 63 Ų | 63 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 174.5 | 175.5 | 76 | 71.7 | 0 | 0 | 111.3 | E119 A123 L154 S158 K164 I165 | E119-M161 HydrophobicContact CB-CE 4.03Å; E119-M161 HydrophobicContact CG-CE 3.55Å; E119-M161 HydrophobicContact CG-SD 3.96Å; A123-M161 HydrophobicContact CB-SD 4.2Å; L154-M161 HydrophobicContact CD1-CE 4.24Å; L154-M161 HydrophobicContact CD1-CG 3.27Å; L154-M161 HydrophobicContact CD1-SD 3.66Å; S158-M161 WeakPolarHBondContact O-CB 3.41Å; S158-M161 PolarHBondContact O-N 3.41Å; S158-M161 VanDerWaalsContact OG-CB 3.23Å; S158-M161 WeakPolarHBondContact OG-CB 3.39Å; S158-M161 PolarHBondContact OG-N 3.26Å; M161-K164 PolarHBondContact O-N 3.49Å; M161-I165 HydrophobicContact CG-CD1 4.12Å; M161-I165 VanDerWaalsContact O-CG1 3.27Å; M161-I165 WeakPolarHBondContact O-CG1 3.32Å; M161-I165 PolarHBondContact O-N 3Å |
| 162 | L | 90.2 | Very high | 86.5 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 176.1 | -66.2 | 174.7 | 0 | 0 | 0 | 111.8 | H145 L148 F149 P157 S158 D159 I165 A166 | H145-L162 HydrophobicContact CB-CB 4.17Å; L148-L162 HydrophobicContact CB-CD2 3.99Å; L148-L162 HydrophobicContact CD1-CB 4.29Å; L148-L162 HydrophobicContact CD1-CD2 4.18Å; L148-L162 VanDerWaalsContact CD1-O 3.29Å; L148-L162 WeakPolarHBondContact CD1-O 3.13Å; F149-L162 HydrophobicContact CD1-CD1 3.94Å; F149-L162 HydrophobicContact CE1-CD1 3.34Å; F149-L162 HydrophobicContact CE2-CD1 4.22Å; F149-L162 HydrophobicContact CZ-CD1 3.5Å; P157-L162 HydrophobicContact CB-CD1 4.42Å; P157-L162 HydrophobicContact CB-CD2 3.91Å; P157-L162 HydrophobicContact CB-CG 4.05Å; P157-L162 HydrophobicContact CG-CD2 4.49Å; S158-L162 WeakPolarHBondContact O-CG 3.49Å; S158-L162 PolarHBondContact O-N 3.06Å; D159-L162 PolarHBondContact O-N 2.85Å; L162-I165 HydrophobicContact CD2-CD1 4.36Å; L162-I165 PolarHBondContact O-N 3.07Å; L162-A166 PolarHBondContact O-N 2.84Å |
| 163 | K | 89.5 | Confident | 86.8 | Confident | 106 Ų | 106 | 62.6 Ų | 62.6 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 171.2 | -74.7 | 163.7 | 172.4 | 160.3 | 0 | 112 | D159 E160 I165 A166 E167 | D159-K163 WeakPolarHBondContact O-CG 3.43Å; D159-K163 PolarHBondContact O-N 2.89Å; D159-K163 VanDerWaalsContact OD2-CE 3.28Å; D159-K163 WeakPolarHBondContact OD2-CE 3.35Å; D159-K163 IonicContact OD2-NZ 2.65Å; D159-K163 PolarHBondContact OD2-NZ 2.7Å; E160-K163 PolarHBondContact O-N 2.83Å; K163-I165 VanDerWaalsContact C-N 3.3Å; K163-I165 PolarHBondContact O-N 3.06Å; K163-A166 PolarHBondContact O-N 3.24Å; K163-E167 PolarHBondContact O-N 3.21Å |
| 164 | K | 91.7 | Very high | 87 | Confident | 48 Ų | 48 | 64.9 Ų | 64.9 | 21% | 0.209 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59 | -37.7 | 174.5 | -70.5 | 165 | -174.7 | 162.9 | 0 | 112.3 | E119 A123 E160 M161 C168 | E119-K164 HydrophobicContact CG-CD 4.02Å; E119-K164 WeakPolarHBondContact OE1-CD 3.32Å; E119-K164 IonicContact OE1-NZ 2.75Å; E119-K164 PolarHBondContact OE1-NZ 3.27Å; E119-K164 IonicContact OE2-NZ 2.74Å; E119-K164 PolarHBondContact OE2-NZ 2.85Å; A123-K164 HydrophobicContact CB-CB 4.01Å; E160-K164 VanDerWaalsContact CD-NZ 3.34Å; E160-K164 WeakPolarHBondContact O-CG 3.37Å; E160-K164 PolarHBondContact O-N 2.63Å; E160-K164 VanDerWaalsContact OE1-CE 3.24Å; E160-K164 WeakPolarHBondContact OE1-CE 3.46Å; E160-K164 IonicContact OE1-NZ 2.65Å; E160-K164 PolarHBondContact OE1-NZ 3.23Å; M161-K164 PolarHBondContact O-N 3.49Å; K164-C168 WeakPolarHBondContact O-CB 3.43Å; K164-C168 PolarHBondContact O-N 3.34Å; K164-C168 PolarHBondContact O-SG 2.77Å |
| 165 | I | 93.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.7 | -45.7 | 174.3 | -68.4 | 163.2 | 0 | 0 | 0 | 111.3 | A123 A126 V130 L148 L153 L154 M161 L162 K163 C168 H169 | A123-I165 HydrophobicContact CB-CG1 3.94Å; A126-I165 HydrophobicContact CB-CD1 3.73Å; A126-I165 HydrophobicContact CB-CG1 3.89Å; A126-I165 HydrophobicContact CB-CG2 4.31Å; V130-I165 HydrophobicContact CG2-CG2 4.25Å; L148-I165 HydrophobicContact CD1-CB 3.87Å; L148-I165 HydrophobicContact CD1-CG2 3.64Å; L148-I165 HydrophobicContact CD2-CG2 3.98Å; L148-I165 HydrophobicContact CG-CG2 4.48Å; L153-I165 HydrophobicContact CD1-CG2 4.36Å; L154-I165 HydrophobicContact CD1-CD1 3.9Å; L154-I165 HydrophobicContact CG-CD1 4.49Å; M161-I165 HydrophobicContact CG-CD1 4.12Å; M161-I165 VanDerWaalsContact O-CG1 3.27Å; M161-I165 WeakPolarHBondContact O-CG1 3.32Å; M161-I165 PolarHBondContact O-N 3Å; L162-I165 HydrophobicContact CD2-CD1 4.36Å; L162-I165 PolarHBondContact O-N 3.07Å; K163-I165 VanDerWaalsContact C-N 3.3Å; K163-I165 PolarHBondContact O-N 3.06Å; I165-C168 PolarHBondContact O-N 3.21Å; I165-H169 WeakPolarHBondContact O-CB 3.48Å; I165-H169 PolarHBondContact O-N 3.33Å |
| 166 | A | 91.4 | Very high | 88.3 | Confident | 11 Ų | 11 | 62.1 Ų | 62.1 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | H145 Y147 L148 L162 K163 H169 R170 | H145-A166 HydrophobicContact CB-CB 4.1Å; Y147-A166 HydrophobicContact CE1-CB 4.39Å; L148-A166 HydrophobicContact CD1-CB 4.19Å; L162-A166 PolarHBondContact O-N 2.84Å; K163-A166 PolarHBondContact O-N 3.24Å; A166-H169 PolarHBondContact O-N 3.03Å; A166-R170 PolarHBondContact O-N 3.1Å |
| 167 | E | 92.2 | Very high | 89.2 | Confident | 121 Ų | 121 | 56 Ų | 56 | 57% | 0.565 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 173 | -175.3 | -178.6 | -167.2 | 0 | 0 | 111.8 | K163 H169 R170 N171 | K163-E167 PolarHBondContact O-N 3.21Å; E167-H169 VanDerWaalsContact C-N 3.32Å; E167-H169 PolarHBondContact O-N 3.25Å; E167-R170 PolarHBondContact O-N 2.8Å; E167-N171 PolarHBondContact O-N 3.47Å; E167-N171 PolarHBondContact O-ND2 3.14Å |
| 168 | C | 93.4 | Very high | 89.9 | Confident | 34 Ų | 34 | 54.3 Ų | 54.3 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59 | -44.4 | 173.3 | -71.7 | 0 | 0 | 0 | 0 | 111.1 | A127 K164 I165 N171 L172 | A127-C168 HydrophobicContact CB-CB 3.46Å; A127-C168 VanDerWaalsContact CB-CB 3.46Å; K164-C168 WeakPolarHBondContact O-CB 3.43Å; K164-C168 PolarHBondContact O-N 3.34Å; K164-C168 PolarHBondContact O-SG 2.77Å; I165-C168 PolarHBondContact O-N 3.21Å; C168-N171 WeakPolarHBondContact O-CB 3.46Å; C168-N171 PolarHBondContact O-N 3.3Å; C168-N171 VanDerWaalsContact O-N 3.1Å; C168-L172 WeakPolarHBondContact O-CG 3.34Å |
| 169 | H | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.9 | -42 | -179.7 | -177.5 | -143.7 | 0 | 0 | 0 | 112.8 | A127 V130 G135 F137 Y147 I165 A166 E167 N171 L172 | A127-H169 HydrophobicContact CB-CB 4.35Å; V130-H169 VanDerWaalsContact CG1-CE1 3.43Å; V130-H169 WeakPolarHBondContact CG1-CE1 3.24Å; V130-H169 WeakPolarHBondContact CG1-ND1 3.36Å; G135-H169 PolarHBondContact O-NE2 3.44Å; G135-H169 VanDerWaalsContact O-NE2 3.14Å; F137-H169 AromaticContact CD2-ND1 3.61Å; Y147-H169 AromaticContact CE2-ND1 3.72Å; Y147-H169 AromaticContact CZ-ND1 3.71Å; Y147-H169 PolarHBondContact OH-ND1 2.89Å; I165-H169 WeakPolarHBondContact O-CB 3.48Å; I165-H169 PolarHBondContact O-N 3.33Å; A166-H169 PolarHBondContact O-N 3.03Å; E167-H169 VanDerWaalsContact C-N 3.32Å; E167-H169 PolarHBondContact O-N 3.25Å; H169-N171 PolarHBondContact O-N 2.91Å; H169-N171 VanDerWaalsContact O-N 3.07Å; H169-L172 PolarHBondContact O-N 2.9Å |
| 170 | R | 91.5 | Very high | 90.8 | Very high | 102 Ų | 102 | 52 Ų | 52 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.5 | -26.4 | 172.7 | -171.1 | -172.7 | -87.1 | 125 | -7.6 | 112.6 | F137 E139 A166 E167 I173 | F137-R170 HydrophobicContact CD1-CB 4Å; F137-R170 HydrophobicContact CD1-CG 3.81Å; F137-R170 HydrophobicContact CD2-CB 4.33Å; F137-R170 HydrophobicContact CE1-CB 4.29Å; F137-R170 HydrophobicContact CE1-CG 4.03Å; F137-R170 HydrophobicContact CG-CB 4.03Å; F137-R170 HydrophobicContact CG-CG 4.34Å; E139-R170 VanDerWaalsContact CD-NH2 3.3Å; E139-R170 IonicContact OE1-CZ 2.68Å; E139-R170 IonicContact OE1-NE 3.71Å; E139-R170 IonicContact OE1-NH2 3.75Å; E139-R170 PolarHBondContact OE1-NH2 2.93Å; E139-R170 IonicContact OE2-CZ 3.54Å; E139-R170 IonicContact OE2-NE 2.68Å; E139-R170 PolarHBondContact OE2-NE 3.47Å; E139-R170 IonicContact OE2-NH2 3.66Å; E139-R170 PolarHBondContact OE2-NH2 3.47Å; E139-R170 VanDerWaalsContact OE2-NH2 3.11Å; A166-R170 PolarHBondContact O-N 3.1Å; E167-R170 PolarHBondContact O-N 2.8Å; R170-I173 WeakPolarHBondContact O-CD1 3.45Å |
| 171 | N | 92 | Very high | 91.2 | Very high | 124 Ų | 124 | 46.8 Ų | 46.8 | 66% | 0.663 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -2.1 | 178.8 | -72.8 | -72.3 | 0 | 0 | 0 | 115.1 | E167 C168 H169 | E167-N171 PolarHBondContact O-N 3.47Å; E167-N171 PolarHBondContact O-ND2 3.14Å; C168-N171 WeakPolarHBondContact O-CB 3.46Å; C168-N171 PolarHBondContact O-N 3.3Å; C168-N171 VanDerWaalsContact O-N 3.1Å; H169-N171 PolarHBondContact O-N 2.91Å; H169-N171 VanDerWaalsContact O-N 3.07Å |
| 172 | L | 89.8 | Confident | 91.6 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | trans | -94.4 | -1.7 | -176.9 | -66.4 | 177 | 0 | 0 | 0 | 115 | A127 F128 Q131 C168 H169 G174 Q175 | A127-L172 HydrophobicContact CB-CD1 3.79Å; A127-L172 WeakPolarHBondContact O-CD1 3.39Å; F128-L172 HydrophobicContact CD1-CD1 3.9Å; F128-L172 HydrophobicContact CD1-CD2 3.98Å; F128-L172 HydrophobicContact CE1-CD1 4.31Å; F128-L172 HydrophobicContact CE1-CD2 3.55Å; F128-L172 HydrophobicContact CG-CD1 4.5Å; F128-L172 HydrophobicContact CZ-CD2 4.29Å; Q131-L172 HydrophobicContact CB-CB 4.43Å; Q131-L172 HydrophobicContact CB-CD1 3.99Å; Q131-L172 HydrophobicContact CG-CB 4.16Å; Q131-L172 HydrophobicContact CG-CD1 4.5Å; Q131-L172 VanDerWaalsContact OE1-CB 3.3Å; C168-L172 WeakPolarHBondContact O-CG 3.34Å; H169-L172 PolarHBondContact O-N 2.9Å; L172-G174 PolarHBondContact O-N 3.21Å; L172-Q175 VanDerWaalsContact CD2-NE2 3.27Å; L172-Q175 WeakPolarHBondContact O-CB 3.43Å; L172-Q175 WeakPolarHBondContact O-CG 3.22Å; L172-Q175 PolarHBondContact O-N 2.92Å; L172-Q175 PolarHBondContact O-NE2 3.31Å | ||
| 173 | I | 88.5 | Confident | 91.9 | Very high | 98 Ų | 98 | 51.7 Ų | 51.7 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | 131 | -172.5 | -62.1 | 169.6 | 0 | 0 | 0 | 113.4 | D136 R170 | D136-I173 HydrophobicContact CB-CG2 4.41Å; D136-I173 WeakPolarHBondContact OD1-CA 3.31Å; R170-I173 WeakPolarHBondContact O-CD1 3.45Å |
| 174 | G | 86.2 | Confident | 92.3 | Very high | 57 Ų | 57 | 46.7 Ų | 46.7 | 59% | 0.588 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | 3.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D136 L172 | D136-G174 PolarHBondContact OD1-N 2.82Å; D136-G174 PolarHBondContact OD2-N 2.95Å; L172-G174 PolarHBondContact O-N 3.21Å |
| 175 | Q | 91 | Very high | 92.5 | Very high | 37 Ų | 37 | 44.4 Ų | 44.4 | 17% | 0.173 | 24% | 0.24 | C | C | . | . | trans | -86.6 | 123.2 | 174.2 | -75.6 | 177 | 61.3 | 0 | 0 | 111.5 | Q131 L172 E179 N183 | Q131-Q175 HydrophobicContact CG-CB 4.15Å; Q131-Q175 PolarHBondContact NE2-O 2.88Å; L172-Q175 VanDerWaalsContact CD2-NE2 3.27Å; L172-Q175 WeakPolarHBondContact O-CB 3.43Å; L172-Q175 WeakPolarHBondContact O-CG 3.22Å; L172-Q175 PolarHBondContact O-N 2.92Å; L172-Q175 PolarHBondContact O-NE2 3.31Å; Q175-E179 HydrophobicContact CB-CG 4.5Å; Q175-E179 HydrophobicContact CG-CG 4.26Å; Q175-N183 PolarHBondContact OE1-ND2 2.99Å | ||
| 176 | S | 89.9 | Confident | 92.7 | Very high | 33 Ų | 33 | 46 Ų | 46 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | trans | -66.5 | 156.1 | 172.9 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | A178 E179 A180 | S176-A178 PolarHBondContact O-N 3.13Å; S176-E179 WeakPolarHBondContact O-CA 3.23Å; S176-E179 WeakPolarHBondContact O-CB 3.49Å; S176-E179 PolarHBondContact O-N 2.84Å; S176-E179 WeakPolarHBondContact OG-CB 3.25Å; S176-E179 PolarHBondContact OG-N 3.2Å; S176-A180 PolarHBondContact O-N 3.02Å | ||
| 177 | P | 90.7 | Very high | 92.9 | Very high | 49 Ų | 49 | 46.9 Ų | 46.9 | 32% | 0.318 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.1 | -35.1 | 176.9 | -30.3 | 37.5 | 0 | 0 | 0 | 114.6 | A132 D181 | A132-P177 HydrophobicContact CB-CB 4.46Å; P177-D181 WeakPolarHBondContact O-CB 3.45Å; P177-D181 PolarHBondContact O-N 3.26Å |
| 178 | A | 90.8 | Very high | 93.1 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 20% | 0.198 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.7 | -32.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E96 S176 Y182 | E96-A178 HydrophobicContact CG-CB 4.39Å; E96-A178 WeakPolarHBondContact OE1-CB 3.37Å; S176-A178 PolarHBondContact O-N 3.13Å; A178-Y182 WeakPolarHBondContact O-CB 3.49Å; A178-Y182 PolarHBondContact O-N 3.39Å |
| 179 | E | 92.3 | Very high | 93.1 | Very high | 88 Ų | 88 | 43.3 Ų | 43.3 | 41% | 0.411 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -78.3 | -38.8 | 176.4 | -176.6 | 172.8 | -163.6 | 0 | 0 | 111.4 | Q175 S176 Y182 N183 | Q175-E179 HydrophobicContact CB-CG 4.5Å; Q175-E179 HydrophobicContact CG-CG 4.26Å; S176-E179 WeakPolarHBondContact O-CA 3.23Å; S176-E179 WeakPolarHBondContact O-CB 3.49Å; S176-E179 PolarHBondContact O-N 2.84Å; S176-E179 WeakPolarHBondContact OG-CB 3.25Å; S176-E179 PolarHBondContact OG-N 3.2Å; E179-Y182 PolarHBondContact O-N 2.92Å; E179-N183 WeakPolarHBondContact O-CB 3.48Å; E179-N183 VanDerWaalsContact O-CG 3.26Å; E179-N183 PolarHBondContact O-N 2.96Å; E179-N183 PolarHBondContact O-ND2 2.86Å |
| 180 | A | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q131 A132 S176 N183 L184 | Q131-A180 HydrophobicContact CB-CB 4.18Å; Q131-A180 HydrophobicContact CG-CB 3.93Å; A132-A180 HydrophobicContact CB-CB 3.92Å; S176-A180 PolarHBondContact O-N 3.02Å; A180-N183 PolarHBondContact O-N 3.2Å; A180-L184 VanDerWaalsContact O-CB 3.23Å; A180-L184 WeakPolarHBondContact O-CB 3.34Å; A180-L184 PolarHBondContact O-N 3.28Å |
| 181 | D | 95.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.6 | -46.2 | 170.4 | -72.3 | -28.2 | 0 | 0 | 0 | 111.4 | A103 P177 N183 L184 L185 R328 | A103-D181 HydrophobicContact CB-CB 4.31Å; A103-D181 WeakPolarHBondContact CB-OD1 3.23Å; P177-D181 WeakPolarHBondContact O-CB 3.45Å; P177-D181 PolarHBondContact O-N 3.26Å; D181-N183 PolarHBondContact O-N 3.29Å; D181-L184 WeakPolarHBondContact O-CB 3.32Å; D181-L184 PolarHBondContact O-N 2.96Å; D181-L185 WeakPolarHBondContact O-CB 3.47Å; D181-L185 WeakPolarHBondContact O-CG 3.37Å; D181-L185 PolarHBondContact O-N 3.46Å; D181-R328 IonicContact OD1-NH1 2.71Å; D181-R328 IonicContact OD2-CZ 2.78Å; D181-R328 IonicContact OD2-NH1 3.18Å; D181-R328 PolarHBondContact OD2-NH1 2.91Å; D181-R328 IonicContact OD2-NH2 2.74Å; D181-R328 PolarHBondContact OD2-NH2 3.1Å |
| 182 | Y | 95.5 | Very high | 92.9 | Very high | 91 Ų | 91 | 44.4 Ų | 44.4 | 36% | 0.357 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 178.8 | 175.6 | -85.7 | 0 | 0 | 0 | 112.1 | N91 A178 E179 L185 D186 | N91-Y182 HydrophobicContact CB-CD2 3.84Å; N91-Y182 HydrophobicContact CB-CE2 3.69Å; N91-Y182 HydrophobicContact CB-CG 4.49Å; N91-Y182 PolarHBondContact ND2-OH 3.41Å; N91-Y182 VanDerWaalsContact O-CD2 3.31Å; N91-Y182 WeakPolarHBondContact O-CD2 3.43Å; N91-Y182 WeakPolarHBondContact O-CE2 3.44Å; A178-Y182 WeakPolarHBondContact O-CB 3.49Å; A178-Y182 PolarHBondContact O-N 3.39Å; E179-Y182 PolarHBondContact O-N 2.92Å; Y182-L185 PolarHBondContact O-N 3.05Å; Y182-D186 PolarHBondContact O-N 2.91Å |
| 183 | N | 96 | Very high | 92.9 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 24% | 0.235 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.4 | -36.8 | -179.5 | -71.8 | -28 | 0 | 0 | 0 | 112 | F128 Q175 E179 A180 D181 T187 | F128-N183 HydrophobicContact CD1-CB 4.03Å; F128-N183 HydrophobicContact CE1-CB 3.47Å; F128-N183 VanDerWaalsContact CE1-CB 3.47Å; F128-N183 HydrophobicContact CE2-CB 4.27Å; F128-N183 HydrophobicContact CZ-CB 3.62Å; Q175-N183 PolarHBondContact OE1-ND2 2.99Å; E179-N183 WeakPolarHBondContact O-CB 3.48Å; E179-N183 VanDerWaalsContact O-CG 3.26Å; E179-N183 PolarHBondContact O-N 2.96Å; E179-N183 PolarHBondContact O-ND2 2.86Å; A180-N183 PolarHBondContact O-N 3.2Å; D181-N183 PolarHBondContact O-N 3.29Å; N183-T187 VanDerWaalsContact O-CB 3.25Å; N183-T187 WeakPolarHBondContact O-CB 3.43Å; N183-T187 PolarHBondContact O-N 2.67Å; N183-T187 PolarHBondContact O-OG1 2.92Å |
| 184 | L | 97.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.2 | -48.4 | 167 | 179.5 | 159.4 | 0 | 0 | 0 | 110.8 | A103 I106 L125 F128 I129 A180 D181 T187 V188 | A103-L184 HydrophobicContact CB-CD1 4.43Å; A103-L184 HydrophobicContact CB-CD2 4.2Å; I106-L184 HydrophobicContact CB-CD2 4.07Å; I106-L184 HydrophobicContact CG1-CD2 4.43Å; I106-L184 HydrophobicContact CG2-CD2 3.87Å; L125-L184 HydrophobicContact CD2-CG 4.16Å; F128-L184 HydrophobicContact CB-CB 3.86Å; F128-L184 HydrophobicContact CB-CD1 4.21Å; F128-L184 HydrophobicContact CB-CG 4.48Å; F128-L184 HydrophobicContact CD2-CB 4.22Å; F128-L184 HydrophobicContact CG-CB 4.25Å; I129-L184 HydrophobicContact CD1-CD1 4.21Å; I129-L184 HydrophobicContact CG1-CD1 3.45Å; I129-L184 VanDerWaalsContact CG1-CD1 3.45Å; A180-L184 VanDerWaalsContact O-CB 3.23Å; A180-L184 WeakPolarHBondContact O-CB 3.34Å; A180-L184 PolarHBondContact O-N 3.28Å; D181-L184 WeakPolarHBondContact O-CB 3.32Å; D181-L184 PolarHBondContact O-N 2.96Å; L184-T187 PolarHBondContact O-N 3.08Å; L184-V188 WeakPolarHBondContact O-CB 3.46Å; L184-V188 WeakPolarHBondContact O-CG1 3.41Å; L184-V188 PolarHBondContact O-N 3.11Å |
| 185 | L | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.9 | -32.6 | -177.1 | -69.6 | 179.3 | 0 | 0 | 0 | 113.8 | P90 N91 R99 F102 I106 D181 Y182 V188 R189 | P90-L185 HydrophobicContact CB-CB 4.34Å; P90-L185 HydrophobicContact CB-CD1 4.32Å; P90-L185 HydrophobicContact CB-CD2 4.07Å; P90-L185 HydrophobicContact CB-CG 4.47Å; P90-L185 HydrophobicContact CG-CB 4.11Å; P90-L185 HydrophobicContact CG-CD2 4.2Å; N91-L185 HydrophobicContact CB-CB 3.96Å; R99-L185 HydrophobicContact CB-CD1 3.97Å; R99-L185 HydrophobicContact CG-CD1 4.28Å; F102-L185 HydrophobicContact CB-CD1 4.17Å; F102-L185 HydrophobicContact CB-CD2 3.97Å; I106-L185 HydrophobicContact CG1-CD2 4.48Å; D181-L185 WeakPolarHBondContact O-CB 3.47Å; D181-L185 WeakPolarHBondContact O-CG 3.37Å; D181-L185 PolarHBondContact O-N 3.46Å; Y182-L185 PolarHBondContact O-N 3.05Å; L185-V188 HydrophobicContact CD2-CG1 4.23Å; L185-R189 WeakPolarHBondContact O-CG 3.33Å; L185-R189 PolarHBondContact O-N 3.46Å |
| 186 | D | 96.3 | Very high | 93.3 | Very high | 34 Ų | 34 | 38.5 Ų | 38.5 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -75.6 | -27.6 | 171.8 | -169.1 | 69.6 | 0 | 0 | 0 | 112.3 | N91 Y182 R189 K190 | N91-D186 HydrophobicContact CB-CB 4.14Å; N91-D186 PolarHBondContact ND2-OD1 2.73Å; Y182-D186 PolarHBondContact O-N 2.91Å; D186-R189 WeakPolarHBondContact O-CG 3.46Å; D186-R189 IonicContact OD1-CZ 2.65Å; D186-R189 IonicContact OD1-NE 3.11Å; D186-R189 PolarHBondContact OD1-NE 3.44Å; D186-R189 IonicContact OD1-NH2 3.67Å; D186-R189 PolarHBondContact OD1-NH2 3.36Å; D186-R189 IonicContact OD2-NH2 3.37Å; D186-K190 WeakPolarHBondContact O-CD 3.31Å; D186-K190 WeakPolarHBondContact O-CE 3.49Å; D186-K190 PolarHBondContact O-NZ 2.84Å; D186-K190 WeakPolarHBondContact OD2-CE 3.16Å; D186-K190 IonicContact OD2-NZ 3.78Å; D186-K190 PolarHBondContact OD2-NZ 2.82Å |
| 187 | T | 95.9 | Very high | 93.3 | Very high | 29 Ų | 29 | 38.7 Ų | 38.7 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -74.6 | -51.7 | 173.7 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | L125 N183 L184 R189 K190 | L125-T187 HydrophobicContact CD2-CG2 3.92Å; N183-T187 VanDerWaalsContact O-CB 3.25Å; N183-T187 WeakPolarHBondContact O-CB 3.43Å; N183-T187 PolarHBondContact O-N 2.67Å; N183-T187 PolarHBondContact O-OG1 2.92Å; L184-T187 PolarHBondContact O-N 3.08Å; T187-R189 VanDerWaalsContact C-N 3.34Å; T187-R189 PolarHBondContact O-N 3.02Å; T187-K190 WeakPolarHBondContact O-CB 3.15Å; T187-K190 PolarHBondContact O-N 3.24Å; T187-K190 VanDerWaalsContact O-N 3.16Å |
| 188 | V | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.9 | -35.9 | -172.3 | 77.6 | 0 | 0 | 0 | 0 | 113.1 | I106 L115 L125 L184 L185 K190 I191 Y194 | I106-V188 HydrophobicContact CD1-CG1 4.41Å; I106-V188 HydrophobicContact CD1-CG2 3.9Å; I106-V188 HydrophobicContact CG1-CG1 4.12Å; I106-V188 HydrophobicContact CG1-CG2 4.15Å; I106-V188 HydrophobicContact CG2-CB 4.43Å; I106-V188 HydrophobicContact CG2-CG2 3.83Å; L115-V188 HydrophobicContact CD1-CG2 4.08Å; L115-V188 HydrophobicContact CD2-CG2 3.54Å; L115-V188 HydrophobicContact CG-CG2 4.47Å; L125-V188 HydrophobicContact CD1-CG2 4.2Å; L125-V188 HydrophobicContact CD2-CB 4.08Å; L184-V188 WeakPolarHBondContact O-CB 3.46Å; L184-V188 WeakPolarHBondContact O-CG1 3.41Å; L184-V188 PolarHBondContact O-N 3.11Å; L185-V188 HydrophobicContact CD2-CG1 4.23Å; V188-K190 PolarHBondContact O-N 2.86Å; V188-I191 HydrophobicContact CG2-CD1 4.2Å; V188-I191 WeakPolarHBondContact O-CB 3.49Å; V188-I191 PolarHBondContact O-N 3.26Å; V188-Y194 HydrophobicContact CB-CD2 4.43Å; V188-Y194 HydrophobicContact CG1-CD2 3.82Å; V188-Y194 HydrophobicContact CG1-CE2 3.88Å; V188-Y194 HydrophobicContact CG2-CD2 3.97Å; V188-Y194 WeakPolarHBondContact O-CB 3.46Å |
| 189 | R | 94.4 | Very high | 93.3 | Very high | 80 Ų | 80 | 40.9 Ų | 40.9 | 30% | 0.302 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -7.6 | 179.3 | 72 | 178.8 | -171.2 | 76.4 | 7 | 114.3 | P90 N91 L185 D186 T187 | P90-R189 HydrophobicContact CG-CB 4.19Å; N91-R189 WeakPolarHBondContact OD1-CD 3.47Å; N91-R189 PolarHBondContact OD1-NE 2.92Å; L185-R189 WeakPolarHBondContact O-CG 3.33Å; L185-R189 PolarHBondContact O-N 3.46Å; D186-R189 WeakPolarHBondContact O-CG 3.46Å; D186-R189 IonicContact OD1-CZ 2.65Å; D186-R189 IonicContact OD1-NE 3.11Å; D186-R189 PolarHBondContact OD1-NE 3.44Å; D186-R189 IonicContact OD1-NH2 3.67Å; D186-R189 PolarHBondContact OD1-NH2 3.36Å; D186-R189 IonicContact OD2-NH2 3.37Å; T187-R189 VanDerWaalsContact C-N 3.34Å; T187-R189 PolarHBondContact O-N 3.02Å |
| 190 | K | 93.1 | Very high | 93.3 | Very high | 132 Ų | 132 | 41.1 Ų | 41.1 | 57% | 0.574 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -13 | 175.7 | -59.1 | 163.6 | -176.1 | 138.3 | 0 | 112.3 | D186 T187 V188 | D186-K190 WeakPolarHBondContact O-CD 3.31Å; D186-K190 WeakPolarHBondContact O-CE 3.49Å; D186-K190 PolarHBondContact O-NZ 2.84Å; D186-K190 WeakPolarHBondContact OD2-CE 3.16Å; D186-K190 IonicContact OD2-NZ 3.78Å; D186-K190 PolarHBondContact OD2-NZ 2.82Å; T187-K190 WeakPolarHBondContact O-CB 3.15Å; T187-K190 PolarHBondContact O-N 3.24Å; T187-K190 VanDerWaalsContact O-N 3.16Å; V188-K190 PolarHBondContact O-N 2.86Å |
| 191 | I | 92.1 | Very high | 93.3 | Very high | 24 Ų | 24 | 41.4 Ų | 41.4 | 12% | 0.123 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -82.1 | 130.9 | 179.6 | -58.6 | 171.7 | 0 | 0 | 0 | 109.1 | L115 C117 T121 L125 V188 L193 Y194 | L115-I191 HydrophobicContact CD1-CB 4.3Å; L115-I191 HydrophobicContact CD1-CD1 4.33Å; L115-I191 HydrophobicContact CD1-CG2 3.9Å; L115-I191 HydrophobicContact CD2-CD1 4.44Å; L115-I191 HydrophobicContact CG-CD1 4.49Å; C117-I191 HydrophobicContact CB-CD1 3.9Å; C117-I191 HydrophobicContact CB-CG1 4.39Å; C117-I191 HydrophobicContact CB-CG2 4Å; T121-I191 HydrophobicContact CG2-CD1 3.83Å; T121-I191 HydrophobicContact CG2-CG1 4.32Å; L125-I191 HydrophobicContact CD1-CD1 3.67Å; V188-I191 HydrophobicContact CG2-CD1 4.2Å; V188-I191 WeakPolarHBondContact O-CB 3.49Å; V188-I191 PolarHBondContact O-N 3.26Å; I191-L193 PolarHBondContact O-N 3.37Å; I191-L193 VanDerWaalsContact O-N 3.16Å; I191-Y194 VanDerWaalsContact O-CB 3.27Å; I191-Y194 WeakPolarHBondContact O-CB 3.38Å; I191-Y194 PolarHBondContact O-N 2.62Å |
| 192 | E | 86.7 | Confident | 93.3 | Very high | 93 Ų | 93 | 45.7 Ų | 45.7 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -31.5 | -173.9 | 176.1 | 159.3 | -144.8 | 0 | 0 | 113.9 | Y194 I196 Y221 R226 | E192-Y194 VanDerWaalsContact C-N 3.35Å; E192-I196 VanDerWaalsContact O-CG1 3.31Å; E192-I196 WeakPolarHBondContact O-CG1 3.28Å; E192-Y221 HydrophobicContact CG-CE1 4.45Å; E192-R226 WeakPolarHBondContact OE1-CB 3.19Å; E192-R226 VanDerWaalsContact OE1-CD 3.29Å; E192-R226 WeakPolarHBondContact OE1-CD 3.31Å; E192-R226 IonicContact OE1-CZ 3.05Å; E192-R226 IonicContact OE1-NE 3.24Å; E192-R226 PolarHBondContact OE1-NE 3.39Å; E192-R226 IonicContact OE1-NH1 2.73Å; E192-R226 PolarHBondContact OE1-NH1 3.33Å; E192-R226 IonicContact OE1-NH2 3.86Å |
| 193 | L | 89.9 | Confident | 93 | Very high | 30 Ų | 30 | 43 Ų | 43 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 6.9 | -179.9 | -61.6 | 179.6 | 0 | 0 | 0 | 114.4 | Q116 I191 G195 I196 Y221 | Q116-L193 HydrophobicContact CB-CD1 3.82Å; Q116-L193 HydrophobicContact CG-CD1 4.15Å; I191-L193 PolarHBondContact O-N 3.37Å; I191-L193 VanDerWaalsContact O-N 3.16Å; L193-G195 PolarHBondContact O-N 2.91Å; L193-G195 VanDerWaalsContact O-N 3.14Å; L193-I196 HydrophobicContact CB-CB 4.48Å; L193-I196 HydrophobicContact CD2-CB 4.2Å; L193-I196 HydrophobicContact CD2-CG1 4.41Å; L193-I196 HydrophobicContact CD2-CG2 4.1Å; L193-I196 WeakPolarHBondContact O-CB 3.41Å; L193-I196 PolarHBondContact O-N 2.83Å; L193-Y221 HydrophobicContact CD2-CE1 4.2Å |
| 194 | Y | 93.5 | Very high | 92.5 | Very high | 19 Ų | 19 | 49.3 Ų | 49.3 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 117.8 | 174 | 169.2 | -99.8 | 0 | 0 | 0 | 111.7 | Y86 T87 P90 I106 V188 I191 E192 I196 | Y86-Y194 HydrophobicContact CD1-CE1 4.36Å; Y86-Y194 AromaticContact CD1-CE2 3.95Å; Y86-Y194 HydrophobicContact CD1-CE2 3.95Å; Y86-Y194 AromaticContact CD1-CZ 3.82Å; T87-Y194 WeakPolarHBondContact O-CE1 3.42Å; T87-Y194 PolarHBondContact O-OH 3.06Å; P90-Y194 HydrophobicContact CG-CE2 4.31Å; P90-Y194 WeakPolarHBondContact CG-OH 3.27Å; I106-Y194 HydrophobicContact CD1-CD2 3.94Å; I106-Y194 HydrophobicContact CD1-CE2 3.92Å; V188-Y194 HydrophobicContact CB-CD2 4.43Å; V188-Y194 HydrophobicContact CG1-CD2 3.82Å; V188-Y194 HydrophobicContact CG1-CE2 3.88Å; V188-Y194 HydrophobicContact CG2-CD2 3.97Å; V188-Y194 WeakPolarHBondContact O-CB 3.46Å; I191-Y194 VanDerWaalsContact O-CB 3.27Å; I191-Y194 WeakPolarHBondContact O-CB 3.38Å; I191-Y194 PolarHBondContact O-N 2.62Å; E192-Y194 VanDerWaalsContact C-N 3.35Å; Y194-I196 PolarHBondContact O-N 2.95Å |
| 195 | G | 90.5 | Very high | 91.9 | Very high | 18 Ų | 18 | 54.8 Ų | 54.8 | 19% | 0.186 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 7.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L193 R197 | L193-G195 PolarHBondContact O-N 2.91Å; L193-G195 VanDerWaalsContact O-N 3.14Å; G195-R197 PolarHBondContact O-N 2.85Å |
| 196 | I | 90.7 | Very high | 91.4 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | trans | -81.6 | 106.7 | -175.5 | -59.1 | -55.8 | 0 | 0 | 0 | 110.5 | E192 L193 Y194 I198 A212 T214 Y221 | E192-I196 VanDerWaalsContact O-CG1 3.31Å; E192-I196 WeakPolarHBondContact O-CG1 3.28Å; L193-I196 HydrophobicContact CB-CB 4.48Å; L193-I196 HydrophobicContact CD2-CB 4.2Å; L193-I196 HydrophobicContact CD2-CG1 4.41Å; L193-I196 HydrophobicContact CD2-CG2 4.1Å; L193-I196 WeakPolarHBondContact O-CB 3.41Å; L193-I196 PolarHBondContact O-N 2.83Å; Y194-I196 PolarHBondContact O-N 2.95Å; I196-I198 HydrophobicContact CG2-CG1 3.92Å; I196-A212 HydrophobicContact CG2-CB 3.77Å; I196-T214 HydrophobicContact CD1-CG2 3.39Å; I196-Y221 HydrophobicContact CG2-CE2 4.07Å | ||
| 197 | R | 90.2 | Very high | 91.1 | Very high | 36 Ų | 36 | 59 Ų | 59 | 14% | 0.136 | 30% | 0.301 | C | S | . | . | trans | -92.6 | 112.2 | 166.5 | -65.7 | -177.7 | 177.4 | -141.1 | 10.9 | 109.1 | E50 W60 V83 G195 A212 | E50-R197 IonicContact OE1-CZ 3.03Å; E50-R197 IonicContact OE1-NH1 2.64Å; E50-R197 PolarHBondContact OE1-NH1 2.87Å; E50-R197 IonicContact OE1-NH2 2.67Å; E50-R197 IonicContact OE2-NH1 2.69Å; W60-R197 VanDerWaalsContact CH2-NH2 3.25Å; V83-R197 PolarHBondContact O-NH2 2.88Å; G195-R197 PolarHBondContact O-N 2.85Å; R197-A212 VanDerWaalsContact O-CB 3.25Å; R197-A212 WeakPolarHBondContact O-CB 3.29Å | ||
| 198 | I | 90 | Very high | 90.9 | Very high | 75 Ų | 75 | 63.2 Ų | 63.2 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 134.4 | -178.8 | -68.1 | 176.8 | 0 | 0 | 0 | 110.8 | I196 N210 | I196-I198 HydrophobicContact CG2-CG1 3.92Å; I198-N210 HydrophobicContact CG2-CB 3.55Å |
| 199 | N | 91.7 | Very high | 90.8 | Very high | 44 Ų | 44 | 63.6 Ų | 63.6 | 24% | 0.235 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120 | 169.7 | -62.5 | 102.7 | 0 | 0 | 0 | 110.2 | I211 F261 F270 | N199-I211 WeakPolarHBondContact CB-O 3.34Å; N199-I211 PolarHBondContact N-O 2.83Å; N199-I211 PolarHBondContact O-N 2.83Å; N199-F261 HydrophobicContact CB-CE1 4.08Å; N199-F270 HydrophobicContact CB-CD2 4.02Å; N199-F270 HydrophobicContact CB-CE2 4.21Å; N199-F270 VanDerWaalsContact OD1-CD2 3.28Å; N199-F270 WeakPolarHBondContact OD1-CD2 3.41Å |
| 200 | P | 92.9 | Very high | 90.8 | Very high | 93 Ų | 93 | 62.5 Ų | 62.5 | 60% | 0.604 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 136.4 | 174.2 | -24.5 | 35.3 | 0 | 0 | 0 | 112.7 | ||
| 201 | A | 94.9 | Very high | 90.9 | Very high | 7 Ų | 7 | 56.2 Ų | 56.2 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 179.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | V209 I211 F259 S260 | A201-V209 CarbonylContact C-O 3.46Å; A201-V209 HydrophobicContact CB-CG2 4.45Å; A201-V209 PolarHBondContact N-O 3.27Å; A201-V209 PolarHBondContact O-N 3.2Å; A201-I211 HydrophobicContact CB-CD1 3.8Å; A201-I211 HydrophobicContact CB-CG1 4Å; A201-F259 HydrophobicContact CB-CB 4.38Å; A201-S260 CarbonylContact C-O 3.49Å; A201-S260 VanDerWaalsContact CA-O 3.31Å; A201-S260 WeakPolarHBondContact CA-O 3.34Å |
| 202 | K | 94.1 | Very high | 91 | Very high | 96 Ų | 96 | 55.1 Ų | 55.1 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144 | 167.6 | -64.9 | -179.1 | 175.4 | -101.6 | 0 | 110.3 | G206 L207 N208 F259 S260 | K202-G206 PolarHBondContact NZ-O 3.06Å; K202-L207 CarbonylContact C-O 3.57Å; K202-L207 WeakPolarHBondContact CA-O 3.37Å; K202-N208 VanDerWaalsContact CE-OD1 3.23Å; K202-N208 WeakPolarHBondContact CE-OD1 3.39Å; K202-N208 PolarHBondContact NZ-OD1 3.14Å; K202-F259 CarbonylContact O-C 3.57Å; K202-F259 VanDerWaalsContact O-CA 3.22Å; K202-F259 WeakPolarHBondContact O-CA 3.44Å; K202-S260 PolarHBondContact N-O 2.95Å; K202-S260 PolarHBondContact O-N 2.97Å |
| 203 | D | 90.5 | Very high | 91.4 | Very high | 34 Ų | 34 | 50.8 Ų | 50.8 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | trans | -78.5 | -171.8 | 176.7 | 91.9 | -45.9 | 0 | 0 | 0 | 112 | N205 G206 L207 V209 | D203-N205 PolarHBondContact O-N 3.47Å; D203-N205 WeakPolarHBondContact OD1-CA 3.43Å; D203-N205 WeakPolarHBondContact OD1-CB 3.47Å; D203-N205 PolarHBondContact OD1-N 3.02Å; D203-N205 WeakPolarHBondContact OD2-CB 3.43Å; D203-N205 PolarHBondContact OD2-N 3.27Å; D203-N205 VanDerWaalsContact OD2-N 3.16Å; D203-G206 PolarHBondContact O-N 2.98Å; D203-G206 PolarHBondContact OD1-N 2.98Å; D203-L207 PolarHBondContact N-O 2.93Å; D203-L207 WeakPolarHBondContact OD1-CB 3.49Å; D203-L207 PolarHBondContact OD1-N 3.33Å; D203-V209 HydrophobicContact CB-CG1 4.21Å; D203-V209 HydrophobicContact CB-CG2 4.15Å | ||
| 204 | K | 84.2 | Confident | 91.6 | Very high | 177 Ų | 177 | 50.2 Ų | 50.2 | 77% | 0.77 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.8 | 175.6 | 58.6 | 153 | -169.8 | 169.1 | 0 | 114.2 | ||
| 205 | N | 85.6 | Confident | 91.6 | Very high | 115 Ų | 115 | 52.4 Ų | 52.4 | 62% | 0.615 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -3.3 | 178.3 | -59.9 | -7 | 0 | 0 | 0 | 112.2 | D203 L207 | D203-N205 PolarHBondContact O-N 3.47Å; D203-N205 WeakPolarHBondContact OD1-CA 3.43Å; D203-N205 WeakPolarHBondContact OD1-CB 3.47Å; D203-N205 PolarHBondContact OD1-N 3.02Å; D203-N205 WeakPolarHBondContact OD2-CB 3.43Å; D203-N205 PolarHBondContact OD2-N 3.27Å; D203-N205 VanDerWaalsContact OD2-N 3.16Å; N205-L207 HydrophobicContact CB-CD1 4.49Å; N205-L207 HydrophobicContact CB-CG 4.31Å |
| 206 | G | 85.9 | Confident | 91.7 | Very high | 37 Ų | 37 | 54 Ų | 54 | 38% | 0.381 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 86.7 | 1.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K202 D203 | K202-G206 PolarHBondContact NZ-O 3.06Å; D203-G206 PolarHBondContact O-N 2.98Å; D203-G206 PolarHBondContact OD1-N 2.98Å |
| 207 | L | 90.4 | Very high | 91.9 | Very high | 85 Ų | 85 | 53.3 Ų | 53.3 | 45% | 0.445 | 29% | 0.286 | S | S | . | . | trans | -68.1 | 137.4 | 177.7 | -61.4 | 174.9 | 0 | 0 | 0 | 110.2 | K202 D203 N205 V209 | K202-L207 CarbonylContact C-O 3.57Å; K202-L207 WeakPolarHBondContact CA-O 3.37Å; D203-L207 PolarHBondContact N-O 2.93Å; D203-L207 WeakPolarHBondContact OD1-CB 3.49Å; D203-L207 PolarHBondContact OD1-N 3.33Å; N205-L207 HydrophobicContact CB-CD1 4.49Å; N205-L207 HydrophobicContact CB-CG 4.31Å; L207-V209 PolarHBondContact O-N 3.1Å | ||
| 208 | N | 92 | Very high | 92.1 | Very high | 119 Ų | 119 | 51.6 Ų | 51.6 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 122.6 | 176 | -63.1 | -20.1 | 0 | 0 | 0 | 109.6 | K202 | K202-N208 VanDerWaalsContact CE-OD1 3.23Å; K202-N208 WeakPolarHBondContact CE-OD1 3.39Å; K202-N208 PolarHBondContact NZ-OD1 3.14Å |
| 209 | V | 94.3 | Very high | 92.3 | Very high | 7 Ų | 7 | 48.2 Ų | 48.2 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 147.7 | -179.4 | -66.7 | 0 | 0 | 0 | 0 | 110.3 | A201 D203 L207 I211 V220 Q222 F259 | A201-V209 CarbonylContact C-O 3.46Å; A201-V209 HydrophobicContact CB-CG2 4.45Å; A201-V209 PolarHBondContact N-O 3.27Å; A201-V209 PolarHBondContact O-N 3.2Å; D203-V209 HydrophobicContact CB-CG1 4.21Å; D203-V209 HydrophobicContact CB-CG2 4.15Å; L207-V209 PolarHBondContact O-N 3.1Å; V209-I211 HydrophobicContact CG2-CG2 4.45Å; V209-V220 HydrophobicContact CB-CG1 4.23Å; V209-Q222 HydrophobicContact CG1-CB 4.47Å; V209-Q222 HydrophobicContact CG1-CG 4.39Å; V209-F259 HydrophobicContact CG2-CD1 3.91Å; V209-F259 HydrophobicContact CG2-CE1 4.09Å |
| 210 | N | 93.8 | Very high | 92.5 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 31% | 0.305 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 119.9 | -179.8 | -86.1 | -19 | 0 | 0 | 0 | 108.6 | I198 Y221 | I198-N210 HydrophobicContact CG2-CB 3.55Å; N210-Y221 PolarHBondContact N-O 3.5Å; N210-Y221 PolarHBondContact O-N 2.77Å |
| 211 | I | 95 | Very high | 92.4 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 143.3 | -177.8 | 59.1 | 178.2 | 0 | 0 | 0 | 111.4 | N199 A201 V209 C219 V220 F259 F261 F270 | N199-I211 WeakPolarHBondContact CB-O 3.34Å; N199-I211 PolarHBondContact N-O 2.83Å; N199-I211 PolarHBondContact O-N 2.83Å; A201-I211 HydrophobicContact CB-CD1 3.8Å; A201-I211 HydrophobicContact CB-CG1 4Å; V209-I211 HydrophobicContact CG2-CG2 4.45Å; I211-C219 WeakPolarHBondContact CA-O 3.38Å; I211-V220 HydrophobicContact CG2-CB 4.3Å; I211-V220 HydrophobicContact CG2-CG1 4.06Å; I211-V220 HydrophobicContact CG2-CG2 4.01Å; I211-F259 HydrophobicContact CD1-CB 4.05Å; I211-F259 HydrophobicContact CD1-CD1 4.46Å; I211-F259 HydrophobicContact CD1-CG 4.11Å; I211-F259 HydrophobicContact CG2-CD1 4.1Å; I211-F259 HydrophobicContact CG2-CE1 4.03Å; I211-F259 HydrophobicContact CG2-CZ 4.49Å; I211-F261 HydrophobicContact CD1-CE1 4.49Å; I211-F261 HydrophobicContact CD1-CE2 3.98Å; I211-F261 HydrophobicContact CD1-CZ 3.64Å; I211-F261 HydrophobicContact CG1-CZ 4.27Å; I211-F270 HydrophobicContact CB-CZ 4.06Å; I211-F270 HydrophobicContact CD1-CD1 4.38Å; I211-F270 HydrophobicContact CD1-CE1 3.82Å; I211-F270 HydrophobicContact CD1-CZ 3.9Å; I211-F270 HydrophobicContact CG1-CE1 4.22Å; I211-F270 HydrophobicContact CG1-CE2 4.09Å; I211-F270 HydrophobicContact CG1-CZ 3.76Å |
| 212 | A | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 156.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I196 R197 I218 C219 Y221 | I196-A212 HydrophobicContact CG2-CB 3.77Å; R197-A212 VanDerWaalsContact O-CB 3.25Å; R197-A212 WeakPolarHBondContact O-CB 3.29Å; A212-I218 CarbonylContact O-C 3.57Å; A212-I218 WeakPolarHBondContact O-CA 3.37Å; A212-C219 HydrophobicContact CB-CB 4.49Å; A212-C219 PolarHBondContact N-O 2.74Å; A212-C219 PolarHBondContact O-N 3.47Å; A212-Y221 HydrophobicContact CB-CE2 4.15Å |
| 213 | V | 95 | Very high | 91.7 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 134.8 | 178.7 | -165.7 | 0 | 0 | 0 | 0 | 109.6 | W232 F270 Q273 C274 H277 | V213-W232 HydrophobicContact CG1-CH2 3.83Å; V213-W232 HydrophobicContact CG1-CZ2 3.71Å; V213-F270 HydrophobicContact CG2-CD2 4.06Å; V213-F270 HydrophobicContact CG2-CE1 4.42Å; V213-F270 HydrophobicContact CG2-CE2 3.56Å; V213-F270 HydrophobicContact CG2-CZ 3.76Å; V213-Q273 HydrophobicContact CB-CG 4.18Å; V213-Q273 HydrophobicContact CG1-CG 4.49Å; V213-Q273 HydrophobicContact CG2-CB 4.38Å; V213-Q273 HydrophobicContact CG2-CG 3.96Å; V213-C274 VanDerWaalsContact CG2-SG 3.54Å; V213-H277 HydrophobicContact CG1-CB 3.54Å; V213-H277 VanDerWaalsContact CG1-CG 3.47Å |
| 214 | T | 93.9 | Very high | 91.1 | Very high | 18 Ų | 18 | 46.9 Ų | 46.9 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | trans | -134.5 | 172.1 | -176.1 | 72.6 | 0 | 0 | 0 | 0 | 112.1 | I196 S216 G217 C219 W232 | I196-T214 HydrophobicContact CD1-CG2 3.39Å; T214-S216 PolarHBondContact O-N 3.48Å; T214-S216 PolarHBondContact OG1-N 3.4Å; T214-G217 PolarHBondContact N-O 3.39Å; T214-G217 PolarHBondContact OG1-N 3.24Å; T214-G217 PolarHBondContact OG1-O 3.29Å; T214-C219 VanDerWaalsContact CG2-SG 3.57Å; T214-W232 WeakPolarHBondContact O-CZ2 3.45Å; T214-W232 PolarHBondContact O-NE1 3.4Å; T214-W232 VanDerWaalsContact O-NE1 3.11Å | ||
| 215 | H | 93.6 | Very high | 91.1 | Very high | 64 Ų | 64 | 43.4 Ų | 43.4 | 30% | 0.296 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -59 | -30.2 | 170.9 | 68.7 | -94.9 | 0 | 0 | 0 | 112.8 | W232 F281 | H215-W232 PolarHBondContact O-NE1 2.87Å; H215-W232 VanDerWaalsContact O-NE1 3.15Å; H215-F281 HydrophobicContact CB-CD1 3.78Å; H215-F281 HydrophobicContact CB-CD2 4.03Å; H215-F281 HydrophobicContact CB-CE1 3.71Å; H215-F281 HydrophobicContact CB-CE2 3.94Å; H215-F281 HydrophobicContact CB-CG 3.95Å; H215-F281 HydrophobicContact CB-CZ 3.78Å |
| 216 | S | 92.2 | Very high | 91.3 | Very high | 51 Ų | 51 | 43.5 Ų | 43.5 | 36% | 0.357 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -91.2 | -29.6 | -175.5 | -83.9 | 0 | 0 | 0 | 0 | 114 | T214 S231 W232 | T214-S216 PolarHBondContact O-N 3.48Å; T214-S216 PolarHBondContact OG1-N 3.4Å; S216-S231 VanDerWaalsContact O-CA 3.32Å; S216-S231 WeakPolarHBondContact O-CA 3.44Å; S216-W232 PolarHBondContact O-N 3.4Å |
| 217 | G | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.8 | -162.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | T214 F230 | T214-G217 PolarHBondContact N-O 3.39Å; T214-G217 PolarHBondContact OG1-N 3.24Å; T214-G217 PolarHBondContact OG1-O 3.29Å; G217-F230 CarbonylContact C-O 3.48Å; G217-F230 WeakPolarHBondContact CA-O 3.47Å |
| 218 | I | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.1 | 173.1 | -56.7 | 172.9 | 0 | 0 | 0 | 108.7 | A212 F230 W232 I235 L238 F245 I247 F270 C274 | A212-I218 CarbonylContact O-C 3.57Å; A212-I218 WeakPolarHBondContact O-CA 3.37Å; I218-F230 HydrophobicContact CB-CB 4.35Å; I218-F230 HydrophobicContact CB-CD2 4.47Å; I218-F230 PolarHBondContact N-O 3.39Å; I218-F230 PolarHBondContact O-N 3.38Å; I218-W232 HydrophobicContact CD1-CH2 4.31Å; I218-W232 HydrophobicContact CD1-CZ3 4.14Å; I218-W232 HydrophobicContact CG1-CH2 3.7Å; I218-W232 HydrophobicContact CG1-CZ3 3.86Å; I218-I235 HydrophobicContact CD1-CD1 3.98Å; I218-I235 HydrophobicContact CG1-CD1 4.16Å; I218-L238 HydrophobicContact CD1-CD1 4.22Å; I218-L238 HydrophobicContact CD1-CD2 3.92Å; I218-F245 HydrophobicContact CD1-CE1 3.98Å; I218-F245 HydrophobicContact CD1-CZ 3.82Å; I218-I247 HydrophobicContact CD1-CD1 3.98Å; I218-I247 HydrophobicContact CD1-CG1 4.42Å; I218-I247 HydrophobicContact CG2-CD1 4.44Å; I218-F270 HydrophobicContact CG2-CE1 4.3Å; I218-F270 HydrophobicContact CG2-CZ 4.06Å; I218-C274 HydrophobicContact CD1-CB 4.37Å |
| 219 | C | 94.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.034 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 149 | 175.6 | -67.7 | 0 | 0 | 0 | 0 | 111.3 | I211 A212 T214 Y221 R226 N228 | I211-C219 WeakPolarHBondContact CA-O 3.38Å; A212-C219 HydrophobicContact CB-CB 4.49Å; A212-C219 PolarHBondContact N-O 2.74Å; A212-C219 PolarHBondContact O-N 3.47Å; T214-C219 VanDerWaalsContact CG2-SG 3.57Å; C219-Y221 HydrophobicContact CB-CD2 4.21Å; C219-Y221 HydrophobicContact CB-CE2 3.49Å; C219-Y221 VanDerWaalsContact CB-CE2 3.49Å; C219-R226 HydrophobicContact CB-CG 4.48Å; C219-N228 WeakPolarHBondContact CA-O 3.37Å |
| 220 | V | 94.2 | Very high | 91.5 | Very high | 8 Ų | 8 | 41.6 Ų | 41.6 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134 | 167.8 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | V209 I211 R226 T227 N228 F230 F259 | V209-V220 HydrophobicContact CB-CG1 4.23Å; I211-V220 HydrophobicContact CG2-CB 4.3Å; I211-V220 HydrophobicContact CG2-CG1 4.06Å; I211-V220 HydrophobicContact CG2-CG2 4.01Å; V220-R226 CarbonylContact O-C 3.53Å; V220-R226 WeakPolarHBondContact O-CA 3.4Å; V220-T227 PolarHBondContact O-N 3.05Å; V220-T227 PolarHBondContact O-OG1 2.86Å; V220-N228 HydrophobicContact CB-CB 4Å; V220-N228 HydrophobicContact CG2-CB 4.04Å; V220-N228 PolarHBondContact N-O 3.07Å; V220-N228 PolarHBondContact O-N 3.25Å; V220-F230 HydrophobicContact CG2-CD2 4.26Å; V220-F230 HydrophobicContact CG2-CE2 3.64Å; V220-F259 HydrophobicContact CG1-CE1 4.31Å; V220-F259 HydrophobicContact CG2-CE1 4.2Å; V220-F259 HydrophobicContact CG2-CZ 3.77Å |
| 221 | Y | 92.2 | Very high | 91.4 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.02 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 141.1 | 177.3 | -60.5 | -99 | 0 | 0 | 0 | 109.8 | E192 L193 I196 N210 A212 C219 G224 V225 R226 | E192-Y221 HydrophobicContact CG-CE1 4.45Å; L193-Y221 HydrophobicContact CD2-CE1 4.2Å; I196-Y221 HydrophobicContact CG2-CE2 4.07Å; N210-Y221 PolarHBondContact N-O 3.5Å; N210-Y221 PolarHBondContact O-N 2.77Å; A212-Y221 HydrophobicContact CB-CE2 4.15Å; C219-Y221 HydrophobicContact CB-CD2 4.21Å; C219-Y221 HydrophobicContact CB-CE2 3.49Å; C219-Y221 VanDerWaalsContact CB-CE2 3.49Å; Y221-G224 WeakPolarHBondContact CD1-O 3.41Å; Y221-V225 CarbonylContact C-O 3.44Å; Y221-V225 WeakPolarHBondContact CA-O 3.41Å; Y221-R226 HydrophobicContact CD1-CB 3.73Å; Y221-R226 HydrophobicContact CD1-CG 4.3Å; Y221-R226 HydrophobicContact CE1-CB 3.57Å; Y221-R226 HydrophobicContact CE1-CG 3.98Å |
| 222 | Q | 89.9 | Confident | 91.4 | Very high | 89 Ų | 89 | 41.2 Ų | 41.2 | 42% | 0.416 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 127.6 | 177.6 | -172.2 | 177.7 | -12.3 | 0 | 0 | 107.8 | V209 G224 V225 T227 | V209-Q222 HydrophobicContact CG1-CB 4.47Å; V209-Q222 HydrophobicContact CG1-CG 4.39Å; Q222-G224 PolarHBondContact O-N 2.87Å; Q222-V225 PolarHBondContact N-O 3.13Å; Q222-V225 PolarHBondContact O-N 2.86Å; Q222-V225 VanDerWaalsContact O-N 3.17Å; Q222-T227 HydrophobicContact CB-CG2 3.72Å |
| 223 | G | 82.7 | Confident | 91.1 | Very high | 84 Ų | 84 | 44.5 Ų | 44.5 | 87% | 0.866 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 28.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114 | V225 | G223-V225 PolarHBondContact O-N 3.23Š|
| 224 | G | 79.4 | Confident | 90.8 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 62% | 0.619 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -25.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y221 Q222 | Y221-G224 WeakPolarHBondContact CD1-O 3.41Å; Q222-G224 PolarHBondContact O-N 2.87Å |
| 225 | V | 84 | Confident | 90.7 | Very high | 103 Ų | 103 | 50.4 Ų | 50.4 | 62% | 0.624 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 139 | -178.3 | -177 | 0 | 0 | 0 | 0 | 111.4 | Y221 Q222 G223 T227 | Y221-V225 CarbonylContact C-O 3.44Å; Y221-V225 WeakPolarHBondContact CA-O 3.41Å; Q222-V225 PolarHBondContact N-O 3.13Å; Q222-V225 PolarHBondContact O-N 2.86Å; Q222-V225 VanDerWaalsContact O-N 3.17Å; G223-V225 PolarHBondContact O-N 3.23Å; V225-T227 PolarHBondContact O-N 2.94Å |
| 226 | R | 88.7 | Confident | 90.4 | Very high | 118 Ų | 118 | 53 Ų | 53 | 45% | 0.445 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 100.7 | 177.6 | -170.5 | -175.8 | 66.2 | -148 | 2.7 | 111.9 | E192 C219 V220 Y221 | E192-R226 WeakPolarHBondContact OE1-CB 3.19Å; E192-R226 VanDerWaalsContact OE1-CD 3.29Å; E192-R226 WeakPolarHBondContact OE1-CD 3.31Å; E192-R226 IonicContact OE1-CZ 3.05Å; E192-R226 IonicContact OE1-NE 3.24Å; E192-R226 PolarHBondContact OE1-NE 3.39Å; E192-R226 IonicContact OE1-NH1 2.73Å; E192-R226 PolarHBondContact OE1-NH1 3.33Å; E192-R226 IonicContact OE1-NH2 3.86Å; C219-R226 HydrophobicContact CB-CG 4.48Å; V220-R226 CarbonylContact O-C 3.53Å; V220-R226 WeakPolarHBondContact O-CA 3.4Å; Y221-R226 HydrophobicContact CD1-CB 3.73Å; Y221-R226 HydrophobicContact CD1-CG 4.3Å; Y221-R226 HydrophobicContact CE1-CB 3.57Å; Y221-R226 HydrophobicContact CE1-CG 3.98Å |
| 227 | T | 88.8 | Confident | 90.3 | Very high | 75 Ų | 75 | 56.8 Ų | 56.8 | 46% | 0.46 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -23.5 | -178.8 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | V220 Q222 V225 | V220-T227 PolarHBondContact O-N 3.05Å; V220-T227 PolarHBondContact O-OG1 2.86Å; Q222-T227 HydrophobicContact CB-CG2 3.72Å; V225-T227 PolarHBondContact O-N 2.94Å |
| 228 | N | 90.4 | Very high | 90.2 | Very high | 64 Ų | 64 | 58.1 Ų | 58.1 | 34% | 0.342 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 154.7 | -178.8 | -147.6 | -36.3 | 0 | 0 | 0 | 113.7 | C219 V220 F230 | C219-N228 WeakPolarHBondContact CA-O 3.37Å; V220-N228 HydrophobicContact CB-CB 4Å; V220-N228 HydrophobicContact CG2-CB 4.04Å; V220-N228 PolarHBondContact N-O 3.07Å; V220-N228 PolarHBondContact O-N 3.25Å; N228-F230 HydrophobicContact CB-CZ 4.39Å |
| 229 | L | 93.5 | Very high | 90 | Very high | 62 Ų | 62 | 60 Ų | 60 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 105.6 | 172.1 | 171.9 | 55.9 | 0 | 0 | 0 | 110.4 | S231 | L229-S231 PolarHBondContact O-N 3.07Å; L229-S231 VanDerWaalsContact O-N 3.11Å |
| 230 | F | 93.9 | Very high | 89.9 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 85.6 | 171.1 | -55.7 | -64.8 | 0 | 0 | 0 | 109.6 | G217 I218 V220 N228 I235 I247 I249 I257 F259 | G217-F230 CarbonylContact C-O 3.48Å; G217-F230 WeakPolarHBondContact CA-O 3.47Å; I218-F230 HydrophobicContact CB-CB 4.35Å; I218-F230 HydrophobicContact CB-CD2 4.47Å; I218-F230 PolarHBondContact N-O 3.39Å; I218-F230 PolarHBondContact O-N 3.38Å; V220-F230 HydrophobicContact CG2-CD2 4.26Å; V220-F230 HydrophobicContact CG2-CE2 3.64Å; N228-F230 HydrophobicContact CB-CZ 4.39Å; F230-I235 HydrophobicContact CB-CD1 3.91Å; F230-I235 HydrophobicContact CB-CG1 4.1Å; F230-I235 VanDerWaalsContact O-CD1 3.22Å; F230-I235 WeakPolarHBondContact O-CD1 3.31Å; F230-I247 HydrophobicContact CB-CD1 4.37Å; F230-I247 HydrophobicContact CD2-CD1 3.44Å; F230-I247 VanDerWaalsContact CD2-CD1 3.44Å; F230-I247 HydrophobicContact CE2-CD1 3.86Å; F230-I247 HydrophobicContact CG-CD1 3.97Å; F230-I249 HydrophobicContact CD1-CD1 3.63Å; F230-I249 HydrophobicContact CE1-CD1 3.84Å; F230-I257 HydrophobicContact CD1-CD1 4.44Å; F230-I257 HydrophobicContact CE1-CD1 3.45Å; F230-I257 VanDerWaalsContact CE1-CD1 3.45Å; F230-I257 HydrophobicContact CZ-CD1 3.66Å; F230-I257 HydrophobicContact CZ-CG2 4.21Å; F230-F259 HydrophobicContact CE2-CE2 4.13Å; F230-F259 HydrophobicContact CE2-CZ 4.03Å |
| 231 | S | 93.1 | Very high | 89.7 | Confident | 41 Ų | 41 | 68.6 Ų | 68.6 | 29% | 0.287 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 141 | 176.6 | 174.6 | 0 | 0 | 0 | 0 | 112.3 | S216 L229 A233 R234 I235 | S216-S231 VanDerWaalsContact O-CA 3.32Å; S216-S231 WeakPolarHBondContact O-CA 3.44Å; L229-S231 PolarHBondContact O-N 3.07Å; L229-S231 VanDerWaalsContact O-N 3.11Å; S231-A233 PolarHBondContact O-N 3.11Å; S231-A233 PolarHBondContact OG-N 2.89Å; S231-R234 PolarHBondContact O-N 3.21Å; S231-I235 PolarHBondContact O-N 3.26Å |
| 232 | W | 93.9 | Very high | 89.5 | Confident | 9 Ų | 9 | 77.9 Ų | 77.9 | 3% | 0.034 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26 | 176.2 | -62.3 | 129 | 0 | 0 | 0 | 113.9 | V213 T214 H215 S216 I218 I235 L238 C274 H277 H278 R282 | V213-W232 HydrophobicContact CG1-CH2 3.83Å; V213-W232 HydrophobicContact CG1-CZ2 3.71Å; T214-W232 WeakPolarHBondContact O-CZ2 3.45Å; T214-W232 PolarHBondContact O-NE1 3.4Å; T214-W232 VanDerWaalsContact O-NE1 3.11Å; H215-W232 PolarHBondContact O-NE1 2.87Å; H215-W232 VanDerWaalsContact O-NE1 3.15Å; S216-W232 PolarHBondContact O-N 3.4Å; I218-W232 HydrophobicContact CD1-CH2 4.31Å; I218-W232 HydrophobicContact CD1-CZ3 4.14Å; I218-W232 HydrophobicContact CG1-CH2 3.7Å; I218-W232 HydrophobicContact CG1-CZ3 3.86Å; W232-I235 HydrophobicContact CE3-CD1 3.7Å; W232-I235 HydrophobicContact CZ3-CD1 3.81Å; W232-L238 HydrophobicContact CZ3-CD1 4.25Å; W232-C274 HydrophobicContact CH2-CB 4.17Å; W232-H277 HydrophobicContact CZ2-CB 3.86Å; W232-H278 HydrophobicContact CD2-CB 4.14Å; W232-H278 HydrophobicContact CE3-CB 3.9Å; W232-H278 AromaticContact CE3-CD2 3.81Å; W232-H278 HydrophobicContact CH2-CB 4.44Å; W232-H278 HydrophobicContact CZ3-CB 4.08Å; W232-R282 HydrophobicContact CB-CB 4.16Å; W232-R282 HydrophobicContact CB-CG 3.97Å; W232-R282 HydrophobicContact CG-CB 4.45Å |
| 233 | A | 88.8 | Confident | 89.7 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 56% | 0.562 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -22.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S231 | S231-A233 PolarHBondContact O-N 3.11Å; S231-A233 PolarHBondContact OG-N 2.89Å |
| 234 | R | 89.1 | Confident | 90.3 | Very high | 128 Ų | 128 | 77.6 Ų | 77.6 | 48% | 0.483 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -26.9 | 178.9 | -65.2 | 177.6 | 69.3 | -164.8 | 4.2 | 112.5 | S231 R236 I249 H250 | S231-R234 PolarHBondContact O-N 3.21Å; R234-R236 PolarHBondContact O-N 2.86Å; R234-I249 HydrophobicContact CB-CG2 4.33Å; R234-I249 CarbonylContact O-C 3.6Å; R234-I249 WeakPolarHBondContact O-CA 3.35Å; R234-H250 PolarHBondContact O-N 3.45Å |
| 235 | I | 91.9 | Very high | 91 | Very high | 17 Ų | 17 | 74.8 Ų | 74.8 | 9% | 0.087 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 116.8 | -177.9 | -65.6 | 170.5 | 0 | 0 | 0 | 110.3 | I218 F230 S231 W232 L238 I247 | I218-I235 HydrophobicContact CD1-CD1 3.98Å; I218-I235 HydrophobicContact CG1-CD1 4.16Å; F230-I235 HydrophobicContact CB-CD1 3.91Å; F230-I235 HydrophobicContact CB-CG1 4.1Å; F230-I235 VanDerWaalsContact O-CD1 3.22Å; F230-I235 WeakPolarHBondContact O-CD1 3.31Å; S231-I235 PolarHBondContact O-N 3.26Å; W232-I235 HydrophobicContact CE3-CD1 3.7Å; W232-I235 HydrophobicContact CZ3-CD1 3.81Å; I235-L238 HydrophobicContact CD1-CD2 4.45Å; I235-L238 HydrophobicContact CG2-CD2 3.62Å; I235-L238 HydrophobicContact CG2-CG 3.87Å; I235-I247 HydrophobicContact CD1-CG2 4.38Å; I235-I247 HydrophobicContact CG1-CG2 3.89Å; I235-I247 HydrophobicContact CG2-CG2 4.33Å |
| 236 | R | 87.1 | Confident | 91.5 | Very high | 120 Ų | 120 | 72.7 Ų | 72.7 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -44.2 | 173.4 | -177.6 | 173 | -178.3 | -157 | 9.9 | 112.7 | R234 K248 H250 E252 | R234-R236 PolarHBondContact O-N 2.86Å; R236-K248 WeakPolarHBondContact CB-O 3.49Å; R236-K248 PolarHBondContact N-O 3.14Å; R236-H250 VanDerWaalsContact CB-CD2 3.47Å; R236-H250 WeakPolarHBondContact CB-CD2 3.46Å; R236-H250 WeakPolarHBondContact CB-NE2 3.43Å; R236-H250 WeakPolarHBondContact CG-NE2 3.37Å; R236-E252 IonicContact CZ-OE1 2.72Å; R236-E252 IonicContact NH1-OE1 3.59Å; R236-E252 PolarHBondContact NH1-OE1 2.76Å; R236-E252 IonicContact NH2-OE1 3.62Å; R236-E252 PolarHBondContact NH2-OE1 2.71Å; R236-E252 IonicContact NH2-OE2 3.16Å |
| 237 | K | 89.9 | Confident | 91.8 | Very high | 129 Ų | 129 | 67 Ų | 67 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 135.5 | -173.1 | -177.7 | 173.2 | 179 | 176.7 | 0 | 111.3 | K248 | K237-K248 HydrophobicContact CB-CB 4.36Å; K237-K248 PolarHBondContact N-O 3.02Å; K237-K248 PolarHBondContact O-N 3.44Å |
| 238 | L | 93.1 | Very high | 91.9 | Very high | 29 Ų | 29 | 67.8 Ų | 67.8 | 15% | 0.152 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 140.6 | 168.4 | -59.2 | -179.1 | 0 | 0 | 0 | 110.3 | I218 W232 I235 F245 I247 C274 | I218-L238 HydrophobicContact CD1-CD1 4.22Å; I218-L238 HydrophobicContact CD1-CD2 3.92Å; W232-L238 HydrophobicContact CZ3-CD1 4.25Å; I235-L238 HydrophobicContact CD1-CD2 4.45Å; I235-L238 HydrophobicContact CG2-CD2 3.62Å; I235-L238 HydrophobicContact CG2-CG 3.87Å; L238-F245 HydrophobicContact CB-CE2 4.47Å; L238-F245 HydrophobicContact CD1-CZ 4.36Å; L238-F245 HydrophobicContact CD2-CZ 3.89Å; L238-I247 HydrophobicContact CD2-CB 4.3Å; L238-I247 HydrophobicContact CD2-CG1 3.98Å; L238-I247 HydrophobicContact CD2-CG2 4.09Å; L238-C274 HydrophobicContact CD1-CB 3.41Å; L238-C274 VanDerWaalsContact CD1-CB 3.41Å |
| 239 | S | 91 | Very high | 91.8 | Very high | 38 Ų | 38 | 65.5 Ų | 65.5 | 27% | 0.266 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 160.8 | 177.4 | 48.7 | 0 | 0 | 0 | 0 | 111.1 | F246 | S239-F246 PolarHBondContact N-O 3.11Å; S239-F246 PolarHBondContact O-N 3.48Å |
| 240 | F | 91.6 | Very high | 91.4 | Very high | 38 Ų | 38 | 67.3 Ų | 67.3 | 17% | 0.167 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 152.4 | 172.2 | 80.8 | -76.2 | 0 | 0 | 0 | 111.6 | N244 K268 W271 | F240-N244 CarbonylContact C-O 3.53Å; F240-N244 WeakPolarHBondContact CA-O 3.47Å; F240-N244 WeakPolarHBondContact CB-O 3.44Å; F240-K268 HydrophobicContact CD2-CB 4.49Å; F240-K268 HydrophobicContact CE1-CG 4.22Å; F240-K268 HydrophobicContact CE2-CB 3.82Å; F240-K268 HydrophobicContact CE2-CG 4.14Å; F240-K268 HydrophobicContact CZ-CB 3.86Å; F240-K268 HydrophobicContact CZ-CD 4.09Å; F240-K268 HydrophobicContact CZ-CG 3.65Å; F240-W271 HydrophobicContact CB-CB 4.48Å; F240-W271 HydrophobicContact CB-CG 4.46Å; F240-W271 HydrophobicContact CD1-CB 4.03Å; F240-W271 AromaticContact CD1-CD2 3.53Å; F240-W271 HydrophobicContact CD1-CD2 3.53Å; F240-W271 AromaticContact CD1-CE2 3.95Å; F240-W271 AromaticContact CD1-CE3 3.9Å; F240-W271 HydrophobicContact CD1-CE3 3.9Å; F240-W271 AromaticContact CD1-CG 3.58Å; F240-W271 HydrophobicContact CD1-CG 3.58Å; F240-W271 AromaticContact CE1-CD2 3.76Å; F240-W271 HydrophobicContact CE1-CD2 3.76Å; F240-W271 AromaticContact CE1-CE3 3.62Å; F240-W271 HydrophobicContact CE1-CE3 3.62Å; F240-W271 HydrophobicContact CE1-CG 4.25Å; F240-W271 HydrophobicContact CE1-CH2 4.48Å; F240-W271 HydrophobicContact CE1-CZ3 4.01Å; F240-W271 HydrophobicContact CG-CB 4.43Å; F240-W271 HydrophobicContact CG-CG 4.35Å |
| 241 | K | 89.9 | Confident | 90.4 | Very high | 156 Ų | 156 | 71.2 Ų | 71.2 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 116.6 | 177.6 | -173.5 | -177.7 | 179.2 | -175.1 | 0 | 108.7 | K243 N244 F246 | K241-K243 PolarHBondContact O-N 3.23Å; K241-N244 PolarHBondContact N-O 3.16Å; K241-N244 PolarHBondContact O-N 2.84Å; K241-F246 HydrophobicContact CB-CE2 4.16Å |
| 242 | R | 89.4 | Confident | 88.9 | Confident | 201 Ų | 201 | 76.2 Ų | 76.2 | 76% | 0.758 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | -110.8 | -173 | -61.1 | 177.5 | 176.4 | 163 | -4 | 111.5 | ||
| 243 | K | 93.9 | Very high | 87.4 | Confident | 99 Ų | 99 | 79.6 Ų | 79.6 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -5.3 | 177.1 | -58 | -170.6 | -178.6 | -168.5 | 0 | 113.2 | K241 F261 G262 C267 | K241-K243 PolarHBondContact O-N 3.23Å; K243-F261 WeakPolarHBondContact CD-O 3.18Å; K243-F261 PolarHBondContact O-N 3.11Å; K243-G262 WeakPolarHBondContact CD-O 3.28Å; K243-G262 WeakPolarHBondContact CE-O 3.49Å; K243-G262 PolarHBondContact NZ-O 2.86Å; K243-C267 VanDerWaalsContact C-SG 3.52Å; K243-C267 PolarHBondContact O-SG 3.32Å; K243-C267 VanDerWaalsContact O-SG 3.33Å |
| 244 | N | 93.9 | Very high | 86.6 | Confident | 68 Ų | 68 | 84.1 Ų | 84.1 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 123.1 | -167.7 | -56.4 | 37.9 | 0 | 0 | 0 | 110.5 | F240 K241 F246 F259 C267 | F240-N244 CarbonylContact C-O 3.53Å; F240-N244 WeakPolarHBondContact CA-O 3.47Å; F240-N244 WeakPolarHBondContact CB-O 3.44Å; K241-N244 PolarHBondContact N-O 3.16Å; K241-N244 PolarHBondContact O-N 2.84Å; N244-F246 HydrophobicContact CB-CD2 4.45Å; N244-F246 HydrophobicContact CB-CE2 3.55Å; N244-F246 HydrophobicContact CB-CZ 3.69Å; N244-F259 CarbonylContact C-O 3.47Å; N244-F259 VanDerWaalsContact CA-O 3.28Å; N244-F259 WeakPolarHBondContact CA-O 3.45Å; N244-C267 VanDerWaalsContact C-SG 3.6Å |
| 245 | F | 95.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 141 | 173 | 177.7 | -106.2 | 0 | 0 | 0 | 109.7 | I218 L238 I247 G258 F259 F261 F270 W271 | I218-F245 HydrophobicContact CD1-CE1 3.98Å; I218-F245 HydrophobicContact CD1-CZ 3.82Å; L238-F245 HydrophobicContact CB-CE2 4.47Å; L238-F245 HydrophobicContact CD1-CZ 4.36Å; L238-F245 HydrophobicContact CD2-CZ 3.89Å; F245-I247 HydrophobicContact CD1-CG1 4.22Å; F245-I247 HydrophobicContact CE1-CD1 4Å; F245-I247 HydrophobicContact CE1-CG1 3.6Å; F245-I247 HydrophobicContact CZ-CG1 4.32Å; F245-G258 CarbonylContact O-C 3.4Å; F245-G258 VanDerWaalsContact O-CA 3.32Å; F245-G258 WeakPolarHBondContact O-CA 3.45Å; F245-F259 HydrophobicContact CD1-CD2 4.3Å; F245-F259 PolarHBondContact N-O 3.44Å; F245-F259 PolarHBondContact O-N 2.72Å; F245-F261 HydrophobicContact CB-CD2 4.35Å; F245-F261 HydrophobicContact CB-CE2 3.76Å; F245-F261 HydrophobicContact CG-CE2 4.43Å; F245-F270 HydrophobicContact CD1-CD1 4.32Å; F245-F270 HydrophobicContact CD1-CE1 4.22Å; F245-F270 HydrophobicContact CD2-CD1 4.34Å; F245-F270 HydrophobicContact CE1-CD1 4.14Å; F245-F270 AromaticContact CE1-CE1 3.79Å; F245-F270 HydrophobicContact CE1-CE1 3.79Å; F245-F270 HydrophobicContact CE2-CD1 4.16Å; F245-F270 HydrophobicContact CG-CD1 4.41Å; F245-F270 HydrophobicContact CZ-CD1 4.05Å; F245-F270 AromaticContact CZ-CE1 3.96Å; F245-F270 HydrophobicContact CZ-CE1 3.96Å; F245-W271 HydrophobicContact CD2-CB 4.06Å; F245-W271 HydrophobicContact CE2-CB 4.03Å; F245-W271 AromaticContact CE2-CD1 3.97Å; F245-W271 HydrophobicContact CE2-CG 4.43Å |
| 246 | F | 94.1 | Very high | 85.7 | Confident | 59 Ų | 59 | 85.8 Ų | 85.8 | 26% | 0.259 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 126.9 | -174.6 | -63.3 | -85.2 | 0 | 0 | 0 | 111.9 | S239 K241 N244 A256 I257 | S239-F246 PolarHBondContact N-O 3.11Å; S239-F246 PolarHBondContact O-N 3.48Å; K241-F246 HydrophobicContact CB-CE2 4.16Å; N244-F246 HydrophobicContact CB-CD2 4.45Å; N244-F246 HydrophobicContact CB-CE2 3.55Å; N244-F246 HydrophobicContact CB-CZ 3.69Å; F246-A256 HydrophobicContact CD1-CB 4.32Å; F246-I257 WeakPolarHBondContact CA-O 3.42Å |
| 247 | I | 94.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 122.9 | 173.3 | -50.3 | 177.9 | 0 | 0 | 0 | 108.4 | I218 F230 I235 L238 F245 I249 A256 I257 F259 | I218-I247 HydrophobicContact CD1-CD1 3.98Å; I218-I247 HydrophobicContact CD1-CG1 4.42Å; I218-I247 HydrophobicContact CG2-CD1 4.44Å; F230-I247 HydrophobicContact CB-CD1 4.37Å; F230-I247 HydrophobicContact CD2-CD1 3.44Å; F230-I247 VanDerWaalsContact CD2-CD1 3.44Å; F230-I247 HydrophobicContact CE2-CD1 3.86Å; F230-I247 HydrophobicContact CG-CD1 3.97Å; I235-I247 HydrophobicContact CD1-CG2 4.38Å; I235-I247 HydrophobicContact CG1-CG2 3.89Å; I235-I247 HydrophobicContact CG2-CG2 4.33Å; L238-I247 HydrophobicContact CD2-CB 4.3Å; L238-I247 HydrophobicContact CD2-CG1 3.98Å; L238-I247 HydrophobicContact CD2-CG2 4.09Å; F245-I247 HydrophobicContact CD1-CG1 4.22Å; F245-I247 HydrophobicContact CE1-CD1 4Å; F245-I247 HydrophobicContact CE1-CG1 3.6Å; F245-I247 HydrophobicContact CZ-CG1 4.32Å; I247-I249 HydrophobicContact CG2-CG1 4.06Å; I247-A256 CarbonylContact O-C 3.42Å; I247-A256 WeakPolarHBondContact O-CA 3.49Å; I247-I257 PolarHBondContact N-O 2.72Å; I247-I257 PolarHBondContact O-N 3.04Å; I247-F259 HydrophobicContact CD1-CE2 4.04Å |
| 248 | K | 90.7 | Very high | 86 | Confident | 91 Ų | 91 | 77.6 Ų | 77.6 | 40% | 0.396 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 137.5 | 165 | -67.3 | -164.8 | 174.7 | -110.5 | 0 | 110 | R236 K237 A256 | R236-K248 WeakPolarHBondContact CB-O 3.49Å; R236-K248 PolarHBondContact N-O 3.14Å; K237-K248 HydrophobicContact CB-CB 4.36Å; K237-K248 PolarHBondContact N-O 3.02Å; K237-K248 PolarHBondContact O-N 3.44Å; K248-A256 HydrophobicContact CG-CB 3.86Å |
| 249 | I | 89.7 | Confident | 86.1 | Confident | 16 Ų | 16 | 76.7 Ų | 76.7 | 8% | 0.082 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 159.8 | -171.9 | -65.2 | 177 | 0 | 0 | 0 | 109.7 | F230 R234 I247 I257 | F230-I249 HydrophobicContact CD1-CD1 3.63Å; F230-I249 HydrophobicContact CE1-CD1 3.84Å; R234-I249 HydrophobicContact CB-CG2 4.33Å; R234-I249 CarbonylContact O-C 3.6Å; R234-I249 WeakPolarHBondContact O-CA 3.35Å; I247-I249 HydrophobicContact CG2-CG1 4.06Å; I249-I257 HydrophobicContact CD1-CD1 3.71Å |
| 250 | H | 83.5 | Confident | 86.3 | Confident | 99 Ų | 99 | 76.7 Ų | 76.7 | 46% | 0.458 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -93.5 | 149.7 | 169.6 | -80 | -81.3 | 0 | 0 | 0 | 111.9 | R234 R236 | R234-H250 PolarHBondContact O-N 3.45Å; R236-H250 VanDerWaalsContact CB-CD2 3.47Å; R236-H250 WeakPolarHBondContact CB-CD2 3.46Å; R236-H250 WeakPolarHBondContact CB-NE2 3.43Å; R236-H250 WeakPolarHBondContact CG-NE2 3.37Å |
| 251 | P | 73.5 | Confident | 86.4 | Confident | 89 Ų | 89 | 75.3 Ų | 75.3 | 58% | 0.578 | 38% | 0.382 | S | S | * | . | S | Bend | cis | -75.1 | -180 | -2.4 | 32.3 | -38.2 | 0 | 0 | 0 | 113.8 | G253 Y254 | P251-G253 PolarHBondContact O-N 2.82Å; P251-Y254 HydrophobicContact CG-CD2 4.49Å; P251-Y254 HydrophobicContact CG-CE2 4.22Å |
| 252 | E | 62.2 | Low | 86.4 | Confident | 146 Ų | 146 | 70.1 Ų | 70.1 | 68% | 0.682 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 118.1 | 173.5 | -55.4 | -160.3 | 94.5 | 0 | 0 | 110.3 | R236 | R236-E252 IonicContact CZ-OE1 2.72Å; R236-E252 IonicContact NH1-OE1 3.59Å; R236-E252 PolarHBondContact NH1-OE1 2.76Å; R236-E252 IonicContact NH2-OE1 3.62Å; R236-E252 PolarHBondContact NH2-OE1 2.71Å; R236-E252 IonicContact NH2-OE2 3.16Å |
| 253 | G | 62.4 | Low | 86.4 | Confident | 80 Ų | 80 | 63.1 Ų | 63.1 | 83% | 0.825 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 150.6 | -28.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P251 | P251-G253 PolarHBondContact O-N 2.82Š|
| 254 | Y | 71.3 | Confident | 86.3 | Confident | 164 Ų | 164 | 66.1 Ų | 66.1 | 64% | 0.643 | 36% | 0.361 | S | S | * | . | trans | -78.6 | 139.9 | 176.3 | -70.9 | -83.9 | 0 | 0 | 0 | 113.1 | P251 | P251-Y254 HydrophobicContact CG-CD2 4.49Å; P251-Y254 HydrophobicContact CG-CE2 4.22Å | ||
| 255 | D | 78.8 | Confident | 86 | Confident | 148 Ų | 148 | 66.6 Ų | 66.6 | 79% | 0.791 | 36% | 0.364 | S | S | * | . | trans | -62.9 | 160.5 | 174.3 | -95 | -43.8 | 0 | 0 | 0 | 113.8 | I257 | D255-I257 PolarHBondContact O-N 2.97Š| ||
| 256 | A | 84.4 | Confident | 85.7 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 26% | 0.264 | 37% | 0.374 | S | S | . | . | trans | -80.3 | 110.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F246 I247 K248 G258 | F246-A256 HydrophobicContact CD1-CB 4.32Å; I247-A256 CarbonylContact O-C 3.42Å; I247-A256 WeakPolarHBondContact O-CA 3.49Å; K248-A256 HydrophobicContact CG-CB 3.86Å; A256-G258 PolarHBondContact O-N 3.44Å | ||
| 257 | I | 90.3 | Very high | 85.7 | Confident | 61 Ų | 61 | 66 Ų | 66 | 31% | 0.313 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 120.9 | 177.4 | -56.9 | 179 | 0 | 0 | 0 | 108.7 | F230 F246 I247 I249 D255 F259 | F230-I257 HydrophobicContact CD1-CD1 4.44Å; F230-I257 HydrophobicContact CE1-CD1 3.45Å; F230-I257 VanDerWaalsContact CE1-CD1 3.45Å; F230-I257 HydrophobicContact CZ-CD1 3.66Å; F230-I257 HydrophobicContact CZ-CG2 4.21Å; F246-I257 WeakPolarHBondContact CA-O 3.42Å; I247-I257 PolarHBondContact N-O 2.72Å; I247-I257 PolarHBondContact O-N 3.04Å; I249-I257 HydrophobicContact CD1-CD1 3.71Å; D255-I257 PolarHBondContact O-N 2.97Å; I257-F259 HydrophobicContact CG2-CE2 3.71Å; I257-F259 HydrophobicContact CG2-CZ 3.98Å |
| 258 | G | 91.2 | Very high | 85.5 | Confident | 15 Ų | 15 | 70.1 Ų | 70.1 | 16% | 0.155 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 141.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | F245 A256 | F245-G258 CarbonylContact O-C 3.4Å; F245-G258 VanDerWaalsContact O-CA 3.32Å; F245-G258 WeakPolarHBondContact O-CA 3.45Å; A256-G258 PolarHBondContact O-N 3.44Å |
| 259 | F | 95.5 | Very high | 85.4 | Confident | 11 Ų | 11 | 68 Ų | 68 | 5% | 0.048 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139.5 | 171.7 | -62.3 | -85.8 | 0 | 0 | 0 | 110.2 | A201 K202 V209 I211 V220 F230 N244 F245 I247 I257 | A201-F259 HydrophobicContact CB-CB 4.38Å; K202-F259 CarbonylContact O-C 3.57Å; K202-F259 VanDerWaalsContact O-CA 3.22Å; K202-F259 WeakPolarHBondContact O-CA 3.44Å; V209-F259 HydrophobicContact CG2-CD1 3.91Å; V209-F259 HydrophobicContact CG2-CE1 4.09Å; I211-F259 HydrophobicContact CD1-CB 4.05Å; I211-F259 HydrophobicContact CD1-CD1 4.46Å; I211-F259 HydrophobicContact CD1-CG 4.11Å; I211-F259 HydrophobicContact CG2-CD1 4.1Å; I211-F259 HydrophobicContact CG2-CE1 4.03Å; I211-F259 HydrophobicContact CG2-CZ 4.49Å; V220-F259 HydrophobicContact CG1-CE1 4.31Å; V220-F259 HydrophobicContact CG2-CE1 4.2Å; V220-F259 HydrophobicContact CG2-CZ 3.77Å; F230-F259 HydrophobicContact CE2-CE2 4.13Å; F230-F259 HydrophobicContact CE2-CZ 4.03Å; N244-F259 CarbonylContact C-O 3.47Å; N244-F259 VanDerWaalsContact CA-O 3.28Å; N244-F259 WeakPolarHBondContact CA-O 3.45Å; F245-F259 HydrophobicContact CD1-CD2 4.3Å; F245-F259 PolarHBondContact N-O 3.44Å; F245-F259 PolarHBondContact O-N 2.72Å; I247-F259 HydrophobicContact CD1-CE2 4.04Å; I257-F259 HydrophobicContact CG2-CE2 3.71Å; I257-F259 HydrophobicContact CG2-CZ 3.98Å |
| 260 | S | 95 | Very high | 85.6 | Confident | 38 Ų | 38 | 67.3 Ų | 67.3 | 27% | 0.266 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.9 | 178.8 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | A201 K202 | A201-S260 CarbonylContact C-O 3.49Å; A201-S260 VanDerWaalsContact CA-O 3.31Å; A201-S260 WeakPolarHBondContact CA-O 3.34Å; K202-S260 PolarHBondContact N-O 2.95Å; K202-S260 PolarHBondContact O-N 2.97Å |
| 261 | F | 94.1 | Very high | 86.1 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 4% | 0.039 | 35% | 0.354 | C | S | . | . | trans | -93.1 | 170.7 | 176.8 | -74.1 | -100 | 0 | 0 | 0 | 112.7 | N199 I211 K243 F245 E266 C267 F270 | N199-F261 HydrophobicContact CB-CE1 4.08Å; I211-F261 HydrophobicContact CD1-CE1 4.49Å; I211-F261 HydrophobicContact CD1-CE2 3.98Å; I211-F261 HydrophobicContact CD1-CZ 3.64Å; I211-F261 HydrophobicContact CG1-CZ 4.27Å; K243-F261 WeakPolarHBondContact CD-O 3.18Å; K243-F261 PolarHBondContact O-N 3.11Å; F245-F261 HydrophobicContact CB-CD2 4.35Å; F245-F261 HydrophobicContact CB-CE2 3.76Å; F245-F261 HydrophobicContact CG-CE2 4.43Å; F261-E266 HydrophobicContact CB-CB 4.21Å; F261-E266 HydrophobicContact CD1-CB 3.66Å; F261-E266 HydrophobicContact CE1-CB 4.4Å; F261-E266 HydrophobicContact CG-CB 4.25Å; F261-C267 HydrophobicContact CB-CB 3.95Å; F261-C267 HydrophobicContact CD2-CB 3.65Å; F261-C267 HydrophobicContact CE2-CB 4.33Å; F261-C267 HydrophobicContact CG-CB 3.86Å; F261-F270 HydrophobicContact CE1-CB 3.95Å; F261-F270 HydrophobicContact CE1-CD2 4.48Å; F261-F270 HydrophobicContact CE1-CG 4.15Å; F261-F270 HydrophobicContact CE2-CB 4.48Å; F261-F270 HydrophobicContact CE2-CD1 4.33Å; F261-F270 HydrophobicContact CZ-CB 3.6Å; F261-F270 AromaticContact CZ-CD1 3.67Å; F261-F270 HydrophobicContact CZ-CD1 3.67Å; F261-F270 HydrophobicContact CZ-CD2 4.18Å; F261-F270 HydrophobicContact CZ-CE1 4.36Å; F261-F270 AromaticContact CZ-CG 3.55Å; F261-F270 HydrophobicContact CZ-CG 3.55Å | ||
| 262 | G | 90.3 | Very high | 87 | Confident | 46 Ų | 46 | 61.8 Ų | 61.8 | 47% | 0.474 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -65.7 | -44.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K243 E266 | K243-G262 WeakPolarHBondContact CD-O 3.28Å; K243-G262 WeakPolarHBondContact CE-O 3.49Å; K243-G262 PolarHBondContact NZ-O 2.86Å; G262-E266 VanDerWaalsContact CA-OE2 3.22Å; G262-E266 WeakPolarHBondContact CA-OE2 3.39Å; G262-E266 PolarHBondContact N-OE2 3.43Å |
| 263 | T | 90.2 | Very high | 88.4 | Confident | 55 Ų | 55 | 55.8 Ų | 55.8 | 34% | 0.337 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -127.9 | 166 | 175.6 | 76.4 | 0 | 0 | 0 | 0 | 114.3 | N265 E266 C267 | T263-N265 PolarHBondContact O-N 3.02Å; T263-N265 PolarHBondContact OG1-N 2.83Å; T263-E266 WeakPolarHBondContact CB-OE1 3.13Å; T263-E266 WeakPolarHBondContact CG2-OE1 3.29Å; T263-E266 VanDerWaalsContact N-CD 3.31Å; T263-E266 PolarHBondContact N-OE1 3.29Å; T263-E266 PolarHBondContact N-OE2 2.86Å; T263-E266 PolarHBondContact OG1-N 3.08Å; T263-E266 PolarHBondContact OG1-OE1 2.8Å; T263-C267 PolarHBondContact O-N 2.86Å |
| 264 | R | 90.7 | Very high | 89.9 | Confident | 162 Ų | 162 | 52 Ų | 52 | 61% | 0.611 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.3 | -27.4 | 169.2 | 177.7 | -179.3 | -179.7 | -157 | 1.4 | 112.1 | K268 | R264-K268 VanDerWaalsContact O-CB 3.24Å; R264-K268 WeakPolarHBondContact O-CB 3.24Å; R264-K268 PolarHBondContact O-N 2.62Å; R264-K268 VanDerWaalsContact O-N 3.1Å |
| 265 | N | 87.6 | Confident | 91 | Very high | 77 Ų | 77 | 46.1 Ų | 46.1 | 41% | 0.412 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -76.4 | -45.9 | -175.9 | -73.2 | -2.6 | 0 | 0 | 0 | 110.5 | D55 L57 T263 K268 S269 | D55-N265 PolarHBondContact OD2-ND2 3.23Å; L57-N265 HydrophobicContact CD1-CB 4.11Å; T263-N265 PolarHBondContact O-N 3.02Å; T263-N265 PolarHBondContact OG1-N 2.83Å; N265-K268 PolarHBondContact O-N 2.64Å; N265-S269 WeakPolarHBondContact O-CB 3.44Å; N265-S269 PolarHBondContact O-N 3.18Å |
| 266 | E | 90.6 | Very high | 91.6 | Very high | 47 Ų | 47 | 40 Ų | 40 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.7 | -54.6 | 170.2 | -66.9 | 130.9 | -122.6 | 0 | 0 | 111.4 | L57 F261 G262 T263 K268 S269 F270 | L57-E266 HydrophobicContact CD1-CG 4.35Å; L57-E266 HydrophobicContact CD2-CG 4.27Å; F261-E266 HydrophobicContact CB-CB 4.21Å; F261-E266 HydrophobicContact CD1-CB 3.66Å; F261-E266 HydrophobicContact CE1-CB 4.4Å; F261-E266 HydrophobicContact CG-CB 4.25Å; G262-E266 VanDerWaalsContact CA-OE2 3.22Å; G262-E266 WeakPolarHBondContact CA-OE2 3.39Å; G262-E266 PolarHBondContact N-OE2 3.43Å; T263-E266 WeakPolarHBondContact CB-OE1 3.13Å; T263-E266 WeakPolarHBondContact CG2-OE1 3.29Å; T263-E266 VanDerWaalsContact N-CD 3.31Å; T263-E266 PolarHBondContact N-OE1 3.29Å; T263-E266 PolarHBondContact N-OE2 2.86Å; T263-E266 PolarHBondContact OG1-N 3.08Å; T263-E266 PolarHBondContact OG1-OE1 2.8Å; E266-K268 VanDerWaalsContact C-N 3.26Å; E266-K268 PolarHBondContact O-N 2.93Å; E266-S269 WeakPolarHBondContact O-CA 3.5Å; E266-S269 WeakPolarHBondContact O-CB 3.41Å; E266-S269 PolarHBondContact O-N 3.1Å; E266-F270 PolarHBondContact O-N 2.8Å |
| 267 | C | 92.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.4 | -41.6 | -178 | -172.8 | 0 | 0 | 0 | 0 | 112.4 | K243 N244 F261 T263 W271 | K243-C267 VanDerWaalsContact C-SG 3.52Å; K243-C267 PolarHBondContact O-SG 3.32Å; K243-C267 VanDerWaalsContact O-SG 3.33Å; N244-C267 VanDerWaalsContact C-SG 3.6Å; F261-C267 HydrophobicContact CB-CB 3.95Å; F261-C267 HydrophobicContact CD2-CB 3.65Å; F261-C267 HydrophobicContact CE2-CB 4.33Å; F261-C267 HydrophobicContact CG-CB 3.86Å; T263-C267 PolarHBondContact O-N 2.86Å; C267-W271 VanDerWaalsContact O-CB 3.27Å; C267-W271 WeakPolarHBondContact O-CB 3.4Å; C267-W271 PolarHBondContact O-N 2.71Å |
| 268 | K | 90.7 | Very high | 92.3 | Very high | 87 Ų | 87 | 38.8 Ų | 38.8 | 38% | 0.378 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -70.7 | -34.9 | 176.2 | -175.9 | -179.3 | 178.6 | -167.5 | 0 | 112.5 | F240 R264 N265 E266 K272 | F240-K268 HydrophobicContact CD2-CB 4.49Å; F240-K268 HydrophobicContact CE1-CG 4.22Å; F240-K268 HydrophobicContact CE2-CB 3.82Å; F240-K268 HydrophobicContact CE2-CG 4.14Å; F240-K268 HydrophobicContact CZ-CB 3.86Å; F240-K268 HydrophobicContact CZ-CD 4.09Å; F240-K268 HydrophobicContact CZ-CG 3.65Å; R264-K268 VanDerWaalsContact O-CB 3.24Å; R264-K268 WeakPolarHBondContact O-CB 3.24Å; R264-K268 PolarHBondContact O-N 2.62Å; R264-K268 VanDerWaalsContact O-N 3.1Å; N265-K268 PolarHBondContact O-N 2.64Å; E266-K268 VanDerWaalsContact C-N 3.26Å; E266-K268 PolarHBondContact O-N 2.93Å; K268-K272 PolarHBondContact O-N 2.79Å |
| 269 | S | 89.4 | Confident | 92.3 | Very high | 46 Ų | 46 | 38.7 Ų | 38.7 | 32% | 0.322 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.9 | -49 | 177 | -156.3 | 0 | 0 | 0 | 0 | 110.9 | N265 E266 W271 K272 Q273 | N265-S269 WeakPolarHBondContact O-CB 3.44Å; N265-S269 PolarHBondContact O-N 3.18Å; E266-S269 WeakPolarHBondContact O-CA 3.5Å; E266-S269 WeakPolarHBondContact O-CB 3.41Å; E266-S269 PolarHBondContact O-N 3.1Å; S269-W271 VanDerWaalsContact C-N 3.32Å; S269-W271 PolarHBondContact O-N 3.09Å; S269-K272 WeakPolarHBondContact O-CB 3.46Å; S269-K272 PolarHBondContact O-N 3.13Å; S269-K272 VanDerWaalsContact O-N 3.08Å; S269-Q273 PolarHBondContact O-N 3.05Å |
| 270 | F | 93.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59 | -42 | 174.7 | -169.3 | -98.5 | 0 | 0 | 0 | 112.1 | N199 I211 V213 I218 F245 F261 E266 K272 Q273 C274 | N199-F270 HydrophobicContact CB-CD2 4.02Å; N199-F270 HydrophobicContact CB-CE2 4.21Å; N199-F270 VanDerWaalsContact OD1-CD2 3.28Å; N199-F270 WeakPolarHBondContact OD1-CD2 3.41Å; I211-F270 HydrophobicContact CB-CZ 4.06Å; I211-F270 HydrophobicContact CD1-CD1 4.38Å; I211-F270 HydrophobicContact CD1-CE1 3.82Å; I211-F270 HydrophobicContact CD1-CZ 3.9Å; I211-F270 HydrophobicContact CG1-CE1 4.22Å; I211-F270 HydrophobicContact CG1-CE2 4.09Å; I211-F270 HydrophobicContact CG1-CZ 3.76Å; V213-F270 HydrophobicContact CG2-CD2 4.06Å; V213-F270 HydrophobicContact CG2-CE1 4.42Å; V213-F270 HydrophobicContact CG2-CE2 3.56Å; V213-F270 HydrophobicContact CG2-CZ 3.76Å; I218-F270 HydrophobicContact CG2-CE1 4.3Å; I218-F270 HydrophobicContact CG2-CZ 4.06Å; F245-F270 HydrophobicContact CD1-CD1 4.32Å; F245-F270 HydrophobicContact CD1-CE1 4.22Å; F245-F270 HydrophobicContact CD2-CD1 4.34Å; F245-F270 HydrophobicContact CE1-CD1 4.14Å; F245-F270 AromaticContact CE1-CE1 3.79Å; F245-F270 HydrophobicContact CE1-CE1 3.79Å; F245-F270 HydrophobicContact CE2-CD1 4.16Å; F245-F270 HydrophobicContact CG-CD1 4.41Å; F245-F270 HydrophobicContact CZ-CD1 4.05Å; F245-F270 AromaticContact CZ-CE1 3.96Å; F245-F270 HydrophobicContact CZ-CE1 3.96Å; F261-F270 HydrophobicContact CE1-CB 3.95Å; F261-F270 HydrophobicContact CE1-CD2 4.48Å; F261-F270 HydrophobicContact CE1-CG 4.15Å; F261-F270 HydrophobicContact CE2-CB 4.48Å; F261-F270 HydrophobicContact CE2-CD1 4.33Å; F261-F270 HydrophobicContact CZ-CB 3.6Å; F261-F270 AromaticContact CZ-CD1 3.67Å; F261-F270 HydrophobicContact CZ-CD1 3.67Å; F261-F270 HydrophobicContact CZ-CD2 4.18Å; F261-F270 HydrophobicContact CZ-CE1 4.36Å; F261-F270 AromaticContact CZ-CG 3.55Å; F261-F270 HydrophobicContact CZ-CG 3.55Å; E266-F270 PolarHBondContact O-N 2.8Å; F270-K272 PolarHBondContact O-N 3.48Å; F270-Q273 PolarHBondContact O-N 3.49Å; F270-C274 VanDerWaalsContact CE1-SG 3.57Å; F270-C274 PolarHBondContact O-N 3.3Å; F270-C274 PolarHBondContact O-SG 2.87Å |
| 271 | W | 93.8 | Very high | 92.2 | Very high | 20 Ų | 20 | 38 Ų | 38 | 8% | 0.076 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.7 | -37.3 | 174.6 | 174 | 83.2 | 0 | 0 | 0 | 113.2 | F240 F245 C267 S269 I275 S300 F302 | F240-W271 HydrophobicContact CB-CB 4.48Å; F240-W271 HydrophobicContact CB-CG 4.46Å; F240-W271 HydrophobicContact CD1-CB 4.03Å; F240-W271 AromaticContact CD1-CD2 3.53Å; F240-W271 HydrophobicContact CD1-CD2 3.53Å; F240-W271 AromaticContact CD1-CE2 3.95Å; F240-W271 AromaticContact CD1-CE3 3.9Å; F240-W271 HydrophobicContact CD1-CE3 3.9Å; F240-W271 AromaticContact CD1-CG 3.58Å; F240-W271 HydrophobicContact CD1-CG 3.58Å; F240-W271 AromaticContact CE1-CD2 3.76Å; F240-W271 HydrophobicContact CE1-CD2 3.76Å; F240-W271 AromaticContact CE1-CE3 3.62Å; F240-W271 HydrophobicContact CE1-CE3 3.62Å; F240-W271 HydrophobicContact CE1-CG 4.25Å; F240-W271 HydrophobicContact CE1-CH2 4.48Å; F240-W271 HydrophobicContact CE1-CZ3 4.01Å; F240-W271 HydrophobicContact CG-CB 4.43Å; F240-W271 HydrophobicContact CG-CG 4.35Å; F245-W271 HydrophobicContact CD2-CB 4.06Å; F245-W271 HydrophobicContact CE2-CB 4.03Å; F245-W271 AromaticContact CE2-CD1 3.97Å; F245-W271 HydrophobicContact CE2-CG 4.43Å; C267-W271 VanDerWaalsContact O-CB 3.27Å; C267-W271 WeakPolarHBondContact O-CB 3.4Å; C267-W271 PolarHBondContact O-N 2.71Å; S269-W271 VanDerWaalsContact C-N 3.32Å; S269-W271 PolarHBondContact O-N 3.09Å; W271-I275 HydrophobicContact CD2-CD1 3.94Å; W271-I275 VanDerWaalsContact CE2-CD1 3.44Å; W271-I275 HydrophobicContact CE3-CD1 4.32Å; W271-I275 HydrophobicContact CH2-CD1 3.85Å; W271-I275 HydrophobicContact CZ2-CD1 3.4Å; W271-I275 VanDerWaalsContact CZ2-CD1 3.4Å; W271-I275 HydrophobicContact CZ3-CD1 4.28Å; W271-I275 WeakPolarHBondContact O-CG1 3.19Å; W271-I275 PolarHBondContact O-N 2.93Å; W271-S300 VanDerWaalsContact CH2-O 3.24Å; W271-S300 WeakPolarHBondContact CH2-O 3.42Å; W271-F302 HydrophobicContact CH2-CB 3.79Å; W271-F302 HydrophobicContact CZ3-CB 3.62Å |
| 272 | K | 91.5 | Very high | 92 | Very high | 53 Ų | 53 | 43.7 Ų | 43.7 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -54.5 | 169 | -80.2 | 179.9 | 149.3 | -153.3 | 0 | 110.5 | D62 K268 S269 F270 C274 I275 E276 F302 | D62-K272 IonicContact OD2-NZ 2.76Å; K268-K272 PolarHBondContact O-N 2.79Å; S269-K272 WeakPolarHBondContact O-CB 3.46Å; S269-K272 PolarHBondContact O-N 3.13Å; S269-K272 VanDerWaalsContact O-N 3.08Å; F270-K272 PolarHBondContact O-N 3.48Å; K272-C274 VanDerWaalsContact C-N 3.26Å; K272-C274 PolarHBondContact O-N 3.08Å; K272-I275 CarbonylContact O-C 3.58Å; K272-I275 WeakPolarHBondContact O-CA 3.44Å; K272-I275 WeakPolarHBondContact O-CB 3.35Å; K272-I275 PolarHBondContact O-N 2.85Å; K272-E276 WeakPolarHBondContact O-CG 3.37Å; K272-E276 PolarHBondContact O-N 2.89Å; K272-F302 HydrophobicContact CB-CD1 4.28Å; K272-F302 HydrophobicContact CB-CE1 4.22Å; K272-F302 HydrophobicContact CB-CZ 4.47Å; K272-F302 HydrophobicContact CD-CD2 4.29Å; K272-F302 HydrophobicContact CD-CE2 4.23Å; K272-F302 HydrophobicContact CG-CD1 4.05Å; K272-F302 HydrophobicContact CG-CD2 4Å; K272-F302 HydrophobicContact CG-CE1 4.28Å; K272-F302 HydrophobicContact CG-CE2 4.22Å; K272-F302 HydrophobicContact CG-CG 3.91Å; K272-F302 HydrophobicContact CG-CZ 4.35Å |
| 273 | Q | 92.5 | Very high | 91.9 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 9% | 0.093 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.9 | -42.5 | -176 | -174.3 | -177.7 | -4.9 | 0 | 0 | 111.6 | V213 S269 F270 I275 E276 H277 | V213-Q273 HydrophobicContact CB-CG 4.18Å; V213-Q273 HydrophobicContact CG1-CG 4.49Å; V213-Q273 HydrophobicContact CG2-CB 4.38Å; V213-Q273 HydrophobicContact CG2-CG 3.96Å; S269-Q273 PolarHBondContact O-N 3.05Å; F270-Q273 PolarHBondContact O-N 3.49Å; Q273-I275 PolarHBondContact O-N 3.39Å; Q273-E276 PolarHBondContact O-N 3.41Å; Q273-H277 WeakPolarHBondContact O-CB 3.11Å; Q273-H277 PolarHBondContact O-N 3.24Å; Q273-H277 PolarHBondContact O-ND1 2.9Å |
| 274 | C | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -40.3 | 174.2 | -64.6 | 0 | 0 | 0 | 0 | 113.1 | V213 I218 W232 L238 F270 K272 H278 | V213-C274 VanDerWaalsContact CG2-SG 3.54Å; I218-C274 HydrophobicContact CD1-CB 4.37Å; W232-C274 HydrophobicContact CH2-CB 4.17Å; L238-C274 HydrophobicContact CD1-CB 3.41Å; L238-C274 VanDerWaalsContact CD1-CB 3.41Å; F270-C274 VanDerWaalsContact CE1-SG 3.57Å; F270-C274 PolarHBondContact O-N 3.3Å; F270-C274 PolarHBondContact O-SG 2.87Å; K272-C274 VanDerWaalsContact C-N 3.26Å; K272-C274 PolarHBondContact O-N 3.08Å; C274-H278 VanDerWaalsContact O-CB 3.25Å; C274-H278 WeakPolarHBondContact O-CB 3.38Å; C274-H278 PolarHBondContact O-N 2.81Å |
| 275 | I | 92.4 | Very high | 91.2 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 21% | 0.21 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.7 | -39.5 | 176.4 | -70.4 | 170.7 | 0 | 0 | 0 | 110.9 | W271 K272 Q273 A279 F302 | W271-I275 HydrophobicContact CD2-CD1 3.94Å; W271-I275 VanDerWaalsContact CE2-CD1 3.44Å; W271-I275 HydrophobicContact CE3-CD1 4.32Å; W271-I275 HydrophobicContact CH2-CD1 3.85Å; W271-I275 HydrophobicContact CZ2-CD1 3.4Å; W271-I275 VanDerWaalsContact CZ2-CD1 3.4Å; W271-I275 HydrophobicContact CZ3-CD1 4.28Å; W271-I275 WeakPolarHBondContact O-CG1 3.19Å; W271-I275 PolarHBondContact O-N 2.93Å; K272-I275 CarbonylContact O-C 3.58Å; K272-I275 WeakPolarHBondContact O-CA 3.44Å; K272-I275 WeakPolarHBondContact O-CB 3.35Å; K272-I275 PolarHBondContact O-N 2.85Å; Q273-I275 PolarHBondContact O-N 3.39Å; I275-A279 WeakPolarHBondContact O-CB 3.35Å; I275-A279 PolarHBondContact O-N 3.35Å; I275-F302 HydrophobicContact CB-CD1 4.13Å; I275-F302 HydrophobicContact CB-CE1 4.43Å; I275-F302 HydrophobicContact CD1-CD1 4.49Å; I275-F302 HydrophobicContact CG2-CD1 3.85Å; I275-F302 HydrophobicContact CG2-CE1 4.15Å |
| 276 | E | 93 | Very high | 90.6 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 9% | 0.089 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -49.2 | 175.9 | -63.3 | -178.2 | 116 | 0 | 0 | 111.2 | K84 F85 K272 Q273 A279 F280 F302 Y304 | K84-E276 WeakPolarHBondContact CE-OE1 3.35Å; K84-E276 IonicContact NZ-OE1 3.82Å; K84-E276 PolarHBondContact NZ-OE1 2.88Å; K84-E276 IonicContact NZ-OE2 3.35Å; F85-E276 HydrophobicContact CE1-CB 4Å; F85-E276 HydrophobicContact CZ-CB 4.03Å; K272-E276 WeakPolarHBondContact O-CG 3.37Å; K272-E276 PolarHBondContact O-N 2.89Å; Q273-E276 PolarHBondContact O-N 3.41Å; E276-A279 PolarHBondContact O-N 3.18Å; E276-F280 WeakPolarHBondContact O-CB 3.39Å; E276-F280 PolarHBondContact O-N 3Å; E276-F302 HydrophobicContact CG-CE1 3.53Å; E276-F302 HydrophobicContact CG-CZ 3.73Å; E276-Y304 HydrophobicContact CB-CD2 4.17Å; E276-Y304 HydrophobicContact CG-CD2 4.19Å |
| 277 | H | 94.8 | Very high | 89.3 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.8 | -43.3 | -179.2 | -74.4 | 49.9 | 0 | 0 | 0 | 111.8 | K84 F85 V213 W232 Q273 A279 F280 F281 | K84-H277 PolarHBondContact O-CE1 2.77Å; F85-H277 AromaticContact CD1-CE1 3.82Å; F85-H277 AromaticContact CD1-ND1 3.81Å; F85-H277 AromaticContact CE1-CE1 3.93Å; F85-H277 AromaticContact CE1-ND1 3.6Å; V213-H277 HydrophobicContact CG1-CB 3.54Å; V213-H277 VanDerWaalsContact CG1-CG 3.47Å; W232-H277 HydrophobicContact CZ2-CB 3.86Å; Q273-H277 WeakPolarHBondContact O-CB 3.11Å; Q273-H277 PolarHBondContact O-N 3.24Å; Q273-H277 PolarHBondContact O-ND1 2.9Å; H277-A279 VanDerWaalsContact C-N 3.33Å; H277-A279 PolarHBondContact O-N 2.98Å; H277-F280 PolarHBondContact O-N 3.03Å; H277-F281 HydrophobicContact CB-CD2 4.34Å; H277-F281 WeakPolarHBondContact O-CB 3.24Å; H277-F281 WeakPolarHBondContact O-CD2 3.29Å; H277-F281 PolarHBondContact O-N 3.26Å |
| 278 | H | 93.4 | Very high | 87.6 | Confident | 60 Ų | 60 | 55 Ų | 55 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 171.9 | 177.4 | -75.6 | 0 | 0 | 0 | 111.5 | W232 C274 R282 C283 | W232-H278 HydrophobicContact CD2-CB 4.14Å; W232-H278 HydrophobicContact CE3-CB 3.9Å; W232-H278 AromaticContact CE3-CD2 3.81Å; W232-H278 HydrophobicContact CH2-CB 4.44Å; W232-H278 HydrophobicContact CZ3-CB 4.08Å; C274-H278 VanDerWaalsContact O-CB 3.25Å; C274-H278 WeakPolarHBondContact O-CB 3.38Å; C274-H278 PolarHBondContact O-N 2.81Å; H278-R282 WeakPolarHBondContact O-CA 3.4Å; H278-R282 VanDerWaalsContact O-CB 3.24Å; H278-R282 WeakPolarHBondContact O-CB 3.43Å; H278-R282 PolarHBondContact O-N 2.92Å; H278-C283 PolarHBondContact O-N 2.74Å |
| 279 | A | 92.3 | Very high | 85.9 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 10% | 0.099 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I275 E276 H277 C283 Y304 T308 | I275-A279 WeakPolarHBondContact O-CB 3.35Å; I275-A279 PolarHBondContact O-N 3.35Å; E276-A279 PolarHBondContact O-N 3.18Å; H277-A279 VanDerWaalsContact C-N 3.33Å; H277-A279 PolarHBondContact O-N 2.98Å; A279-C283 WeakPolarHBondContact O-CB 3.35Å; A279-Y304 VanDerWaalsContact CB-CB 3.5Å; A279-Y304 HydrophobicContact CB-CD1 3.58Å; A279-Y304 HydrophobicContact CB-CG 3.69Å; A279-T308 WeakPolarHBondContact O-CG2 3.39Å |
| 280 | F | 94.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69 | -53.7 | -179.4 | -174.1 | -107.5 | 0 | 0 | 0 | 112.3 | D45 Y46 F85 E276 H277 R307 Q309 | D45-F280 HydrophobicContact CB-CE2 3.88Å; Y46-F280 AromaticContact CD1-CE1 3.67Å; Y46-F280 HydrophobicContact CD1-CE1 3.67Å; Y46-F280 AromaticContact CD1-CZ 3.58Å; Y46-F280 HydrophobicContact CD1-CZ 3.58Å; Y46-F280 AromaticContact CE1-CE1 3.61Å; Y46-F280 HydrophobicContact CE1-CE1 3.61Å; Y46-F280 AromaticContact CE1-CZ 3.59Å; Y46-F280 HydrophobicContact CE1-CZ 3.59Å; Y46-F280 HydrophobicContact CG-CZ 4.31Å; F85-F280 HydrophobicContact CB-CD1 3.64Å; F85-F280 HydrophobicContact CB-CE1 3.58Å; F85-F280 HydrophobicContact CB-CG 4.45Å; F85-F280 HydrophobicContact CB-CZ 4.36Å; F85-F280 HydrophobicContact CD1-CB 3.93Å; F85-F280 AromaticContact CD1-CD1 3.82Å; F85-F280 HydrophobicContact CD1-CD1 3.82Å; F85-F280 AromaticContact CD1-CG 3.99Å; F85-F280 HydrophobicContact CD1-CG 3.99Å; F85-F280 HydrophobicContact CD2-CD1 4.16Å; F85-F280 HydrophobicContact CD2-CD2 4.35Å; F85-F280 HydrophobicContact CD2-CE1 4.34Å; F85-F280 HydrophobicContact CD2-CG 4.15Å; F85-F280 HydrophobicContact CE1-CB 3.76Å; F85-F280 HydrophobicContact CE1-CD1 4.47Å; F85-F280 HydrophobicContact CE1-CG 4.19Å; F85-F280 HydrophobicContact CE2-CD2 4.41Å; F85-F280 HydrophobicContact CE2-CG 4.33Å; F85-F280 HydrophobicContact CG-CB 4.39Å; F85-F280 AromaticContact CG-CD1 3.62Å; F85-F280 HydrophobicContact CG-CD1 3.62Å; F85-F280 AromaticContact CG-CE1 3.96Å; F85-F280 HydrophobicContact CG-CE1 3.96Å; F85-F280 AromaticContact CG-CG 3.95Å; F85-F280 HydrophobicContact CG-CG 3.95Å; F85-F280 HydrophobicContact CZ-CB 4.07Å; F85-F280 HydrophobicContact CZ-CG 4.34Å; E276-F280 WeakPolarHBondContact O-CB 3.39Å; E276-F280 PolarHBondContact O-N 3Å; H277-F280 PolarHBondContact O-N 3.03Å; F280-R307 VanDerWaalsContact CD2-O 3.31Å; F280-R307 WeakPolarHBondContact CD2-O 3.2Å; F280-R307 WeakPolarHBondContact CE2-O 3.28Å; F280-Q309 HydrophobicContact CD1-CB 4.09Å; F280-Q309 HydrophobicContact CE1-CB 3.75Å; F280-Q309 HydrophobicContact CE1-CG 4.04Å; F280-Q309 HydrophobicContact CE2-CB 4.22Å; F280-Q309 HydrophobicContact CG-CB 4.48Å; F280-Q309 HydrophobicContact CZ-CB 3.83Å; F280-Q309 HydrophobicContact CZ-CG 4.1Å; F280-Q309 WeakPolarHBondContact O-CB 3.44Å; F280-Q309 PolarHBondContact O-N 3.17Å |
| 281 | F | 93.8 | Very high | 82.2 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -85.2 | -30.8 | -172.9 | -68.2 | -70.2 | 0 | 0 | 0 | 114.6 | F85 Y86 H215 H277 | F85-F281 HydrophobicContact CB-CE2 3.97Å; F85-F281 HydrophobicContact CB-CZ 3.79Å; F85-F281 AromaticContact CD1-CE2 3.99Å; F85-F281 HydrophobicContact CD1-CE2 3.99Å; F85-F281 HydrophobicContact CG-CE2 4.44Å; Y86-F281 WeakPolarHBondContact O-CZ 3.48Å; H215-F281 HydrophobicContact CB-CD1 3.78Å; H215-F281 HydrophobicContact CB-CD2 4.03Å; H215-F281 HydrophobicContact CB-CE1 3.71Å; H215-F281 HydrophobicContact CB-CE2 3.94Å; H215-F281 HydrophobicContact CB-CG 3.95Å; H215-F281 HydrophobicContact CB-CZ 3.78Å; H277-F281 HydrophobicContact CB-CD2 4.34Å; H277-F281 WeakPolarHBondContact O-CB 3.24Å; H277-F281 WeakPolarHBondContact O-CD2 3.29Å; H277-F281 PolarHBondContact O-N 3.26Å |
| 282 | R | 90 | Very high | 80 | Confident | 130 Ų | 130 | 75.4 Ų | 75.4 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -106.8 | -27.5 | -169.9 | -171.1 | 62.8 | -170.1 | 87.9 | -8.1 | 115 | W232 H278 | W232-R282 HydrophobicContact CB-CB 4.16Å; W232-R282 HydrophobicContact CB-CG 3.97Å; W232-R282 HydrophobicContact CG-CB 4.45Å; H278-R282 WeakPolarHBondContact O-CA 3.4Å; H278-R282 VanDerWaalsContact O-CB 3.24Å; H278-R282 WeakPolarHBondContact O-CB 3.43Å; H278-R282 PolarHBondContact O-N 2.92Å |
| 283 | C | 87.7 | Confident | 77.8 | Confident | 44 Ų | 44 | 80.2 Ų | 80.2 | 30% | 0.297 | 40% | 0.397 | S | S | . | . | trans | -83.9 | 141.9 | 179.5 | -67.3 | 0 | 0 | 0 | 0 | 112.3 | H278 A279 T308 | H278-C283 PolarHBondContact O-N 2.74Å; A279-C283 WeakPolarHBondContact O-CB 3.35Å; C283-T308 HydrophobicContact CB-CG2 4.13Å; C283-T308 VanDerWaalsContact O-CB 3.32Å; C283-T308 WeakPolarHBondContact O-CB 3.15Å; C283-T308 PolarHBondContact O-OG1 2.76Å; C283-T308 VanDerWaalsContact O-OG1 3.13Å | ||
| 284 | Q | 84.4 | Confident | 75.9 | Confident | 117 Ų | 117 | 89.9 Ų | 89.9 | 55% | 0.547 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -78.3 | -28.6 | 176.6 | -59.4 | -163.3 | 29.7 | 0 | 0 | 113.5 | T308 K310 | Q284-T308 PolarHBondContact O-OG1 3.36Å; Q284-K310 HydrophobicContact CB-CD 3.95Å; Q284-K310 HydrophobicContact CG-CD 4.06Å |
| 285 | A | 81.5 | Confident | 73.9 | Confident | 53 Ų | 53 | 96.8 Ų | 96.8 | 44% | 0.438 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -161.4 | 150.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | R287 Q311 | A285-R287 PolarHBondContact O-N 3.36Å; A285-Q311 HydrophobicContact CB-CG 4.38Å |
| 286 | V | 75.9 | Confident | 71.9 | Confident | 37 Ų | 37 | 99.8 Ų | 99.8 | 22% | 0.224 | 50% | 0.495 | C | S | . | . | trans | -81.5 | 111.8 | 172.5 | -169.9 | 0 | 0 | 0 | 0 | 109.9 | N288 Y304 T308 | V286-N288 PolarHBondContact O-N 2.89Å; V286-N288 VanDerWaalsContact O-N 3.08Å; V286-Y304 HydrophobicContact CG2-CD1 3.75Å; V286-Y304 HydrophobicContact CG2-CE1 4.12Å; V286-T308 HydrophobicContact CG2-CG2 3.76Å | ||
| 287 | R | 63.1 | Low | 69.8 | Low | 217 Ų | 217 | 103 Ų | 103 | 82% | 0.819 | 52% | 0.519 | S | S | * | . | trans | -68.2 | 106.9 | 176.6 | -70.9 | -173.1 | 179.5 | -171.6 | -0.1 | 111.1 | A285 V289 R303 | A285-R287 PolarHBondContact O-N 3.36Å; R287-V289 HydrophobicContact CB-CG2 4.39Å; R287-V289 PolarHBondContact O-N 2.97Å; R287-R303 PolarHBondContact O-NH1 3.13Å | ||
| 288 | N | 57.1 | Low | 67.9 | Low | 155 Ų | 155 | 112.6 Ų | 112.6 | 83% | 0.829 | 56% | 0.561 | S | S | * | * | trans | -68.9 | 77 | 170.1 | -83.9 | -16 | 0 | 0 | 0 | 111.6 | V286 G290 | V286-N288 PolarHBondContact O-N 2.89Å; V286-N288 VanDerWaalsContact O-N 3.08Å; N288-G290 PolarHBondContact O-N 2.7Å | ||
| 289 | V | 55.8 | Low | 66.3 | Low | 97 Ų | 97 | 112.1 Ų | 112.1 | 59% | 0.588 | 57% | 0.572 | S | S | * | * | trans | -72 | 108.8 | 167.9 | -175.1 | 0 | 0 | 0 | 0 | 107.5 | R287 | R287-V289 HydrophobicContact CB-CG2 4.39Å; R287-V289 PolarHBondContact O-N 2.97Å | ||
| 290 | G | 52.3 | Low | 65.2 | Low | 58 Ų | 58 | 114.2 Ų | 114.2 | 60% | 0.598 | 59% | 0.586 | S | S | * | * | trans | -52.2 | 147.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N288 K292 | N288-G290 PolarHBondContact O-N 2.7Å; G290-K292 VanDerWaalsContact C-N 3.34Å; G290-K292 PolarHBondContact O-N 2.74Å | ||
| 291 | R | 52.6 | Low | 64.1 | Low | 238 Ų | 238 | 119.2 Ų | 119.2 | 90% | 0.898 | 62% | 0.621 | S | S | * | * | trans | -65.6 | 86.6 | -175.3 | -68.4 | -173.9 | -178.1 | -174.9 | 3 | 111.3 | N293 | R291-N293 PolarHBondContact O-N 2.7Š| ||
| 292 | K | 47.8 | Very low | 63.4 | Low | 190 Ų | 190 | 119.8 Ų | 119.8 | 83% | 0.826 | 62% | 0.624 | S | S | * | * | trans | -64.7 | 118.1 | 162.5 | -70.3 | -162.9 | 174.9 | -167.3 | 0 | 108.1 | G290 R294 | G290-K292 VanDerWaalsContact C-N 3.34Å; G290-K292 PolarHBondContact O-N 2.74Å; K292-R294 VanDerWaalsContact C-N 3.35Å; K292-R294 PolarHBondContact O-N 3.31Å | ||
| 293 | N | 44.4 | Very low | 63 | Low | 154 Ų | 154 | 119.2 Ų | 119.2 | 82% | 0.824 | 62% | 0.621 | S | S | * | * | trans | -65.7 | 86.9 | -177.9 | -74.3 | -15.7 | 0 | 0 | 0 | 111.5 | R291 V295 | R291-N293 PolarHBondContact O-N 2.7Å; N293-V295 PolarHBondContact O-N 3.44Å | ||
| 294 | R | 51.6 | Low | 62.8 | Low | 223 Ų | 223 | 117.7 Ų | 117.7 | 84% | 0.842 | 61% | 0.609 | S | S | * | * | trans | -85.5 | 104.7 | 165.7 | -82.6 | -171.5 | 164.1 | -168.7 | -5.4 | 109 | K292 V296 | K292-R294 VanDerWaalsContact C-N 3.35Å; K292-R294 PolarHBondContact O-N 3.31Å; R294-V296 PolarHBondContact O-N 3Å; R294-V296 VanDerWaalsContact O-N 3.13Å | ||
| 295 | V | 52.9 | Low | 62.7 | Low | 145 Ų | 145 | 117.4 Ų | 117.4 | 88% | 0.879 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -59.9 | -23.2 | -175.5 | -176.8 | 0 | 0 | 0 | 0 | 113.1 | N293 | N293-V295 PolarHBondContact O-N 3.44Š|
| 296 | V | 51.1 | Low | 62.8 | Low | 105 Ų | 105 | 116.6 Ų | 116.6 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | trans | -129.3 | 109.7 | 175.1 | -166.6 | 0 | 0 | 0 | 0 | 111.9 | R294 K298 | R294-V296 PolarHBondContact O-N 3Å; R294-V296 VanDerWaalsContact O-N 3.13Å; V296-K298 HydrophobicContact CG1-CG 3.9Å | ||
| 297 | S | 48.9 | Very low | 63.5 | Low | 87 Ų | 87 | 116.6 Ų | 116.6 | 61% | 0.608 | 60% | 0.603 | S | S | * | * | trans | -95.4 | 86.6 | 168.8 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | G299 | S297-G299 PolarHBondContact O-N 3.1Å; S297-G299 PolarHBondContact OG-O 2.68Å | ||
| 298 | K | 54.6 | Low | 64.9 | Low | 208 Ų | 208 | 106.2 Ų | 106.2 | 90% | 0.904 | 56% | 0.564 | S | S | * | * | trans | -71.5 | 64.2 | 171.2 | -71.8 | -170.3 | 176.8 | 178.8 | 0 | 111.5 | V296 | V296-K298 HydrophobicContact CG1-CG 3.9Š| ||
| 299 | G | 61.3 | Low | 66.6 | Low | 50 Ų | 50 | 100.7 Ų | 100.7 | 52% | 0.515 | 53% | 0.533 | S | S | . | . | S | Bend | trans | 168 | 157.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S297 S301 | S297-G299 PolarHBondContact O-N 3.1Å; S297-G299 PolarHBondContact OG-O 2.68Å; G299-S301 PolarHBondContact O-N 3.21Å |
| 300 | S | 67.9 | Low | 68.1 | Low | 56 Ų | 56 | 98.6 Ų | 98.6 | 39% | 0.392 | 52% | 0.516 | S | S | . | . | trans | -73.9 | 111 | 170.8 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | W271 | W271-S300 VanDerWaalsContact CH2-O 3.24Å; W271-S300 WeakPolarHBondContact CH2-O 3.42Å | ||
| 301 | S | 71.9 | Confident | 69.9 | Low | 105 Ų | 105 | 99.1 Ų | 99.1 | 73% | 0.734 | 50% | 0.503 | S | S | * | . | trans | -98 | 136.1 | 173 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | G299 | G299-S301 PolarHBondContact O-N 3.21Š| ||
| 302 | F | 79.7 | Confident | 71.7 | Confident | 47 Ų | 47 | 87.8 Ų | 87.8 | 21% | 0.206 | 46% | 0.461 | C | S | . | . | trans | -145.9 | 150.4 | 171.2 | 177.7 | -101.6 | 0 | 0 | 0 | 108.9 | W271 K272 I275 E276 | W271-F302 HydrophobicContact CH2-CB 3.79Å; W271-F302 HydrophobicContact CZ3-CB 3.62Å; K272-F302 HydrophobicContact CB-CD1 4.28Å; K272-F302 HydrophobicContact CB-CE1 4.22Å; K272-F302 HydrophobicContact CB-CZ 4.47Å; K272-F302 HydrophobicContact CD-CD2 4.29Å; K272-F302 HydrophobicContact CD-CE2 4.23Å; K272-F302 HydrophobicContact CG-CD1 4.05Å; K272-F302 HydrophobicContact CG-CD2 4Å; K272-F302 HydrophobicContact CG-CE1 4.28Å; K272-F302 HydrophobicContact CG-CE2 4.22Å; K272-F302 HydrophobicContact CG-CG 3.91Å; K272-F302 HydrophobicContact CG-CZ 4.35Å; I275-F302 HydrophobicContact CB-CD1 4.13Å; I275-F302 HydrophobicContact CB-CE1 4.43Å; I275-F302 HydrophobicContact CD1-CD1 4.49Å; I275-F302 HydrophobicContact CG2-CD1 3.85Å; I275-F302 HydrophobicContact CG2-CE1 4.15Å; E276-F302 HydrophobicContact CG-CE1 3.53Å; E276-F302 HydrophobicContact CG-CZ 3.73Å | ||
| 303 | R | 79.8 | Confident | 73.5 | Confident | 117 Ų | 117 | 82 Ų | 82 | 44% | 0.442 | 44% | 0.441 | S | S | . | . | trans | -149.6 | 128.2 | -175.5 | 171.6 | -179.3 | -75.9 | -92.2 | 8.8 | 107.6 | R287 | R287-R303 PolarHBondContact O-NH1 3.13Š| ||
| 304 | Y | 84.8 | Confident | 75.4 | Confident | 12 Ų | 12 | 76.9 Ų | 76.9 | 5% | 0.047 | 41% | 0.414 | C | S | . | . | trans | -63.6 | 145.1 | 172.4 | 173 | -108.9 | 0 | 0 | 0 | 111.2 | F85 E276 A279 V286 R307 | F85-Y304 HydrophobicContact CE2-CE2 4.21Å; F85-Y304 HydrophobicContact CZ-CD2 4.44Å; F85-Y304 AromaticContact CZ-CE2 3.83Å; F85-Y304 HydrophobicContact CZ-CE2 3.83Å; E276-Y304 HydrophobicContact CB-CD2 4.17Å; E276-Y304 HydrophobicContact CG-CD2 4.19Å; A279-Y304 VanDerWaalsContact CB-CB 3.5Å; A279-Y304 HydrophobicContact CB-CD1 3.58Å; A279-Y304 HydrophobicContact CB-CG 3.69Å; V286-Y304 HydrophobicContact CG2-CD1 3.75Å; V286-Y304 HydrophobicContact CG2-CE1 4.12Å; Y304-R307 PolarHBondContact OH-O 3.43Å; Y304-R307 VanDerWaalsContact OH-O 3.04Å | ||
| 305 | I | 80.9 | Confident | 76.9 | Confident | 112 Ų | 112 | 69.6 Ų | 69.6 | 57% | 0.574 | 39% | 0.388 | S | S | * | . | trans | -131.6 | 130.2 | 179.2 | -57.2 | 173.9 | 0 | 0 | 0 | 105.8 | ||||
| 306 | G | 84.8 | Confident | 78.2 | Confident | 36 Ų | 36 | 63.4 Ų | 63.4 | 37% | 0.371 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 134.7 | 175.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 307 | R | 89.6 | Confident | 79.4 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | trans | -80.2 | 132.5 | 172.3 | -63.3 | 178.8 | -72.3 | -171.4 | 3 | 108.6 | V42 D45 F280 Y304 Q311 L312 | V42-R307 PolarHBondContact O-NH2 3.34Å; V42-R307 VanDerWaalsContact O-NH2 3.14Å; D45-R307 PolarHBondContact OD1-N 3.41Å; D45-R307 IonicContact OD1-NE 2.8Å; D45-R307 IonicContact OD2-CZ 2.79Å; D45-R307 IonicContact OD2-NE 3.16Å; D45-R307 PolarHBondContact OD2-NE 3.24Å; D45-R307 IonicContact OD2-NH2 3.72Å; D45-R307 PolarHBondContact OD2-NH2 3.16Å; F280-R307 VanDerWaalsContact CD2-O 3.31Å; F280-R307 WeakPolarHBondContact CD2-O 3.2Å; F280-R307 WeakPolarHBondContact CE2-O 3.28Å; Y304-R307 PolarHBondContact OH-O 3.43Å; Y304-R307 VanDerWaalsContact OH-O 3.04Å; R307-Q311 HydrophobicContact CB-CB 4.07Å; R307-L312 HydrophobicContact CB-CB 4.46Å; R307-L312 VanDerWaalsContact CZ-CD1 3.46Å; R307-L312 VanDerWaalsContact NH2-CD1 3.32Å | ||
| 308 | T | 93.2 | Very high | 80.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -63.8 | 158 | 166.9 | 71.3 | 0 | 0 | 0 | 0 | 109.9 | A279 C283 Q284 V286 K310 Q311 L312 | A279-T308 WeakPolarHBondContact O-CG2 3.39Å; C283-T308 HydrophobicContact CB-CG2 4.13Å; C283-T308 VanDerWaalsContact O-CB 3.32Å; C283-T308 WeakPolarHBondContact O-CB 3.15Å; C283-T308 PolarHBondContact O-OG1 2.76Å; C283-T308 VanDerWaalsContact O-OG1 3.13Å; Q284-T308 PolarHBondContact O-OG1 3.36Å; V286-T308 HydrophobicContact CG2-CG2 3.76Å; T308-K310 PolarHBondContact O-N 3.49Å; T308-K310 VanDerWaalsContact O-N 3.11Å; T308-Q311 CarbonylContact O-C 3.56Å; T308-Q311 WeakPolarHBondContact O-CA 3.1Å; T308-Q311 WeakPolarHBondContact O-CB 3.44Å; T308-Q311 PolarHBondContact O-N 2.94Å; T308-Q311 WeakPolarHBondContact OG1-CG 3.4Å; T308-Q311 PolarHBondContact OG1-N 2.85Å; T308-L312 PolarHBondContact O-N 3.36Å | ||
| 309 | Q | 92.1 | Very high | 81.1 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.8 | -38.9 | -179.8 | -166.6 | -174.4 | 23.7 | 0 | 0 | 111.3 | Y46 T87 F280 L312 T313 | Y46-Q309 HydrophobicContact CE1-CG 4.22Å; Y46-Q309 PolarHBondContact OH-NE2 3.08Å; T87-Q309 PolarHBondContact OG1-NE2 2.83Å; F280-Q309 HydrophobicContact CD1-CB 4.09Å; F280-Q309 HydrophobicContact CE1-CB 3.75Å; F280-Q309 HydrophobicContact CE1-CG 4.04Å; F280-Q309 HydrophobicContact CE2-CB 4.22Å; F280-Q309 HydrophobicContact CG-CB 4.48Å; F280-Q309 HydrophobicContact CZ-CB 3.83Å; F280-Q309 HydrophobicContact CZ-CG 4.1Å; F280-Q309 WeakPolarHBondContact O-CB 3.44Å; F280-Q309 PolarHBondContact O-N 3.17Å; Q309-L312 WeakPolarHBondContact O-CB 3.42Å; Q309-L312 PolarHBondContact O-N 2.99Å; Q309-T313 PolarHBondContact O-N 2.93Å; Q309-T313 PolarHBondContact O-OG1 2.91Å; Q309-T313 VanDerWaalsContact O-OG1 3.13Å |
| 310 | K | 88.8 | Confident | 80.8 | Confident | 53 Ų | 53 | 62.1 Ų | 62.1 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 173 | -177.2 | 175.8 | -177.7 | 169.2 | 0 | 112.4 | Q284 T308 L312 T313 D314 N1531 | Q284-K310 HydrophobicContact CB-CD 3.95Å; Q284-K310 HydrophobicContact CG-CD 4.06Å; T308-K310 PolarHBondContact O-N 3.49Å; T308-K310 VanDerWaalsContact O-N 3.11Å; K310-L312 PolarHBondContact O-N 2.86Å; K310-T313 PolarHBondContact O-N 2.93Å; K310-D314 WeakPolarHBondContact CG-OD2 3.3Å; K310-D314 VanDerWaalsContact O-CB 3.28Å; K310-D314 WeakPolarHBondContact O-CB 3.37Å; K310-D314 PolarHBondContact O-N 2.73Å; K310-N1531 VanDerWaalsContact CE-ND2 3.31Å; K310-N1531 WeakPolarHBondContact CE-ND2 3.25Å; K310-N1531 PolarHBondContact NZ-ND2 2.94Å; K310-N1531 PolarHBondContact NZ-OD1 3.17Å |
| 311 | Q | 90.2 | Very high | 80.2 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 33% | 0.327 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.7 | -29.7 | 177 | -66.8 | 178.9 | -87.8 | 0 | 0 | 112.4 | A285 R307 T308 F315 | A285-Q311 HydrophobicContact CB-CG 4.38Å; R307-Q311 HydrophobicContact CB-CB 4.07Å; T308-Q311 CarbonylContact O-C 3.56Å; T308-Q311 WeakPolarHBondContact O-CA 3.1Å; T308-Q311 WeakPolarHBondContact O-CB 3.44Å; T308-Q311 PolarHBondContact O-N 2.94Å; T308-Q311 WeakPolarHBondContact OG1-CG 3.4Å; T308-Q311 PolarHBondContact OG1-N 2.85Å; Q311-F315 WeakPolarHBondContact O-CB 3.3Å; Q311-F315 PolarHBondContact O-N 3.43Å |
| 312 | L | 88.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.2 | -51.9 | 174.9 | 179.4 | 60.7 | 0 | 0 | 0 | 111.2 | E43 D45 Y46 R307 T308 Q309 K310 D314 F315 I316 | E43-L312 HydrophobicContact CB-CD2 4.35Å; D45-L312 HydrophobicContact CB-CD2 4.35Å; Y46-L312 HydrophobicContact CD2-CD2 3.87Å; Y46-L312 HydrophobicContact CE2-CD2 3.51Å; R307-L312 HydrophobicContact CB-CB 4.46Å; R307-L312 VanDerWaalsContact CZ-CD1 3.46Å; R307-L312 VanDerWaalsContact NH2-CD1 3.32Å; T308-L312 PolarHBondContact O-N 3.36Å; Q309-L312 WeakPolarHBondContact O-CB 3.42Å; Q309-L312 PolarHBondContact O-N 2.99Å; K310-L312 PolarHBondContact O-N 2.86Å; L312-D314 PolarHBondContact O-N 3.03Å; L312-F315 WeakPolarHBondContact O-CB 3.29Å; L312-F315 PolarHBondContact O-N 3.05Å; L312-F315 VanDerWaalsContact O-N 3.15Å; L312-I316 HydrophobicContact CD1-CD1 3.96Å; L312-I316 HydrophobicContact CD1-CG1 4.27Å; L312-I316 HydrophobicContact CG-CD1 3.85Å; L312-I316 WeakPolarHBondContact O-CD1 3.5Å; L312-I316 VanDerWaalsContact O-CG1 3.3Å; L312-I316 WeakPolarHBondContact O-CG1 3.11Å; L312-I316 PolarHBondContact O-N 3.39Å |
| 313 | T | 85.7 | Confident | 78.2 | Confident | 69 Ų | 69 | 62.2 Ų | 62.2 | 42% | 0.423 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 176.3 | -54 | 0 | 0 | 0 | 0 | 112 | Q309 K310 F315 R317 | Q309-T313 PolarHBondContact O-N 2.93Å; Q309-T313 PolarHBondContact O-OG1 2.91Å; Q309-T313 VanDerWaalsContact O-OG1 3.13Å; K310-T313 PolarHBondContact O-N 2.93Å; T313-F315 VanDerWaalsContact C-N 3.33Å; T313-F315 PolarHBondContact O-N 3.15Å; T313-R317 WeakPolarHBondContact O-CB 3.45Å; T313-R317 PolarHBondContact O-N 3.49Å; T313-R317 VanDerWaalsContact O-N 3.08Å |
| 314 | D | 84.9 | Confident | 76.9 | Confident | 46 Ų | 46 | 59.1 Ų | 59.1 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 174.4 | -74.1 | -26.6 | 0 | 0 | 0 | 110.3 | K310 L312 E318 | K310-D314 WeakPolarHBondContact CG-OD2 3.3Å; K310-D314 VanDerWaalsContact O-CB 3.28Å; K310-D314 WeakPolarHBondContact O-CB 3.37Å; K310-D314 PolarHBondContact O-N 2.73Å; L312-D314 PolarHBondContact O-N 3.03Å; D314-E318 WeakPolarHBondContact O-CB 3.37Å; D314-E318 WeakPolarHBondContact O-CG 3.44Å; D314-E318 PolarHBondContact O-N 2.6Å |
| 315 | F | 83.5 | Confident | 75.6 | Confident | 70 Ų | 70 | 64.1 Ų | 64.1 | 31% | 0.307 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 175.9 | 172.2 | -87 | 0 | 0 | 0 | 113.2 | V42 Q311 L312 T313 R317 E318 N319 | V42-F315 HydrophobicContact CG1-CE1 4.29Å; Q311-F315 WeakPolarHBondContact O-CB 3.3Å; Q311-F315 PolarHBondContact O-N 3.43Å; L312-F315 WeakPolarHBondContact O-CB 3.29Å; L312-F315 PolarHBondContact O-N 3.05Å; L312-F315 VanDerWaalsContact O-N 3.15Å; T313-F315 VanDerWaalsContact C-N 3.33Å; T313-F315 PolarHBondContact O-N 3.15Å; F315-R317 VanDerWaalsContact C-N 3.26Å; F315-R317 PolarHBondContact O-N 3.14Å; F315-E318 PolarHBondContact O-N 2.85Å; F315-N319 WeakPolarHBondContact CD2-ND2 3.27Å; F315-N319 HydrophobicContact CE1-CB 4.39Å; F315-N319 HydrophobicContact CZ-CB 4.28Å; F315-N319 WeakPolarHBondContact O-CB 3.34Å; F315-N319 PolarHBondContact O-N 3.41Å; F315-N319 PolarHBondContact O-ND2 3.01Å |
| 316 | I | 80 | Confident | 75.2 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | -179.4 | -62.4 | 153.7 | 0 | 0 | 0 | 109.8 | E43 E94 L312 E318 N319 M323 | E43-I316 HydrophobicContact CB-CD1 4.49Å; E43-I316 VanDerWaalsContact CD-CD1 3.49Å; E43-I316 HydrophobicContact CG-CD1 3.6Å; E43-I316 HydrophobicContact CG-CG1 4.39Å; E43-I316 VanDerWaalsContact OE1-CD1 3.25Å; E43-I316 WeakPolarHBondContact OE1-CD1 3.49Å; E94-I316 HydrophobicContact CB-CG2 4.24Å; E94-I316 HydrophobicContact CG-CG2 4.36Å; L312-I316 HydrophobicContact CD1-CD1 3.96Å; L312-I316 HydrophobicContact CD1-CG1 4.27Å; L312-I316 HydrophobicContact CG-CD1 3.85Å; L312-I316 WeakPolarHBondContact O-CD1 3.5Å; L312-I316 VanDerWaalsContact O-CG1 3.3Å; L312-I316 WeakPolarHBondContact O-CG1 3.11Å; L312-I316 PolarHBondContact O-N 3.39Å; I316-E318 PolarHBondContact O-N 2.71Å; I316-N319 CarbonylContact O-C 3.56Å; I316-N319 VanDerWaalsContact O-C 3.27Å; I316-N319 PolarHBondContact O-N 2.8Å; I316-M323 HydrophobicContact CG2-CE 4.34Å |
| 317 | R | 77.1 | Confident | 74.3 | Confident | 68 Ų | 68 | 67.5 Ų | 67.5 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.4 | -29.6 | 179.2 | -175.3 | -172.9 | 139 | -178.4 | -5.5 | 113.5 | T313 F315 N1590 H1591 Y1593 | T313-R317 WeakPolarHBondContact O-CB 3.45Å; T313-R317 PolarHBondContact O-N 3.49Å; T313-R317 VanDerWaalsContact O-N 3.08Å; F315-R317 VanDerWaalsContact C-N 3.26Å; F315-R317 PolarHBondContact O-N 3.14Å; R317-N1590 PolarHBondContact NH1-O 3.29Å; R317-H1591 VanDerWaalsContact CD-CE1 3.5Å; R317-H1591 WeakPolarHBondContact CD-CE1 3.44Å; R317-H1591 PolarHBondContact NE-CE1 3.37Å; R317-H1591 PolarHBondContact NE-ND1 3.49Å; R317-H1591 VanDerWaalsContact NE-ND1 3.2Å; R317-Y1593 PolarHBondContact NH2-OH 3.08Å; R317-Y1593 VanDerWaalsContact NH2-OH 3.13Å |
| 318 | E | 72.4 | Confident | 73.7 | Confident | 103 Ų | 103 | 68.2 Ų | 68.2 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -83.3 | -30.4 | 173.6 | -75.9 | -179.1 | -171.3 | 0 | 0 | 112.8 | D314 F315 I316 F1529 | D314-E318 WeakPolarHBondContact O-CB 3.37Å; D314-E318 WeakPolarHBondContact O-CG 3.44Å; D314-E318 PolarHBondContact O-N 2.6Å; F315-E318 PolarHBondContact O-N 2.85Å; I316-E318 PolarHBondContact O-N 2.71Å; E318-F1529 HydrophobicContact CG-CE1 4.1Å; E318-F1529 HydrophobicContact CG-CZ 4.23Å; E318-F1529 VanDerWaalsContact OE1-CE1 3.3Å; E318-F1529 WeakPolarHBondContact OE1-CE1 3.31Å; E318-F1529 WeakPolarHBondContact OE1-CZ 3.5Å |
| 319 | N | 65.8 | Low | 72.3 | Confident | 67 Ų | 67 | 70.4 Ų | 70.4 | 36% | 0.358 | 34% | 0.338 | S | S | . | . | trans | -113.2 | 74.3 | -177.2 | -58.8 | -94.3 | 0 | 0 | 0 | 109.2 | F315 I316 I321 | F315-N319 WeakPolarHBondContact CD2-ND2 3.27Å; F315-N319 HydrophobicContact CE1-CB 4.39Å; F315-N319 HydrophobicContact CZ-CB 4.28Å; F315-N319 WeakPolarHBondContact O-CB 3.34Å; F315-N319 PolarHBondContact O-N 3.41Å; F315-N319 PolarHBondContact O-ND2 3.01Å; I316-N319 CarbonylContact O-C 3.56Å; I316-N319 VanDerWaalsContact O-C 3.27Å; I316-N319 PolarHBondContact O-N 2.8Å; N319-I321 HydrophobicContact CB-CD1 4.21Å; N319-I321 HydrophobicContact CB-CG1 4.34Å; N319-I321 PolarHBondContact O-N 3.15Å | ||
| 320 | Y | 55 | Low | 70.1 | Confident | 184 Ų | 184 | 71.6 Ų | 71.6 | 72% | 0.722 | 35% | 0.35 | S | S | * | . | trans | -69.7 | 73.8 | 174.9 | -164.4 | -90 | 0 | 0 | 0 | 110.3 | ||||
| 321 | I | 54.4 | Low | 67.6 | Low | 86 Ų | 86 | 73.4 Ų | 73.4 | 44% | 0.441 | 37% | 0.37 | S | S | . | . | trans | -77.5 | 137.6 | 176 | -65.6 | 163.7 | 0 | 0 | 0 | 107.6 | N319 M323 | N319-I321 HydrophobicContact CB-CD1 4.21Å; N319-I321 HydrophobicContact CB-CG1 4.34Å; N319-I321 PolarHBondContact O-N 3.15Å; I321-M323 PolarHBondContact O-N 3.08Å | ||
| 322 | K | 50.4 | Low | 64.9 | Low | 76 Ų | 76 | 72.7 Ų | 72.7 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | trans | -62.4 | 105.2 | 165.5 | -179.7 | 177.9 | -176.2 | 174 | 0 | 107.6 | M1490 Q1492 | K322-M1490 PolarHBondContact NZ-O 2.91Å; K322-Q1492 HydrophobicContact CD-CB 3.99Å; K322-Q1492 HydrophobicContact CD-CG 3.76Å; K322-Q1492 HydrophobicContact CG-CG 4.22Å | ||
| 323 | M | 59.4 | Low | 62.1 | Low | 49 Ų | 49 | 75.9 Ų | 75.9 | 24% | 0.241 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 131.8 | 173.4 | -55 | -52.5 | 176.9 | 0 | 0 | 108.3 | V42 D95 I316 I321 | V42-M323 HydrophobicContact CB-CE 4.36Å; V42-M323 HydrophobicContact CB-SD 4.09Å; V42-M323 HydrophobicContact CG1-CE 4.22Å; V42-M323 HydrophobicContact CG1-SD 4.46Å; V42-M323 HydrophobicContact CG2-CE 4.49Å; V42-M323 HydrophobicContact CG2-SD 3.68Å; D95-M323 HydrophobicContact CB-CE 4.44Å; I316-M323 HydrophobicContact CG2-CE 4.34Å; I321-M323 PolarHBondContact O-N 3.08Å |
| 324 | P | 54.2 | Low | 59.5 | Low | 51 Ų | 51 | 83.9 Ų | 83.9 | 33% | 0.331 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 142.1 | 177.4 | 26.5 | -32.7 | 0 | 0 | 0 | 109.7 | Q40 F326 | Q40-P324 HydrophobicContact CB-CG 3.99Å; Q40-P324 VanDerWaalsContact OE1-CG 3.26Å; P324-F326 PolarHBondContact O-N 2.97Å; P324-F326 VanDerWaalsContact O-N 3.16Å |
| 325 | N | 56 | Low | 57 | Low | 118 Ų | 118 | 87.1 Ų | 87.1 | 63% | 0.631 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 116.7 | 170.1 | -64.6 | -3.1 | 0 | 0 | 0 | 107.5 | ||
| 326 | F | 72.7 | Confident | 54.4 | Low | 52 Ų | 52 | 90.2 Ų | 90.2 | 23% | 0.228 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -94.2 | 144.5 | 177.5 | 72 | -80.9 | 0 | 0 | 0 | 110.8 | E96 L97 Y100 P324 R328 | E96-F326 HydrophobicContact CB-CE1 3.94Å; E96-F326 HydrophobicContact CG-CE1 3.91Å; E96-F326 HydrophobicContact CG-CZ 4.12Å; L97-F326 HydrophobicContact CB-CD1 3.69Å; L97-F326 HydrophobicContact CB-CE1 3.97Å; L97-F326 HydrophobicContact CB-CG 4.01Å; L97-F326 HydrophobicContact CB-CZ 4.49Å; L97-F326 HydrophobicContact CD1-CB 4.21Å; L97-F326 HydrophobicContact CD1-CD1 4.37Å; L97-F326 HydrophobicContact CD1-CD2 3.72Å; L97-F326 HydrophobicContact CD1-CE2 4.16Å; L97-F326 HydrophobicContact CD1-CG 3.83Å; L97-F326 HydrophobicContact CG-CG 4.43Å; Y100-F326 HydrophobicContact CD1-CD2 4.17Å; Y100-F326 AromaticContact CD1-CE2 3.44Å; Y100-F326 HydrophobicContact CD1-CE2 3.44Å; Y100-F326 VanDerWaalsContact CD1-CE2 3.44Å; Y100-F326 HydrophobicContact CD1-CZ 4.22Å; Y100-F326 HydrophobicContact CE1-CE2 4.06Å; Y100-F326 AromaticContact CG-CE2 3.74Å; Y100-F326 HydrophobicContact CG-CE2 3.74Å; Y100-F326 HydrophobicContact CG-CZ 4.12Å; P324-F326 PolarHBondContact O-N 2.97Å; P324-F326 VanDerWaalsContact O-N 3.16Å; F326-R328 HydrophobicContact CD2-CG 4.35Å; F326-R328 HydrophobicContact CE2-CG 3.67Å; F326-R328 HydrophobicContact CZ-CG 4.36Å |
| 327 | E | 66.9 | Low | 51.7 | Low | 167 Ų | 167 | 96.2 Ų | 96.2 | 78% | 0.78 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 132.3 | 171.5 | -162.8 | -175 | 159.9 | 0 | 0 | 109.6 | ||
| 328 | R | 77.1 | Confident | 49.4 | Very low | 51 Ų | 51 | 96.9 Ų | 96.9 | 19% | 0.192 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 137 | 174.3 | -70.4 | 168.6 | 176 | -101.2 | -7.7 | 109 | E96 Y100 D181 F326 S330 | E96-R328 IonicContact OE1-CZ 3.98Å; E96-R328 IonicContact OE1-NE 2.77Å; E96-R328 IonicContact OE1-NH2 2.7Å; E96-R328 PolarHBondContact OE1-NH2 3.19Å; Y100-R328 HydrophobicContact CD2-CG 4.43Å; Y100-R328 HydrophobicContact CE1-CG 4.49Å; Y100-R328 HydrophobicContact CE2-CB 4.49Å; Y100-R328 HydrophobicContact CE2-CG 4.15Å; D181-R328 IonicContact OD1-NH1 2.71Å; D181-R328 IonicContact OD2-CZ 2.78Å; D181-R328 IonicContact OD2-NH1 3.18Å; D181-R328 PolarHBondContact OD2-NH1 2.91Å; D181-R328 IonicContact OD2-NH2 2.74Å; D181-R328 PolarHBondContact OD2-NH2 3.1Å; F326-R328 HydrophobicContact CD2-CG 4.35Å; F326-R328 HydrophobicContact CE2-CG 3.67Å; F326-R328 HydrophobicContact CZ-CG 4.36Å; R328-S330 VanDerWaalsContact C-N 3.27Å; R328-S330 PolarHBondContact O-N 3.1Å |
| 329 | S | 62.5 | Low | 47.2 | Very low | 46 Ų | 46 | 101.7 Ų | 101.7 | 32% | 0.322 | 52% | 0.522 | S | S | . | . | trans | -66.7 | 77.8 | -174.6 | -55.8 | 0 | 0 | 0 | 0 | 113.3 | D14 Y100 S331 | D14-S329 VanDerWaalsContact OD2-CB 3.29Å; D14-S329 WeakPolarHBondContact OD2-CB 3.23Å; D14-S329 PolarHBondContact OD2-OG 3.17Å; Y100-S329 PolarHBondContact OH-N 3.45Å; S329-S331 PolarHBondContact O-N 2.96Å; S329-S331 PolarHBondContact O-OG 3.41Å; S329-S331 VanDerWaalsContact O-OG 3.1Å | ||
| 330 | S | 46.5 | Very low | 45.3 | Very low | 62 Ų | 62 | 102 Ų | 102 | 43% | 0.434 | 53% | 0.526 | S | S | . | . | trans | -73.9 | 57.1 | -171.5 | 60.6 | 0 | 0 | 0 | 0 | 113 | R328 T332 S333 | R328-S330 VanDerWaalsContact C-N 3.27Å; R328-S330 PolarHBondContact O-N 3.1Å; S330-T332 PolarHBondContact O-N 3.23Å; S330-S333 PolarHBondContact O-N 2.99Å | ||
| 331 | S | 35.7 | Very low | 43.9 | Very low | 92 Ų | 92 | 97.6 Ų | 97.6 | 64% | 0.643 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 25.1 | -179.5 | 42.6 | 0 | 0 | 0 | 0 | 115.8 | K133 S329 | K133-S331 PolarHBondContact NZ-OG 3.37Å; S329-S331 PolarHBondContact O-N 2.96Å; S329-S331 PolarHBondContact O-OG 3.41Å; S329-S331 VanDerWaalsContact O-OG 3.1Å |
| 332 | T | 34 | Very low | 42.7 | Very low | 54 Ų | 54 | 97.4 Ų | 97.4 | 33% | 0.331 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.7 | -15.2 | 178.5 | -51.6 | 0 | 0 | 0 | 0 | 112.3 | K133 S330 R334 V335 | K133-T332 WeakPolarHBondContact CE-OG1 3.3Å; K133-T332 PolarHBondContact NZ-OG1 2.6Å; S330-T332 PolarHBondContact O-N 3.23Å; T332-R334 PolarHBondContact O-N 2.85Å; T332-R334 VanDerWaalsContact O-N 3.15Å; T332-V335 WeakPolarHBondContact O-CB 3.34Å; T332-V335 PolarHBondContact O-N 3.25Å; T332-V335 VanDerWaalsContact O-N 3.08Å |
| 333 | S | 29.8 | Very low | 41.7 | Very low | 67 Ų | 67 | 99.5 Ų | 99.5 | 47% | 0.469 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -64 | -22 | 179.6 | -165.8 | 0 | 0 | 0 | 0 | 113.6 | S330 V335 | S330-S333 PolarHBondContact O-N 2.99Å; S333-V335 PolarHBondContact O-N 3.45Å |
| 334 | R | 30.6 | Very low | 40.3 | Very low | 237 Ų | 237 | 103.8 Ų | 103.8 | 89% | 0.894 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -79 | 10.6 | 174.4 | -58.9 | -173.5 | -173.8 | 176 | 1.7 | 114.8 | T332 | T332-R334 PolarHBondContact O-N 2.85Å; T332-R334 VanDerWaalsContact O-N 3.15Å |
| 335 | V | 33.5 | Very low | 39 | Very low | 114 Ų | 114 | 108.5 Ų | 108.5 | 69% | 0.691 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -115.4 | -8.8 | 179.4 | -173.3 | 0 | 0 | 0 | 0 | 112 | T332 S333 | T332-V335 WeakPolarHBondContact O-CB 3.34Å; T332-V335 PolarHBondContact O-N 3.25Å; T332-V335 VanDerWaalsContact O-N 3.08Å; S333-V335 PolarHBondContact O-N 3.45Å |
| 336 | L | 27.7 | Very low | 37.7 | Very low | 135 Ų | 135 | 107.3 Ų | 107.3 | 71% | 0.707 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | -9.4 | -177.5 | -69 | 172 | 0 | 0 | 0 | 114.8 | ||
| 337 | N | 24.2 | Very low | 35.5 | Very low | 141 Ų | 141 | 109.1 Ų | 109.1 | 75% | 0.754 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -102.3 | 64.2 | 174.2 | -76 | 20.6 | 0 | 0 | 0 | 111.8 | ||
| 338 | T | 27.7 | Very low | 33.5 | Very low | 83 Ų | 83 | 108.5 Ų | 108.5 | 51% | 0.509 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -151.1 | 141.5 | 168.7 | -34.3 | 0 | 0 | 0 | 0 | 109.8 | T340 | T338-T340 HydrophobicContact CG2-CG2 4.1Å; T338-T340 PolarHBondContact O-N 2.91Å |
| 339 | E | 26.3 | Very low | 31.1 | Very low | 204 Ų | 204 | 115.7 Ų | 115.7 | 95% | 0.953 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 40 | -179.2 | -60.5 | 179.9 | 123 | 0 | 0 | 113.6 | ||
| 340 | T | 27.3 | Very low | 29.4 | Very low | 72 Ų | 72 | 120.9 Ų | 120.9 | 44% | 0.442 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116 | 7.2 | -173.8 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | T338 A342 I343 | T338-T340 HydrophobicContact CG2-CG2 4.1Å; T338-T340 PolarHBondContact O-N 2.91Å; T340-A342 PolarHBondContact O-N 2.98Å; T340-I343 PolarHBondContact O-N 3.28Å |
| 341 | S | 26.1 | Very low | 28.6 | Very low | 92 Ų | 92 | 126.2 Ų | 126.2 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -3.4 | 175.4 | -51.9 | 0 | 0 | 0 | 0 | 115 | ||
| 342 | A | 28.2 | Very low | 28.1 | Very low | 83 Ų | 83 | 129.4 Ų | 129.4 | 69% | 0.686 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -9.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | T340 | T340-A342 PolarHBondContact O-N 2.98Š|
| 343 | I | 30.3 | Very low | 27.9 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | -20.5 | -169.7 | -63.2 | 178.1 | 0 | 0 | 0 | 113.4 | T340 S346 | T340-I343 PolarHBondContact O-N 3.28Å; I343-S346 PolarHBondContact O-OG 2.84Å; I343-S346 VanDerWaalsContact O-OG 3.09Å |
| 344 | L | 28.4 | Very low | 28 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -92 | -12.3 | 178.2 | -71.2 | 173.3 | 0 | 0 | 0 | 114.5 | ||
| 345 | L | 28.1 | Very low | 27.8 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -88.1 | -10.5 | 176.6 | -78.1 | 166.5 | 0 | 0 | 0 | 113.8 | ||
| 346 | S | 27.3 | Very low | 27.6 | Very low | 93 Ų | 93 | 130.6 Ų | 130.6 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -90.4 | -9.8 | -179.3 | 40.7 | 0 | 0 | 0 | 0 | 114.6 | I343 | I343-S346 PolarHBondContact O-OG 2.84Å; I343-S346 VanDerWaalsContact O-OG 3.09Å |
| 347 | S | 28 | Very low | 27.8 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -107.4 | 5.3 | -173.1 | -57 | 0 | 0 | 0 | 0 | 115.1 | ||
| 348 | L | 25.3 | Very low | 27.9 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -136 | 43.8 | -176.3 | -71.9 | 175.1 | 0 | 0 | 0 | 113.1 | ||
| 349 | K | 25.1 | Very low | 28.1 | Very low | 201 Ų | 201 | 133.8 Ų | 133.8 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -150.5 | 32 | 170.6 | -119.5 | 162.4 | -171.9 | 173.2 | 0 | 115.9 | ||
| 350 | L | 28 | Very low | 28.3 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | -143.6 | 139.1 | 163.1 | -86.6 | 162.3 | 0 | 0 | 0 | 105.3 | ||||
| 351 | Q | 28.5 | Very low | 28.5 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | cis | -156.3 | 133.3 | 3 | 178.3 | 174.7 | -9.7 | 0 | 0 | 108 | ||||
| 352 | N | 25.9 | Very low | 28.9 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -124.2 | 106.6 | -177.9 | -132.2 | 13.2 | 0 | 0 | 0 | 109.3 | ||||
| 353 | N | 29.4 | Very low | 29 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | 164.2 | 105.8 | 156.6 | -90.3 | -15.6 | 0 | 0 | 0 | 111.9 | ||||
| 354 | A | 31.2 | Very low | 29.1 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | -169.5 | 155.8 | 150 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 355 | V | 26.4 | Very low | 29.7 | Very low | 156 Ų | 156 | 137 Ų | 137 | 95% | 0.945 | 78% | 0.781 | S | S | * | * | trans | -123.6 | 141 | -176.5 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 356 | G | 30.8 | Very low | 29.6 | Very low | 70 Ų | 70 | 135.9 Ų | 135.9 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 146.2 | 97.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 357 | N | 30.6 | Very low | 29.6 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | cis | 93.8 | 123.2 | 46.6 | -166 | 40.2 | 0 | 0 | 0 | 112.7 | ||||
| 358 | C | 26.5 | Very low | 29.8 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 69% | 0.689 | 80% | 0.795 | S | S | * | * | trans | 54.8 | 151.9 | 176.6 | 58.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 359 | H | 33.4 | Very low | 29.9 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | cis | -146.2 | 158.8 | 21.2 | -129.9 | -67.2 | 0 | 0 | 0 | 114.3 | ||||
| 360 | D | 29.9 | Very low | 30.1 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | -90.5 | 174.2 | -177.9 | -77.8 | -72.1 | 0 | 0 | 0 | 117.4 | ||||
| 361 | N | 31.6 | Very low | 30.2 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | 90.8 | 141.2 | 165 | -54.1 | -69.9 | 0 | 0 | 0 | 117.1 | ||||
| 362 | Q | 35.1 | Very low | 30 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | cis | -164.5 | 167.9 | -11.4 | -112.8 | 177 | 60.2 | 0 | 0 | 108.3 | ||||
| 363 | G | 30 | Very low | 30.6 | Very low | 62 Ų | 62 | 129.9 Ų | 129.9 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | cis | 163.2 | 125.3 | -8.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 364 | N | 30.5 | Very low | 30.4 | Very low | 166 Ų | 166 | 127.2 Ų | 127.2 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | 70 | 165.5 | 159.9 | -101 | -1 | 0 | 0 | 0 | 120.1 | ||||
| 365 | P | 41.5 | Very low | 30.3 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | trans | -140.6 | -162.2 | -132.1 | 37.9 | -13.3 | 0 | 0 | 0 | 116.8 | ||||
| 366 | T | 27.5 | Very low | 30.3 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | 112.3 | 126.8 | 154.6 | 67 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 367 | V | 27.3 | Very low | 30 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | 56.3 | 115 | 142.7 | 179.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 368 | H | 30.5 | Very low | 29.9 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 83% | 0.833 | 74% | 0.739 | S | S | * | * | -158.2 | 166.2 | 115.4 | -122.4 | -87.3 | 0 | 0 | 0 | 112.2 | |||||
| 369 | S | 28.8 | Very low | 29.9 | Very low | 85 Ų | 85 | 136.3 Ų | 136.3 | 59% | 0.594 | 74% | 0.743 | S | S | * | * | trans | -119.3 | 163.4 | -179.1 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 370 | D | 29 | Very low | 29.6 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | 164.4 | 155.5 | 120.1 | -84.8 | -2.7 | 0 | 0 | 0 | 116.8 | |||||
| 371 | F | 30.5 | Very low | 29.3 | Very low | 200 Ų | 200 | 134.4 Ų | 134.4 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | trans | 54.9 | 153 | 161.1 | -58.9 | -60.3 | 0 | 0 | 0 | 124.1 | ||||
| 372 | G | 23.4 | Very low | 29.2 | Very low | 69 Ų | 69 | 134.8 Ų | 134.8 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | -125.5 | -139.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 373 | P | 38.8 | Very low | 28.6 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | cis | -149.5 | 166.7 | -4.8 | 45.3 | -26.5 | 0 | 0 | 0 | 118.3 | ||||
| 374 | S | 26.2 | Very low | 28.5 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | 71.1 | 152.1 | 138.4 | -147.6 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 375 | I | 28.9 | Very low | 28.2 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 67% | 0.672 | 73% | 0.727 | S | S | * | * | trans | 93.5 | 105.5 | 153.6 | -53.3 | -163.4 | 0 | 0 | 0 | 122.3 | ||||
| 376 | R | 24.9 | Very low | 27.5 | Very low | 228 Ų | 228 | 137.2 Ų | 137.2 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | trans | 59.6 | 157.5 | 141.9 | -68.2 | 176.6 | -168.8 | 168.6 | 2.9 | 121.5 | ||||
| 377 | S | 25.6 | Very low | 27.3 | Very low | 87 Ų | 87 | 141.7 Ų | 141.7 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | cis | -164.4 | 177.2 | -18.4 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 378 | D | 28.9 | Very low | 27.7 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | trans | 75.8 | 123.3 | 164.4 | -57.1 | -63.3 | 0 | 0 | 0 | 116.3 | ||||
| 379 | R | 26 | Very low | 27.5 | Very low | 201 Ų | 201 | 139.9 Ų | 139.9 | 76% | 0.758 | 73% | 0.732 | S | S | * | * | 73.7 | 140.7 | 83 | -70.5 | 175.7 | 139.9 | -156.3 | -23.9 | 113.7 | |||||
| 380 | E | 26.2 | Very low | 27.5 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | cis | -153.2 | -179 | 5 | -130.9 | 153.1 | -152.3 | 0 | 0 | 112.5 | ||||
| 381 | D | 23.5 | Very low | 27.4 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | trans | -75.7 | 158.4 | -165.6 | -53.1 | -98.1 | 0 | 0 | 0 | 119.2 | V383 | D381-V383 HydrophobicContact CB-CG2 4.23Š| ||
| 382 | V | 29.2 | Very low | 27.2 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | trans | -160.7 | 114.4 | 142.4 | 169.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 383 | V | 24.1 | Very low | 27.3 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | cis | 76.5 | 111.4 | 43.6 | -168.4 | 0 | 0 | 0 | 0 | 112.3 | D381 | D381-V383 HydrophobicContact CB-CG2 4.23Š| ||
| 384 | L | 27.2 | Very low | 26.7 | Very low | 146 Ų | 146 | 143 Ų | 143 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | -159.3 | 136.1 | 87.4 | -107.3 | 94.6 | 0 | 0 | 0 | 110.2 | |||||
| 385 | H | 24.8 | Very low | 26.6 | Very low | 158 Ų | 158 | 149 Ų | 149 | 73% | 0.731 | 75% | 0.746 | S | S | * | * | 61.1 | 127.9 | 103.2 | -74.9 | 7.9 | 0 | 0 | 0 | 116.2 | |||||
| 386 | N | 27.4 | Very low | 26.4 | Very low | 156 Ų | 156 | 149.7 Ų | 149.7 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | -147.8 | 158.1 | 60.8 | -108.6 | -26.8 | 0 | 0 | 0 | 117.1 | |||||
| 387 | R | 22.5 | Very low | 26.5 | Very low | 221 Ų | 221 | 148.1 Ų | 148.1 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | -100.4 | -167 | 159.8 | -122.3 | -170.5 | 164.6 | -177.7 | -6.4 | 107.7 | ||||
| 388 | P | 34.6 | Very low | 26.4 | Very low | 105 Ų | 105 | 151.9 Ų | 151.9 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | cis | -118.5 | -159.2 | 1.4 | 44.4 | -27.5 | 0 | 0 | 0 | 111.4 | ||||
| 389 | Q | 27.8 | Very low | 26.3 | Very low | 161 Ų | 161 | 152.2 Ų | 152.2 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | cis | -152 | 128.7 | 21.5 | -123 | 172.3 | -15.3 | 0 | 0 | 108.2 | ||||
| 390 | T | 28.3 | Very low | 26.2 | Very low | 106 Ų | 106 | 147 Ų | 147 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | 67.8 | 141.9 | 104.9 | 64.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 391 | D | 26.5 | Very low | 26.2 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | cis | -145.5 | -156.6 | 15.6 | -141.7 | 19.4 | 0 | 0 | 0 | 113.9 | ||||
| 392 | P | 26.2 | Very low | 26.5 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 63% | 0.63 | 77% | 0.773 | S | S | * | * | trans | -130.4 | 174.2 | -130.6 | 40.4 | -19.2 | 0 | 0 | 0 | 116.8 | ||||
| 393 | S | 26.9 | Very low | 26.3 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | 166.3 | 84.5 | 132.8 | -77.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 394 | Q | 24.5 | Very low | 26.3 | Very low | 199 Ų | 199 | 148.9 Ų | 148.9 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -142.1 | 91.7 | 158.4 | -79.2 | -160.2 | 1.3 | 0 | 0 | 111.7 | ||||
| 395 | R | 25.2 | Very low | 26.3 | Very low | 237 Ų | 237 | 146.5 Ų | 146.5 | 89% | 0.894 | 77% | 0.774 | S | S | * | * | trans | -172.9 | 133.5 | 169.3 | -106.3 | -177 | -171.8 | -166.5 | 2.4 | 105.9 | ||||
| 396 | L | 25 | Very low | 26.4 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | cis | -142.4 | 155.1 | 7.9 | -69.9 | 154.9 | 0 | 0 | 0 | 109.3 | ||||
| 397 | H | 25.9 | Very low | 26.4 | Very low | 195 Ų | 195 | 146.6 Ų | 146.6 | 90% | 0.903 | 78% | 0.779 | S | S | * | * | trans | -157.2 | 87.9 | 154.1 | -106.4 | -60.6 | 0 | 0 | 0 | 113.5 | ||||
| 398 | L | 24.5 | Very low | 26.5 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -157.1 | 137.3 | 163.3 | -75.3 | -174.9 | 0 | 0 | 0 | 105.5 | ||||
| 399 | T | 26.6 | Very low | 26.3 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | cis | -135.4 | -169.2 | 1.4 | 53.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 400 | S | 24 | Very low | 26.2 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | trans | -101.6 | 160.4 | -174.4 | 56.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 401 | N | 26 | Very low | 26.1 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | 85.2 | 127.4 | 145.6 | -70.3 | -17.2 | 0 | 0 | 0 | 122.8 | ||||
| 402 | L | 28.9 | Very low | 26.1 | Very low | 145 Ų | 145 | 139 Ų | 139 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | 78.1 | 91.3 | 140.3 | -65.2 | 167.2 | 0 | 0 | 0 | 121.5 | ||||
| 403 | L | 24.7 | Very low | 26.2 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | 58.3 | 139.6 | 123.5 | -75.1 | 168.8 | 0 | 0 | 0 | 122.9 | |||||
| 404 | S | 24.8 | Very low | 26.6 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | 80.8 | 96.4 | 156.3 | -68.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 405 | S | 26.6 | Very low | 26.7 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | 41.8 | 118 | 127.1 | 59.4 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 406 | D | 28.2 | Very low | 26.9 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | -157.4 | 171.1 | 98.2 | -95.1 | -23.8 | 0 | 0 | 0 | 111.5 | |||||
| 407 | L | 26.4 | Very low | 27.1 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -98.6 | 158.3 | -168.7 | -82.2 | 76.7 | 0 | 0 | 0 | 114.5 | ||||
| 408 | S | 25.9 | Very low | 27.3 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | 120.4 | 141.7 | 130.8 | 75.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 409 | N | 29.5 | Very low | 27.5 | Very low | 148 Ų | 148 | 124.9 Ų | 124.9 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | 52.9 | 108.3 | 159.6 | -52.3 | -14.5 | 0 | 0 | 0 | 117 | ||||
| 410 | A | 25.2 | Very low | 27.7 | Very low | 95 Ų | 95 | 126 Ų | 126 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | cis | 63.5 | 105.6 | 44.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 411 | V | 26.8 | Very low | 28.1 | Very low | 138 Ų | 138 | 126.4 Ų | 126.4 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -175 | 142.3 | 136.8 | 142.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 412 | A | 26.9 | Very low | 28.4 | Very low | 99 Ų | 99 | 127.1 Ų | 127.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -143.8 | 130.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 413 | T | 27.5 | Very low | 28.4 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -152.6 | 152.8 | -176.5 | 22.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 414 | P | 36.6 | Very low | 28.7 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | -146.9 | -154.8 | -125.5 | 35.9 | -10.6 | 0 | 0 | 0 | 115.9 | |||||
| 415 | I | 26.6 | Very low | 28.8 | Very low | 150 Ų | 150 | 123.8 Ų | 123.8 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 95.7 | 144.5 | 149.8 | -75.7 | 161.9 | 0 | 0 | 0 | 120 | ||||
| 416 | S | 27.7 | Very low | 28.9 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 79.3 | 140.6 | 166.5 | 71.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 417 | G | 29.7 | Very low | 28.9 | Very low | 78 Ų | 78 | 119.7 Ų | 119.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | cis | -166.4 | -179.3 | 1.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 418 | Q | 31.3 | Very low | 29 | Very low | 191 Ų | 191 | 122.4 Ų | 122.4 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -47.1 | 173.4 | 171.4 | -71.3 | 162.8 | -7.7 | 0 | 0 | 116.2 | ||||
| 419 | S | 26.8 | Very low | 29 | Very low | 90 Ų | 90 | 125 Ų | 125 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | cis | 172.7 | 149 | -28.3 | 62.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 420 | N | 31.2 | Very low | 29.2 | Very low | 158 Ų | 158 | 126.1 Ų | 126.1 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 179.3 | 157.4 | 141.8 | -99.1 | -24.3 | 0 | 0 | 0 | 118.6 | ||||
| 421 | S | 32.3 | Very low | 29.2 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | 69 | 110.9 | 152.9 | 62.6 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 422 | V | 31.9 | Very low | 29.9 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 95% | 0.945 | 78% | 0.784 | S | S | * | * | 51.9 | 140.1 | 126.8 | -170.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 423 | G | 29.8 | Very low | 30.1 | Very low | 69 Ų | 69 | 130.1 Ų | 130.1 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | cis | 162.6 | 157.4 | -6.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 424 | S | 30.6 | Very low | 30.3 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 21.8 | 131.8 | 161.2 | -69.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 425 | V | 26.9 | Very low | 30.1 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 90% | 0.903 | 78% | 0.777 | S | S | * | * | 76.7 | 138.5 | 70.2 | 173.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 426 | G | 28.7 | Very low | 30.3 | Very low | 69 Ų | 69 | 131.9 Ų | 131.9 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | cis | -170.2 | -134.9 | 14.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 427 | S | 27.5 | Very low | 30.5 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -75.8 | 174.9 | -154 | -37.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 428 | Y | 28.7 | Very low | 30.5 | Very low | 213 Ų | 213 | 135.3 Ų | 135.3 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | -167.4 | -172.9 | 76.5 | -91.9 | -76.8 | 0 | 0 | 0 | 116.8 | |||||
| 429 | Q | 27.1 | Very low | 30.5 | Very low | 155 Ų | 155 | 134 Ų | 134 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | trans | -90.4 | 170.6 | -157.2 | -54 | 152.4 | -76.3 | 0 | 0 | 118.2 | ||||
| 430 | I | 32.8 | Very low | 30.9 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | -168.7 | 162.9 | 122 | -96.5 | 157.8 | 0 | 0 | 0 | 111.5 | |||||
| 431 | I | 26.6 | Very low | 30.9 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -148.8 | 143 | -159.1 | -93.2 | 168.9 | 0 | 0 | 0 | 108.4 | ||||
| 432 | P | 39.9 | Very low | 30.7 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | -144.2 | -148.8 | 64.4 | 44 | -21.8 | 0 | 0 | 0 | 113.5 | |||||
| 433 | E | 31.6 | Very low | 30.6 | Very low | 156 Ų | 156 | 142 Ų | 142 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | cis | -142.1 | -120 | 13.1 | -129.3 | -87.9 | 115.6 | 0 | 0 | 114.5 | ||||
| 434 | N | 31.8 | Very low | 30.6 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | trans | -160.4 | -164.4 | -138.8 | -163.8 | -2.3 | 0 | 0 | 0 | 116.3 | ||||
| 435 | I | 31.6 | Very low | 30.8 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | trans | 69.6 | 109.8 | -177.3 | -60 | -177.1 | 0 | 0 | 0 | 113.7 | ||||
| 436 | Q | 32.3 | Very low | 31 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -153.1 | 145.9 | 2.9 | -114.8 | 175 | 15.1 | 0 | 0 | 111.7 | ||||
| 437 | I | 31 | Very low | 31 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | trans | 56 | 128.2 | 143.8 | -59.7 | 163.1 | 0 | 0 | 0 | 119 | ||||
| 438 | L | 29.2 | Very low | 31 | Very low | 134 Ų | 134 | 140 Ų | 140 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | cis | -163.9 | 126.1 | -17.2 | -128.2 | 118.2 | 0 | 0 | 0 | 105.4 | ||||
| 439 | K | 32.4 | Very low | 31.1 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | 71.6 | 153.5 | 69 | -78.7 | 172.3 | 161.3 | -174.8 | 0 | 114.5 | |||||
| 440 | Q | 34 | Very low | 31.1 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 64% | 0.64 | 75% | 0.75 | S | S | * | * | cis | -161.7 | 170.8 | 13.5 | -129.9 | 153.4 | -146.8 | 0 | 0 | 107 | ||||
| 441 | R | 31.7 | Very low | 30.8 | Very low | 220 Ų | 220 | 136.1 Ų | 136.1 | 83% | 0.83 | 74% | 0.744 | S | S | * | * | cis | -178.9 | 173.5 | -20.6 | -110.4 | -168.1 | 173.9 | -179.8 | -2.6 | 104.3 | ||||
| 442 | R | 29.6 | Very low | 30.9 | Very low | 208 Ų | 208 | 136.2 Ų | 136.2 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | cis | -171.7 | 167.2 | -30.9 | -162 | -140.4 | 176.3 | -166.7 | -1.6 | 106.3 | ||||
| 443 | S | 28.4 | Very low | 30.3 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -124 | 155.5 | 158.7 | 56.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 444 | G | 30 | Very low | 30 | Very low | 67 Ų | 67 | 133.8 Ų | 133.8 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | trans | 149.3 | 145.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 445 | S | 35.5 | Very low | 29.8 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 88% | 0.881 | 75% | 0.749 | S | S | * | * | trans | -131 | 175.7 | -160.4 | -165.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 446 | A | 30.1 | Very low | 29.5 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -149.7 | 166.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 447 | A | 29.3 | Very low | 29.9 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | trans | -105.3 | 176.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 448 | G | 27.8 | Very low | 29.8 | Very low | 62 Ų | 62 | 135.2 Ų | 135.2 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | cis | 169.9 | -155.2 | -0.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 449 | Q | 30.1 | Very low | 29.7 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | 85.1 | 148.9 | 178.1 | -56.6 | -178.4 | -64.1 | 0 | 0 | 115.9 | ||||
| 450 | I | 27 | Very low | 29.4 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | cis | -157.6 | 146.6 | 13 | -137.2 | 160.3 | 0 | 0 | 0 | 113.3 | ||||
| 451 | I | 28 | Very low | 29.2 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | 55 | 149.6 | 151.5 | -68.5 | 163.8 | 0 | 0 | 0 | 121.3 | ||||
| 452 | I | 28.4 | Very low | 29.1 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | cis | -173.3 | 139.7 | -39.8 | -111.7 | 167 | 0 | 0 | 0 | 110.1 | ||||
| 453 | A | 27 | Very low | 28.9 | Very low | 87 Ų | 87 | 126.1 Ų | 126.1 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | trans | 52.7 | 169.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 454 | D | 25.7 | Very low | 29.1 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | cis | -158 | 164.1 | 7.1 | -147.7 | -0.3 | 0 | 0 | 0 | 115.7 | ||||
| 455 | M | 27.6 | Very low | 29.1 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | 59.7 | 157.3 | 156.3 | -71.5 | -64 | 102 | 0 | 0 | 125.5 | ||||
| 456 | D | 25.4 | Very low | 28.8 | Very low | 147 Ų | 147 | 127 Ų | 127 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | -134 | -173.8 | -173.3 | -127.1 | -32.2 | 0 | 0 | 0 | 108.2 | ||||
| 457 | P | 40.9 | Very low | 28.8 | Very low | 93 Ų | 93 | 129.4 Ų | 129.4 | 60% | 0.604 | 75% | 0.752 | S | S | * | * | cis | -140.6 | -176.1 | -20 | 40.6 | -21.3 | 0 | 0 | 0 | 116.9 | ||||
| 458 | H | 28 | Very low | 28.7 | Very low | 177 Ų | 177 | 127.9 Ų | 127.9 | 82% | 0.819 | 74% | 0.739 | S | S | * | * | trans | 79.1 | 129.4 | 148.2 | -80.2 | -58.5 | 0 | 0 | 0 | 126.4 | ||||
| 459 | A | 27.5 | Very low | 28.9 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | 72.4 | 147.8 | 140 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 460 | H | 26.5 | Very low | 28.6 | Very low | 174 Ų | 174 | 127.7 Ų | 127.7 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | cis | -166.1 | 172 | -13.1 | -113.8 | -45.5 | 0 | 0 | 0 | 112.3 | ||||
| 461 | L | 28.1 | Very low | 28.7 | Very low | 138 Ų | 138 | 124.6 Ų | 124.6 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | trans | 71.5 | 148.9 | 172 | -60.7 | 169 | 0 | 0 | 0 | 116.8 | ||||
| 462 | F | 29.6 | Very low | 28.6 | Very low | 176 Ų | 176 | 123.1 Ų | 123.1 | 77% | 0.772 | 75% | 0.746 | S | S | * | * | cis | -148.4 | 149.3 | 7.8 | -114.1 | -62.5 | 0 | 0 | 0 | 110.9 | ||||
| 463 | S | 27 | Very low | 28.5 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | 59.9 | 147.5 | 149.3 | -128.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 464 | T | 32.6 | Very low | 28.5 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | cis | -157.1 | 143.6 | -0.4 | -16.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 465 | V | 29.5 | Very low | 28.5 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 89% | 0.885 | 75% | 0.753 | S | S | * | * | trans | 43.4 | 125.4 | 148.5 | 172.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 466 | G | 28 | Very low | 28.4 | Very low | 55 Ų | 55 | 127.5 Ų | 127.5 | 57% | 0.567 | 75% | 0.751 | S | S | * | * | 131.6 | 99.6 | 123.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 467 | T | 30.7 | Very low | 28.5 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 91% | 0.914 | 75% | 0.75 | S | S | * | * | trans | 59.8 | 158.6 | 152.7 | 59.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 468 | A | 28.2 | Very low | 27.9 | Very low | 78 Ų | 78 | 126.1 Ų | 126.1 | 65% | 0.645 | 76% | 0.756 | S | S | * | * | cis | -168.1 | 159.2 | -29.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 469 | S | 30.3 | Very low | 28.1 | Very low | 117 Ų | 117 | 123 Ų | 123 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 59.7 | 132.8 | 171.5 | 55.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 470 | S | 25.2 | Very low | 28 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 88% | 0.881 | 75% | 0.753 | S | S | * | * | cis | 68.8 | 110.5 | 28.6 | -158.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 471 | G | 27.9 | Very low | 28.2 | Very low | 63 Ų | 63 | 121.9 Ų | 121.9 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | trans | 173.8 | 29 | -176.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 472 | T | 27 | Very low | 28.3 | Very low | 113 Ų | 113 | 117.8 Ų | 117.8 | 69% | 0.693 | 74% | 0.741 | S | S | * | * | trans | 25.2 | 133 | 144.8 | 47.6 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 473 | Y | 26.9 | Very low | 28.4 | Very low | 202 Ų | 202 | 115.8 Ų | 115.8 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | trans | 81.9 | 105.5 | 132.3 | -65.4 | -40.6 | 0 | 0 | 0 | 124.7 | ||||
| 474 | T | 26.4 | Very low | 28.7 | Very low | 116 Ų | 116 | 116 Ų | 116 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | 65.5 | 155.1 | 122.3 | 62 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 475 | I | 26.1 | Very low | 28.4 | Very low | 163 Ų | 163 | 116.7 Ų | 116.7 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | trans | 92.9 | 139.5 | 160.7 | -45.7 | -170.8 | 0 | 0 | 0 | 116.3 | ||||
| 476 | N | 25.5 | Very low | 28.3 | Very low | 143 Ų | 143 | 112.6 Ų | 112.6 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | trans | -73.8 | 174.5 | 178.8 | -65.6 | -24.3 | 0 | 0 | 0 | 112.9 | ||||
| 477 | S | 27.7 | Very low | 28.4 | Very low | 109 Ų | 109 | 115 Ų | 115 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | 72.3 | 144.9 | 159.8 | 73.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 478 | S | 28.2 | Very low | 28.2 | Very low | 103 Ų | 103 | 113.3 Ų | 113.3 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | cis | -162 | 148.3 | -17 | -105.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 479 | V | 30.4 | Very low | 28.3 | Very low | 112 Ų | 112 | 114 Ų | 114 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | trans | 38.3 | 101.2 | 135.1 | -178.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 480 | S | 26.9 | Very low | 28.7 | Very low | 108 Ų | 108 | 113.4 Ų | 113.4 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | 63.2 | 166.4 | 123.1 | -52.6 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 481 | V | 30 | Very low | 28.9 | Very low | 123 Ų | 123 | 113.4 Ų | 113.4 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | cis | -155.7 | 161.2 | -22.2 | 126.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 482 | G | 30.9 | Very low | 28.8 | Very low | 53 Ų | 53 | 113.8 Ų | 113.8 | 55% | 0.546 | 74% | 0.735 | S | S | . | * | trans | 104 | 89.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 483 | T | 30.3 | Very low | 28.9 | Very low | 134 Ų | 134 | 114 Ų | 114 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | -17.2 | 152.8 | 102.3 | 25.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 484 | P | 34.6 | Very low | 29.5 | Very low | 105 Ų | 105 | 109.8 Ų | 109.8 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | cis | -145.1 | 153.5 | 39.5 | 38.7 | -18.7 | 0 | 0 | 0 | 118.6 | ||||
| 485 | T | 26.5 | Very low | 29.7 | Very low | 132 Ų | 132 | 112.5 Ų | 112.5 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | trans | 58.3 | 135.9 | 144.9 | 54.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 486 | G | 27.6 | Very low | 29.9 | Very low | 60 Ų | 60 | 110.2 Ų | 110.2 | 62% | 0.619 | 73% | 0.732 | S | S | * | * | cis | 171.3 | -156.2 | 1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 487 | S | 28.4 | Very low | 30.2 | Very low | 105 Ų | 105 | 111.3 Ų | 111.3 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | 59 | 81.6 | -178.1 | 55.6 | 0 | 0 | 0 | 0 | 116.3 | S489 | S487-S489 WeakPolarHBondContact CB-OG 3.42Š| ||
| 488 | A | 27.6 | Very low | 30.4 | Very low | 114 Ų | 114 | 111.9 Ų | 111.9 | 94% | 0.942 | 73% | 0.727 | S | S | * | * | -86.5 | 121.6 | 119.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 489 | S | 29.2 | Very low | 30.4 | Very low | 93 Ų | 93 | 115.7 Ų | 115.7 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | trans | -112.8 | 172.3 | -175.5 | -65.3 | 0 | 0 | 0 | 0 | 109.5 | S487 | S487-S489 WeakPolarHBondContact CB-OG 3.42Š| ||
| 490 | P | 38.9 | Very low | 30.4 | Very low | 105 Ų | 105 | 116.1 Ų | 116.1 | 68% | 0.682 | 74% | 0.736 | S | S | * | * | cis | -142.5 | -163 | -46.3 | 40 | -21.8 | 0 | 0 | 0 | 112.6 | ||||
| 491 | T | 29.9 | Very low | 30.6 | Very low | 126 Ų | 126 | 115.1 Ų | 115.1 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | 56.5 | 114.6 | 151.7 | 54.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 492 | G | 26.9 | Very low | 30.4 | Very low | 70 Ų | 70 | 115.4 Ų | 115.4 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | -111.3 | 162.2 | 99.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 493 | S | 27.5 | Very low | 30.7 | Very low | 118 Ų | 118 | 118.1 Ų | 118.1 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | cis | -154.5 | -165.9 | 2.7 | -54.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 494 | P | 39.1 | Very low | 30.4 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | cis | -131.3 | 156.5 | -15.1 | 39.1 | -23.8 | 0 | 0 | 0 | 114.7 | ||||
| 495 | H | 30.7 | Very low | 30 | Very low | 173 Ų | 173 | 116.8 Ų | 116.8 | 80% | 0.801 | 73% | 0.734 | S | S | * | * | -162.8 | 174.3 | 128.2 | -132.9 | -103.2 | 0 | 0 | 0 | 113 | |||||
| 496 | L | 32.2 | Very low | 29.8 | Very low | 115 Ų | 115 | 114.6 Ų | 114.6 | 60% | 0.602 | 72% | 0.724 | S | S | * | * | trans | -59 | 150 | -165.3 | -92.8 | 50.3 | 0 | 0 | 0 | 119.2 | ||||
| 497 | E | 30.1 | Very low | 30 | Very low | 166 Ų | 166 | 114.8 Ų | 114.8 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | trans | 82.3 | 123.5 | 132.3 | -71.9 | 163.3 | 175.2 | 0 | 0 | 124.4 | ||||
| 498 | D | 31.7 | Very low | 29.9 | Very low | 120 Ų | 120 | 117.6 Ų | 117.6 | 64% | 0.642 | 72% | 0.722 | S | S | * | * | trans | 44.9 | 103.3 | 142.8 | -85.7 | -38.6 | 0 | 0 | 0 | 124.1 | ||||
| 499 | K | 29.9 | Very low | 30 | Very low | 184 Ų | 184 | 122.5 Ų | 122.5 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | 70.6 | 159.7 | 121.3 | -76.6 | 179.8 | -168.5 | 117.3 | 0 | 121.9 | |||||
| 500 | P | 29.3 | Very low | 29.8 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | trans | -125.2 | 136.9 | -162.6 | 37.9 | -20.2 | 0 | 0 | 0 | 116.9 | ||||
| 501 | A | 30.5 | Very low | 29.1 | Very low | 87 Ų | 87 | 121.5 Ų | 121.5 | 72% | 0.719 | 72% | 0.724 | S | S | * | * | trans | -159.1 | 137.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 502 | T | 26.1 | Very low | 28.9 | Very low | 129 Ų | 129 | 124 Ų | 124 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | cis | 88.4 | 154.1 | 30.3 | 80.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 503 | P | 38.4 | Very low | 28.8 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 71% | 0.714 | 73% | 0.726 | S | S | * | * | -146 | -161.6 | -103.7 | 33.2 | -6.1 | 0 | 0 | 0 | 117.4 | |||||
| 504 | V | 24.2 | Very low | 28.7 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 66% | 0.655 | 72% | 0.724 | S | S | * | * | trans | 77.9 | 159.5 | 155.6 | -138.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 505 | T | 25 | Very low | 27.9 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 64% | 0.638 | 73% | 0.731 | S | S | * | * | trans | 75.6 | 151.2 | 160.7 | 54.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 506 | S | 23.9 | Very low | 28.1 | Very low | 86 Ų | 86 | 130 Ų | 130 | 60% | 0.601 | 72% | 0.724 | S | S | * | * | cis | -155 | -174.7 | -14.6 | 44.5 | 0 | 0 | 0 | 0 | 111.4 | I877 | S506-I877 VanDerWaalsContact CA-O 3.23Å; S506-I877 WeakPolarHBondContact CA-O 3.38Å; S506-I877 VanDerWaalsContact CB-O 3.3Å; S506-I877 WeakPolarHBondContact CB-O 3.3Å | ||
| 507 | S | 30.1 | Very low | 28.1 | Very low | 63 Ų | 63 | 130.2 Ų | 130.2 | 44% | 0.441 | 73% | 0.726 | S | S | . | * | trans | -103.7 | 149.9 | 178.6 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | I877 | S507-I877 WeakPolarHBondContact OG-CG2 3.4Š| ||
| 508 | D | 27.5 | Very low | 28.1 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 88% | 0.877 | 73% | 0.725 | S | S | * | * | trans | -151.9 | -179.8 | 151.1 | -127.6 | -33 | 0 | 0 | 0 | 114.6 | ||||
| 509 | Y | 28.3 | Very low | 27.9 | Very low | 217 Ų | 217 | 132 Ų | 132 | 85% | 0.851 | 73% | 0.732 | S | S | * | * | trans | -113.4 | 160.5 | -148.8 | -114.3 | -96 | 0 | 0 | 0 | 118.5 | ||||
| 510 | A | 26.1 | Very low | 27.6 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | trans | 68.1 | 146.8 | 154 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 511 | A | 23.8 | Very low | 27.3 | Very low | 87 Ų | 87 | 129 Ų | 129 | 72% | 0.719 | 72% | 0.724 | S | S | * | * | cis | -163.6 | -174 | -12.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 512 | Q | 24.9 | Very low | 27 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | 74.9 | 148.6 | 171.4 | -59.1 | -174.2 | 3.6 | 0 | 0 | 115.5 | ||||
| 513 | I | 25.5 | Very low | 27.3 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 70% | 0.697 | 73% | 0.726 | S | S | * | * | cis | -150.5 | 141 | 1.4 | -126.4 | 162.8 | 0 | 0 | 0 | 112.5 | ||||
| 514 | V | 25.5 | Very low | 26.6 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | 65.1 | 155.6 | 153.1 | 177.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 515 | W | 22.8 | Very low | 26.8 | Very low | 237 Ų | 237 | 137.4 Ų | 137.4 | 90% | 0.898 | 74% | 0.738 | S | S | * | * | trans | -118 | -157.6 | -167.6 | -91.6 | 34.3 | 0 | 0 | 0 | 108.5 | ||||
| 516 | P | 35.5 | Very low | 26.9 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | cis | -145.9 | -162.9 | 10 | 45.5 | -24 | 0 | 0 | 0 | 117.4 | ||||
| 517 | N | 30.4 | Very low | 26.9 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 64% | 0.642 | 75% | 0.753 | S | S | * | * | trans | 92 | 135.5 | -176.6 | -58.9 | -88.6 | 0 | 0 | 0 | 113.6 | ||||
| 518 | K | 31 | Very low | 26.7 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | cis | -155.7 | 153.2 | -21.2 | -95 | -167.8 | -180 | 88.7 | 0 | 105.4 | ||||
| 519 | L | 27.2 | Very low | 26.6 | Very low | 150 Ų | 150 | 145 Ų | 145 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | cis | -150.7 | -172.9 | 1 | -128.4 | -179.8 | 0 | 0 | 0 | 109.3 | ||||
| 520 | S | 23.2 | Very low | 26.6 | Very low | 86 Ų | 86 | 139.3 Ų | 139.3 | 60% | 0.601 | 77% | 0.772 | S | S | * | * | trans | -138.5 | 169.6 | 169.8 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 521 | L | 23.5 | Very low | 26.6 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | -174.5 | 170.9 | 70.7 | -84.9 | 172 | 0 | 0 | 0 | 113.2 | |||||
| 522 | R | 25.3 | Very low | 26.9 | Very low | 226 Ų | 226 | 144 Ų | 144 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -45.3 | 170.2 | 151 | -75.7 | -178.8 | -179.8 | -176.6 | 0.8 | 113 | ||||
| 523 | P | 30.5 | Very low | 27.2 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | -166.6 | 179 | 53.7 | 46.9 | -23.3 | 0 | 0 | 0 | 123.2 | |||||
| 524 | L | 24 | Very low | 27.5 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | 67.3 | 173.7 | 141.2 | -80.4 | 163.2 | 0 | 0 | 0 | 121.8 | ||||
| 525 | S | 28.9 | Very low | 27.6 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -143.9 | 132.8 | -170.9 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 526 | V | 26.8 | Very low | 27.9 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | -148.9 | 161.5 | 160.9 | -164.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 527 | S | 24.7 | Very low | 27.9 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | trans | -112.6 | 160.4 | -172.6 | -51 | 0 | 0 | 0 | 0 | 115 | ||||
| 528 | N | 25.2 | Very low | 28.4 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | 74.7 | 163.7 | 153.3 | -69.2 | -11.3 | 0 | 0 | 0 | 121 | ||||
| 529 | L | 26.2 | Very low | 28.1 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | 78.5 | 124.4 | -171.9 | -56.3 | 172.3 | 0 | 0 | 0 | 114.4 | ||||
| 530 | A | 26.6 | Very low | 28.3 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | cis | -150.7 | 176 | -3.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 531 | L | 27.1 | Very low | 28.4 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -72.6 | 178.9 | 179.1 | -82.5 | 164.6 | 0 | 0 | 0 | 112.8 | ||||
| 532 | P | 30.5 | Very low | 28.6 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | cis | -136.3 | 162.7 | 15.2 | 36.6 | -16.2 | 0 | 0 | 0 | 118.8 | ||||
| 533 | R | 31.7 | Very low | 28.5 | Very low | 210 Ų | 210 | 140.8 Ų | 140.8 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -96.6 | 151.5 | 149.2 | -160.6 | -168.4 | -147 | 176.1 | 7.3 | 107.3 | ||||
| 534 | P | 30.1 | Very low | 28.3 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -124.7 | 149 | 137.1 | 35.4 | -30 | 0 | 0 | 0 | 112 | ||||
| 535 | S | 28.3 | Very low | 28.4 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | -143.4 | 116.1 | 171 | 54.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 536 | S | 29.4 | Very low | 28.2 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -132.6 | 123 | 172.1 | 45.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 537 | A | 35.3 | Very low | 28.3 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -93 | -152.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 538 | P | 39.9 | Very low | 28.2 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 68% | 0.682 | 81% | 0.808 | S | S | * | * | cis | -145.6 | 178.5 | 13.9 | 44.1 | -23.1 | 0 | 0 | 0 | 118.4 | ||||
| 539 | Q | 25.8 | Very low | 28.3 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | 55.7 | 108.1 | 141.9 | -75.9 | 171.2 | 19.3 | 0 | 0 | 122.4 | ||||
| 540 | S | 30.6 | Very low | 28.2 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | -158.4 | 160.4 | 102.9 | 56.9 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 541 | G | 26.7 | Very low | 28 | Very low | 61 Ų | 61 | 146.2 Ų | 146.2 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | cis | -169.4 | -167.5 | -5.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 542 | W | 27.9 | Very low | 27.9 | Very low | 258 Ų | 258 | 146.8 Ų | 146.8 | 98% | 0.977 | 80% | 0.799 | S | S | * | * | trans | 78 | 123.2 | 174.3 | -59.5 | 103 | 0 | 0 | 0 | 120.3 | ||||
| 543 | R | 21.5 | Very low | 27.9 | Very low | 241 Ų | 241 | 149.1 Ų | 149.1 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -88.8 | 149 | 151.9 | -55.8 | 174.9 | 178.5 | -139.6 | 4.7 | 108.7 | ||||
| 544 | A | 27.1 | Very low | 27.6 | Very low | 97 Ų | 97 | 145 Ų | 145 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -165.1 | 150.4 | 139.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 545 | S | 26.3 | Very low | 27.4 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -23 | 147.1 | 166.8 | 54.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 546 | L | 24.4 | Very low | 27.4 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | -12.8 | 145.6 | 129.5 | -86.8 | 160 | 0 | 0 | 0 | 115.6 | |||||
| 547 | P | 28.8 | Very low | 27.2 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | -150.3 | -177.4 | 69 | 41.8 | -22.7 | 0 | 0 | 0 | 118.1 | |||||
| 548 | R | 22.4 | Very low | 26.7 | Very low | 218 Ų | 218 | 150 Ų | 150 | 82% | 0.823 | 82% | 0.82 | S | S | * | * | trans | -54.5 | 144.6 | 175.9 | -46.5 | 159.7 | -179.2 | 161.4 | -1.2 | 113.4 | ||||
| 549 | H | 27.3 | Very low | 25.9 | Very low | 179 Ų | 179 | 152 Ų | 152 | 83% | 0.829 | 82% | 0.824 | S | S | * | * | trans | -143.8 | 116 | 132 | -97.3 | -88.7 | 0 | 0 | 0 | 107.1 | ||||
| 550 | V | 25.2 | Very low | 25.9 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | 80.8 | 118.8 | 72.9 | 169.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 551 | M | 22.2 | Very low | 25.8 | Very low | 173 Ų | 173 | 149.1 Ų | 149.1 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | trans | -78.8 | 145.1 | 172.1 | -50.9 | 175.3 | 81.6 | 0 | 0 | 110.3 | ||||
| 552 | Q | 25.4 | Very low | 26 | Very low | 172 Ų | 172 | 152.5 Ų | 152.5 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | 168.4 | 152.7 | 120.6 | -94.2 | 171.1 | 1.2 | 0 | 0 | 110.2 | |||||
| 553 | N | 29.1 | Very low | 26 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -149.8 | 118.1 | 146.4 | -123.6 | -18.2 | 0 | 0 | 0 | 109.8 | ||||
| 554 | T | 26.3 | Very low | 26.3 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -136 | 130.7 | 165.8 | 26.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 555 | S | 26.6 | Very low | 26.3 | Very low | 132 Ų | 132 | 143 Ų | 143 | 92% | 0.923 | 81% | 0.806 | S | S | * | * | trans | -64.8 | 146.9 | -162.5 | -41.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 556 | G | 27.6 | Very low | 27 | Very low | 78 Ų | 78 | 142.8 Ų | 142.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 178.5 | 96 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 557 | I | 24.9 | Very low | 27.3 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | trans | -83 | 139 | 168.7 | -66.6 | 170 | 0 | 0 | 0 | 108.8 | ||||
| 558 | L | 23.8 | Very low | 27.3 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -150.7 | 165.6 | 149.7 | -115.9 | 173.7 | 0 | 0 | 0 | 110.8 | ||||
| 559 | I | 23.4 | Very low | 27.6 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | -116.3 | 137 | -155.7 | -62.1 | 158.5 | 0 | 0 | 0 | 111.2 | ||||
| 560 | A | 25.4 | Very low | 27.5 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -162.6 | 133.5 | 149.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 561 | Q | 28.8 | Very low | 27.5 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -90.9 | 177.3 | 161.4 | -69.7 | 179.6 | -55.6 | 0 | 0 | 109.9 | ||||
| 562 | P | 32.3 | Very low | 27.6 | Very low | 131 Ų | 131 | 133 Ų | 133 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | -130.2 | 162.9 | 107.8 | 37.3 | -31.5 | 0 | 0 | 0 | 114.5 | |||||
| 563 | N | 26.4 | Very low | 27.6 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | trans | -82.6 | 160.7 | -178.1 | -66.9 | -44.3 | 0 | 0 | 0 | 113.4 | ||||
| 564 | V | 28.1 | Very low | 27.4 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | 177.8 | 145 | 113.3 | 152.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 565 | T | 28 | Very low | 27.4 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -118.1 | -172.6 | 179.5 | 50.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 566 | P | 40.5 | Very low | 27.3 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | cis | -147.6 | -156.1 | 17.4 | 42.6 | -17.9 | 0 | 0 | 0 | 117.4 | ||||
| 567 | T | 31.5 | Very low | 27.3 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | 76.6 | 138.2 | 178 | 73.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 568 | G | 28.4 | Very low | 27.7 | Very low | 75 Ų | 75 | 129.1 Ų | 129.1 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | cis | 165.8 | 164.8 | -9.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 569 | S | 29.3 | Very low | 28.5 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | cis | -177.2 | 144.3 | -20 | 51 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 570 | M | 25 | Very low | 28.8 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | 79.3 | 120.1 | 156 | -73.1 | -164.2 | -70 | 0 | 0 | 125.6 | ||||
| 571 | N | 25.2 | Very low | 29.1 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | 82.9 | 132.9 | 121.3 | -62.4 | -1.3 | 0 | 0 | 0 | 127.6 | |||||
| 572 | V | 23.9 | Very low | 29.1 | Very low | 142 Ų | 142 | 124.9 Ų | 124.9 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | 70.1 | 151.3 | 140.8 | 169.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 573 | A | 25.5 | Very low | 28.7 | Very low | 80 Ų | 80 | 124.1 Ų | 124.1 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | cis | -128.3 | -175.3 | 3.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 574 | I | 23.5 | Very low | 28.8 | Very low | 157 Ų | 157 | 125.9 Ų | 125.9 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | cis | 86.9 | 121.1 | 8.7 | -51.3 | -178.4 | 0 | 0 | 0 | 118.7 | ||||
| 575 | I | 26.6 | Very low | 28.6 | Very low | 173 Ų | 173 | 124.7 Ų | 124.7 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | trans | 140.4 | 140.4 | 162.6 | -78.1 | 158.3 | 0 | 0 | 0 | 109.7 | ||||
| 576 | G | 25.1 | Very low | 28.6 | Very low | 59 Ų | 59 | 124.4 Ų | 124.4 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | cis | 165.9 | 150 | -12.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 577 | T | 28.3 | Very low | 27.7 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | 75 | 126.8 | 153.7 | 55.9 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 578 | D | 32 | Very low | 27.3 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -92.2 | -177.1 | 165.7 | -33.4 | -103.6 | 0 | 0 | 0 | 113.4 | ||||
| 579 | P | 42.1 | Very low | 27.1 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | -154.5 | -176.5 | 118.1 | 38.9 | -21.6 | 0 | 0 | 0 | 116.6 | |||||
| 580 | N | 29.1 | Very low | 27 | Very low | 151 Ų | 151 | 131 Ų | 131 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | -172.2 | 119.7 | -67.7 | -105 | -43.2 | 0 | 0 | 0 | 112.5 | |||||
| 581 | S | 31 | Very low | 27.2 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -169.5 | 150.4 | 168.2 | -164.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 582 | S | 28.4 | Very low | 27.4 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | cis | 88.7 | 141.1 | 15.7 | 101.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 583 | V | 24.7 | Very low | 27.5 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | cis | -146 | 167.2 | 4.4 | -148.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 584 | H | 28.2 | Very low | 27.6 | Very low | 164 Ų | 164 | 133 Ų | 133 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 68.5 | 146.8 | 165.9 | -63.4 | -60.9 | 0 | 0 | 0 | 119.6 | ||||
| 585 | T | 24.6 | Very low | 27.8 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | cis | 96.7 | 95.7 | -1.7 | 83.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 586 | S | 27.4 | Very low | 28.2 | Very low | 121 Ų | 121 | 132 Ų | 132 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | 177.5 | 177.9 | 155.3 | -80.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 587 | L | 22.8 | Very low | 28.8 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | -160.4 | 153.6 | -71.4 | -115.3 | 173 | 0 | 0 | 0 | 109.2 | |||||
| 588 | L | 23.4 | Very low | 28.7 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 74 | 141.3 | 161.8 | -72.4 | 166.9 | 0 | 0 | 0 | 123.7 | ||||
| 589 | L | 23.4 | Very low | 28.6 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | 75.7 | 120 | 147.9 | -71.5 | 161.1 | 0 | 0 | 0 | 123.6 | ||||
| 590 | S | 26.4 | Very low | 28.1 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 70.6 | 131.7 | 146.6 | -153 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 591 | S | 29.3 | Very low | 27.9 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | cis | -160.4 | 152.5 | -13.4 | 57 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 592 | K | 29.1 | Very low | 28.3 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | trans | 60.1 | 136.7 | 160.5 | -68 | 176.3 | -179.7 | 177.8 | 0 | 119.6 | ||||
| 593 | N | 27.7 | Very low | 28.3 | Very low | 120 Ų | 120 | 136 Ų | 136 | 64% | 0.642 | 75% | 0.749 | S | S | * | * | cis | -161.3 | 127.8 | -21.6 | -130 | 27.3 | 0 | 0 | 0 | 112.4 | ||||
| 594 | Q | 26.8 | Very low | 28.7 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | 47 | 148.7 | 127.5 | -65.1 | 176.2 | -15.3 | 0 | 0 | 123.8 | |||||
| 595 | F | 27.5 | Very low | 28.8 | Very low | 192 Ų | 192 | 135.6 Ų | 135.6 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | cis | -169.3 | 165.1 | -33.2 | -136.5 | -86.5 | 0 | 0 | 0 | 109.6 | ||||
| 596 | T | 35 | Very low | 29 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | trans | -81.5 | 154.7 | 173 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 597 | P | 37.8 | Very low | 29.2 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | trans | -111 | 136.9 | 173.2 | 36.6 | -27.8 | 0 | 0 | 0 | 114.9 | ||||
| 598 | N | 26.6 | Very low | 29.4 | Very low | 151 Ų | 151 | 136 Ų | 136 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | -171 | 147.9 | 112.5 | -114.7 | -37.5 | 0 | 0 | 0 | 117.5 | |||||
| 599 | Q | 29.2 | Very low | 29.5 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | trans | 86 | 120.9 | 151.1 | -76.9 | -173 | 13.5 | 0 | 0 | 124 | ||||
| 600 | I | 31.1 | Very low | 29.7 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | trans | 75.8 | 129.6 | 144.8 | -60.8 | 163.5 | 0 | 0 | 0 | 116.6 | ||||
| 601 | N | 24.7 | Very low | 29.8 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | cis | -176.5 | 173.5 | -17.3 | -101.9 | -8.6 | 0 | 0 | 0 | 107.4 | ||||
| 602 | P | 40.7 | Very low | 29.9 | Very low | 105 Ų | 105 | 134 Ų | 134 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | cis | -136.1 | 175.9 | -31.6 | 39.7 | -23.1 | 0 | 0 | 0 | 115 | ||||
| 603 | S | 28.1 | Very low | 29.9 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | trans | 84.5 | 151.3 | 149.4 | 80.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 604 | Q | 32.8 | Very low | 29.9 | Very low | 185 Ų | 185 | 131.5 Ų | 131.5 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | 75.6 | 95.1 | 166.9 | -57.5 | -158.7 | 7.1 | 0 | 0 | 122.5 | ||||
| 605 | A | 29.7 | Very low | 29.9 | Very low | 84 Ų | 84 | 130.8 Ų | 130.8 | 69% | 0.694 | 74% | 0.743 | S | S | * | * | 71.4 | 121.6 | 118.8 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 606 | N | 29.9 | Very low | 29.7 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | 78.7 | 121.3 | 135 | -64.7 | -1 | 0 | 0 | 0 | 123.9 | ||||
| 607 | N | 30.5 | Very low | 29.8 | Very low | 130 Ų | 130 | 129 Ų | 129 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | trans | 82.7 | 113.1 | 130.7 | -69.6 | -6.2 | 0 | 0 | 0 | 124.2 | ||||
| 608 | L | 27 | Very low | 29.2 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | 73.1 | 111.7 | 120.7 | -61.8 | 171.4 | 0 | 0 | 0 | 122.5 | |||||
| 609 | Q | 27 | Very low | 29.4 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | 71.9 | 128.5 | 120.2 | -74.1 | -175 | -30.2 | 0 | 0 | 124 | |||||
| 610 | I | 26.9 | Very low | 29.4 | Very low | 136 Ų | 136 | 129.1 Ų | 129.1 | 70% | 0.697 | 75% | 0.751 | S | S | * | * | 67.5 | 140.9 | 128.3 | -60.3 | 171.1 | 0 | 0 | 0 | 117.4 | T612 | I610-T612 HydrophobicContact CG2-CG2 4.18Š| |||
| 611 | G | 28.6 | Very low | 29.1 | Very low | 69 Ų | 69 | 130.6 Ų | 130.6 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | cis | -172.9 | -146.1 | 3.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 612 | T | 30.7 | Very low | 29.3 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | cis | -169.9 | 142.6 | -5.7 | -11.4 | 0 | 0 | 0 | 0 | 109.9 | I610 V614 | I610-T612 HydrophobicContact CG2-CG2 4.18Å; T612-V614 HydrophobicContact CG2-CG2 3.97Å | ||
| 613 | T | 29.4 | Very low | 28.6 | Very low | 143 Ų | 143 | 131 Ų | 131 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | -179.3 | 92.2 | 145.5 | 27.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 614 | V | 27.7 | Very low | 28.6 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | 81.6 | 105.2 | 63.9 | 176.5 | 0 | 0 | 0 | 0 | 113.3 | T612 | T612-V614 HydrophobicContact CG2-CG2 3.97Š| |||
| 615 | T | 26 | Very low | 28.2 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 87% | 0.871 | 76% | 0.76 | S | S | * | * | trans | -161.8 | 129.4 | 133.4 | 2.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 616 | I | 24 | Very low | 28.2 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -166.3 | 174.9 | 178.5 | 10.6 | 171.8 | 0 | 0 | 0 | 105.6 | ||||
| 617 | P | 37.4 | Very low | 28.1 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | -134.2 | -168.8 | -1.8 | 34 | -11 | 0 | 0 | 0 | 115.4 | ||||
| 618 | N | 25.5 | Very low | 27.9 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -47.8 | 147.6 | 175.7 | -52 | -22.5 | 0 | 0 | 0 | 117.5 | ||||
| 619 | V | 29.5 | Very low | 27.9 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -146 | 125.2 | 157.8 | 179.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 620 | V | 29.6 | Very low | 27.7 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | 69.2 | 147.8 | 156.1 | 171.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 621 | M | 26 | Very low | 27.7 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -72 | 156 | -177.4 | -53.2 | 167 | -77.6 | 0 | 0 | 115 | ||||
| 622 | A | 29.1 | Very low | 27.4 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -141.3 | 118.8 | 136.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 623 | N | 25.4 | Very low | 27.3 | Very low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -111.6 | 163.2 | 176 | -112.5 | -1.2 | 0 | 0 | 0 | 110 | ||||
| 624 | N | 27.9 | Very low | 27 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | 91.9 | 102.2 | 165.4 | -59.5 | -9.4 | 0 | 0 | 0 | 119.4 | ||||
| 625 | T | 24.7 | Very low | 26.7 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | 65.5 | 113 | 117.7 | -39.3 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 626 | I | 29.9 | Very low | 26.8 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | -146.6 | 154.3 | 129.8 | -101.4 | 153.3 | 0 | 0 | 0 | 108.4 | |||||
| 627 | L | 27.2 | Very low | 26.7 | Very low | 130 Ų | 130 | 130 Ų | 130 | 68% | 0.681 | 75% | 0.752 | S | S | * | * | trans | -69.1 | 151.7 | -160.7 | -62.6 | 81.9 | 0 | 0 | 0 | 115.1 | S629 | L627-S629 PolarHBondContact O-N 3.17Š| ||
| 628 | P | 25.8 | Very low | 26.1 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | trans | -78.7 | 110.4 | 160.4 | 32.4 | -30.4 | 0 | 0 | 0 | 110.3 | ||||
| 629 | S | 27.7 | Very low | 26 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -85.7 | 145.2 | 171.4 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | L627 L631 | L627-S629 PolarHBondContact O-N 3.17Å; S629-L631 PolarHBondContact O-N 3.46Å | ||
| 630 | S | 22.6 | Very low | 25.8 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | -77 | 113.5 | -178.2 | 39.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 631 | L | 26.6 | Very low | 25.6 | Very low | 162 Ų | 162 | 129 Ų | 129 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | trans | -120.1 | 111.1 | 165.9 | -83.5 | 171.4 | 0 | 0 | 0 | 110.8 | S629 P633 | S629-L631 PolarHBondContact O-N 3.46Å; L631-P633 WeakPolarHBondContact O-CD 3.49Å | ||
| 632 | T | 22.5 | Very low | 25.5 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 120.7 | 171.7 | 38.4 | 0 | 0 | 0 | 0 | 110.2 | I634 | T632-I634 PolarHBondContact O-N 3.03Š|
| 633 | P | 28.2 | Very low | 25.2 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 128.5 | 170.9 | 28.9 | -32 | 0 | 0 | 0 | 110.2 | L631 | L631-P633 WeakPolarHBondContact O-CD 3.49Š|
| 634 | I | 24.3 | Very low | 25.2 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 161.9 | -169.7 | -62.8 | 167.4 | 0 | 0 | 0 | 111 | T632 | T632-I634 PolarHBondContact O-N 3.03Š|
| 635 | R | 22 | Very low | 24.9 | Very low | 194 Ų | 194 | 133 Ų | 133 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 163.8 | 165.4 | -71.3 | 173.8 | 163.4 | 150.4 | -10.3 | 111.9 | H884 | R635-H884 HydrophobicContact CB-CB 4.14Å; R635-H884 PolarHBondContact O-CE1 2.91Å; R635-H884 PolarHBondContact O-ND1 3.35Å; R635-H884 PolarHBondContact O-NE2 2.84Å |
| 636 | A | 26.8 | Very low | 24.9 | Very low | 62 Ų | 62 | 133.7 Ų | 133.7 | 51% | 0.512 | 74% | 0.744 | S | S | . | * | trans | -137.7 | 164.2 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | L885 | A636-L885 CarbonylContact O-C 3.53Å; A636-L885 WeakPolarHBondContact O-CA 3.28Å; A636-L885 VanDerWaalsContact O-CB 3.32Å; A636-L885 WeakPolarHBondContact O-CB 3.24Å; A636-L885 PolarHBondContact O-N 3.33Å | ||
| 637 | I | 22.8 | Very low | 24.5 | Very low | 60 Ų | 60 | 133.8 Ų | 133.8 | 31% | 0.308 | 74% | 0.74 | S | S | . | * | cis | 103.4 | 18.6 | 3.9 | -74.8 | 156.5 | 0 | 0 | 0 | 112.9 | M639 L883 L885 | I637-M639 HydrophobicContact CD1-CG 3.95Å; I637-M639 HydrophobicContact CG1-CB 4.48Å; I637-M639 HydrophobicContact CG1-CG 4.06Å; I637-M639 PolarHBondContact O-N 3.05Å; I637-L883 HydrophobicContact CD1-CB 4Å; I637-L883 HydrophobicContact CD1-CD2 4.35Å; I637-L885 HydrophobicContact CD1-CD2 4.06Å; I637-L885 HydrophobicContact CD1-CG 4.24Å; I637-L885 HydrophobicContact CG1-CD1 4.15Å; I637-L885 HydrophobicContact CG1-CD2 4.33Å; I637-L885 HydrophobicContact CG1-CG 3.96Å | ||
| 638 | C | 23.8 | Very low | 24.3 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 72% | 0.716 | 75% | 0.748 | S | S | * | * | trans | -82.4 | 86.9 | 160.6 | -160.5 | 0 | 0 | 0 | 0 | 110 | L885 | C638-L885 HydrophobicContact CB-CD1 4.47Š| ||
| 639 | M | 23.3 | Very low | 24.3 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | trans | -80.8 | 138 | 157.2 | -95 | -75.5 | -172 | 0 | 0 | 107.6 | I637 M641 L883 | I637-M639 HydrophobicContact CD1-CG 3.95Å; I637-M639 HydrophobicContact CG1-CB 4.48Å; I637-M639 HydrophobicContact CG1-CG 4.06Å; I637-M639 PolarHBondContact O-N 3.05Å; M639-M641 PolarHBondContact O-N 2.97Å; M639-L883 HydrophobicContact CE-CD1 4.3Å | ||
| 640 | P | 26.5 | Very low | 24.1 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | -81.6 | 113 | -175.7 | 31 | -33.4 | 0 | 0 | 0 | 112.2 | ||||
| 641 | M | 25.6 | Very low | 24.2 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | -108.9 | 115.6 | 149.6 | -67.2 | -149.9 | 74.6 | 0 | 0 | 107.1 | M639 | M639-M641 PolarHBondContact O-N 2.97Š| ||
| 642 | Q | 23.4 | Very low | 24.1 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | 62 | 111.9 | 85 | -74.3 | -166.5 | -19.7 | 0 | 0 | 113.4 | |||||
| 643 | H | 23.3 | Very low | 24.4 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 88% | 0.884 | 75% | 0.748 | S | S | * | * | trans | 33.7 | 88.9 | 153.4 | -70.5 | -90.6 | 0 | 0 | 0 | 118.2 | ||||
| 644 | Q | 24 | Very low | 24.2 | Very low | 189 Ų | 189 | 133 Ų | 133 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | -141.2 | 129.5 | 129.3 | -117.3 | 173.8 | 19 | 0 | 0 | 111.5 | |||||
| 645 | S | 22.1 | Very low | 24.3 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | -93 | 111.8 | 178.1 | 50.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 646 | V | 23.8 | Very low | 24.5 | Very low | 133 Ų | 133 | 127 Ų | 127 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | -113.3 | 86.9 | 161.8 | -176.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 647 | Q | 23.2 | Very low | 24.6 | Very low | 167 Ų | 167 | 132 Ų | 132 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | 65.8 | 85.5 | 76.9 | -164.6 | 172.3 | 8.7 | 0 | 0 | 110.6 | G649 | Q647-G649 PolarHBondContact O-N 3.42Š| |||
| 648 | L | 22.2 | Very low | 24.8 | Very low | 161 Ų | 161 | 137 Ų | 137 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -60.6 | 126.3 | 166.1 | -163.4 | 78.4 | 0 | 0 | 0 | 108 | Q650 | L648-Q650 PolarHBondContact O-N 3.1Š| ||
| 649 | G | 26.5 | Very low | 24.9 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | -66.1 | 93.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q647 | Q647-G649 PolarHBondContact O-N 3.42Š| ||
| 650 | Q | 23.8 | Very low | 25 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -74 | 127.2 | 170.7 | -70.1 | -176.7 | -59.1 | 0 | 0 | 110 | L648 T652 | L648-Q650 PolarHBondContact O-N 3.1Å; Q650-T652 PolarHBondContact O-N 3.06Å | ||
| 651 | I | 24 | Very low | 25 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -70.9 | 109 | 156.3 | -68.4 | 174.8 | 0 | 0 | 0 | 106.9 | ||||
| 652 | T | 24.8 | Very low | 25.1 | Very low | 114 Ų | 114 | 137 Ų | 137 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | trans | 20.5 | 116.3 | 155.8 | 59.3 | 0 | 0 | 0 | 0 | 118.6 | Q650 | Q650-T652 PolarHBondContact O-N 3.06Š| ||
| 653 | S | 28.3 | Very low | 25.4 | Very low | 126 Ų | 126 | 139 Ų | 139 | 88% | 0.881 | 82% | 0.824 | S | S | * | * | 178.1 | 151.5 | 103.7 | 41.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 654 | G | 24.8 | Very low | 25.8 | Very low | 69 Ų | 69 | 135.6 Ų | 135.6 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | -103.4 | 158.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 655 | S | 26 | Very low | 26.1 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | trans | 62.5 | 91.4 | 170.1 | -164.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 656 | G | 26.6 | Very low | 26.6 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 173.8 | 93.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 657 | N | 27.8 | Very low | 27 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | trans | 67.2 | 137.2 | 165.7 | -59.9 | -24.3 | 0 | 0 | 0 | 119.1 | ||||
| 658 | N | 27.2 | Very low | 27.8 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -90.9 | 123.8 | -175.8 | -67.2 | -41.7 | 0 | 0 | 0 | 112.8 | ||||
| 659 | T | 27 | Very low | 28.8 | Very low | 138 Ų | 138 | 124.8 Ų | 124.8 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | trans | -140.2 | 141 | 150.4 | 48.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 660 | V | 25.2 | Very low | 29.4 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 124.3 | -171.8 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 661 | P | 26.2 | Very low | 30.4 | Very low | 119 Ų | 119 | 115.8 Ų | 115.8 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -93 | 118.1 | 165.3 | 33.1 | -28.7 | 0 | 0 | 0 | 111.1 | ||
| 662 | S | 26.5 | Very low | 31.4 | Very low | 112 Ų | 112 | 111.1 Ų | 111.1 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 129.6 | 178.6 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | L664 | S662-L664 PolarHBondContact O-N 2.9Š|
| 663 | Q | 31.2 | Very low | 31.9 | Very low | 195 Ų | 195 | 111.6 Ų | 111.6 | 91% | 0.911 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 123.4 | 172.3 | -76.4 | -170.6 | -10 | 0 | 0 | 112 | K665 | Q663-K665 PolarHBondContact O-N 2.91Š|
| 664 | L | 30 | Very low | 32.4 | Very low | 121 Ų | 121 | 110.9 Ų | 110.9 | 63% | 0.634 | 68% | 0.676 | S | S | * | * | trans | -87.3 | 107.4 | 178.4 | -155.4 | 164 | 0 | 0 | 0 | 110.1 | S662 L666 | S662-L664 PolarHBondContact O-N 2.9Å; L664-L666 PolarHBondContact O-N 3.28Å | ||
| 665 | K | 31.9 | Very low | 32.6 | Very low | 200 Ų | 200 | 111.6 Ų | 111.6 | 87% | 0.87 | 68% | 0.683 | S | S | * | * | trans | -87.7 | 101.7 | -171.5 | -139.2 | 174.1 | -170.1 | 175.2 | 0 | 111.3 | Q663 | Q663-K665 PolarHBondContact O-N 2.91Š| ||
| 666 | L | 31.5 | Very low | 32.8 | Very low | 70 Ų | 70 | 111.2 Ų | 111.2 | 37% | 0.366 | 68% | 0.681 | S | S | . | * | trans | -68.8 | 141.8 | 178.5 | -81.1 | 166.1 | 0 | 0 | 0 | 112.8 | L664 C670 I672 Y688 | L664-L666 PolarHBondContact O-N 3.28Å; L666-C670 HydrophobicContact CD2-CB 4.23Å; L666-I672 HydrophobicContact CD1-CD1 3.98Å; L666-I672 HydrophobicContact CD1-CG1 4.11Å; L666-I672 HydrophobicContact CD2-CD1 4.09Å; L666-I672 HydrophobicContact CD2-CG1 4.13Å; L666-I672 HydrophobicContact CG-CD1 4.32Å; L666-Y688 HydrophobicContact CD2-CD1 3.92Å; L666-Y688 HydrophobicContact CD2-CE1 3.76Å | ||
| 667 | P | 32.9 | Very low | 32.8 | Very low | 81 Ų | 81 | 110.9 Ų | 110.9 | 53% | 0.526 | 68% | 0.678 | S | S | . | * | trans | -65.8 | 151.1 | 169.2 | -20.8 | 33.4 | 0 | 0 | 0 | 112.9 | G669 C670 | P667-G669 PolarHBondContact O-N 3.02Å; P667-G669 VanDerWaalsContact O-N 3.1Å; P667-C670 PolarHBondContact O-N 3Å | ||
| 668 | P | 39.1 | Very low | 32.9 | Very low | 143 Ų | 143 | 112.4 Ų | 112.4 | 93% | 0.929 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 113.8 | 172.6 | -19.3 | 31.9 | 0 | 0 | 0 | 111 | ||
| 669 | G | 43.8 | Very low | 32.9 | Very low | 39 Ų | 39 | 109.9 Ų | 109.9 | 40% | 0.402 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 120.7 | -12.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P667 R691 | P667-G669 PolarHBondContact O-N 3.02Å; P667-G669 VanDerWaalsContact O-N 3.1Å; G669-R691 WeakPolarHBondContact O-CB 3.35Å; G669-R691 PolarHBondContact O-N 3.23Å |
| 670 | C | 39.7 | Very low | 33.1 | Very low | 34 Ų | 34 | 109.4 Ų | 109.4 | 23% | 0.23 | 67% | 0.669 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.9 | 148.4 | 175.4 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | L666 P667 | L666-C670 HydrophobicContact CD2-CB 4.23Å; P667-C670 PolarHBondContact O-N 3Å |
| 671 | A | 44.7 | Very low | 33.3 | Very low | 36 Ų | 36 | 110 Ų | 110 | 30% | 0.298 | 67% | 0.668 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.9 | 149.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V689 | A671-V689 PolarHBondContact N-O 3.13Å; A671-V689 PolarHBondContact O-N 3.25Å |
| 672 | I | 44.8 | Very low | 33.5 | Very low | 60 Ų | 60 | 112.1 Ų | 112.1 | 31% | 0.308 | 67% | 0.671 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.9 | 134.6 | 171.7 | -71.8 | 173.9 | 0 | 0 | 0 | 108.5 | L666 T674 I686 Y688 | L666-I672 HydrophobicContact CD1-CD1 3.98Å; L666-I672 HydrophobicContact CD1-CG1 4.11Å; L666-I672 HydrophobicContact CD2-CD1 4.09Å; L666-I672 HydrophobicContact CD2-CG1 4.13Å; L666-I672 HydrophobicContact CG-CD1 4.32Å; I672-T674 HydrophobicContact CG2-CG2 3.84Å; I672-I686 HydrophobicContact CD1-CG2 4.16Å; I672-I686 HydrophobicContact CG1-CG2 4.12Å; I672-I686 HydrophobicContact CG2-CG2 3.98Å; I672-Y688 HydrophobicContact CD1-CE1 3.93Å; I672-Y688 HydrophobicContact CG1-CD1 4.02Å; I672-Y688 HydrophobicContact CG1-CE1 3.92Å |
| 673 | L | 35.7 | Very low | 33.6 | Very low | 124 Ų | 124 | 113.2 Ų | 113.2 | 65% | 0.649 | 67% | 0.673 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.8 | 162.9 | -78.5 | 165 | 0 | 0 | 0 | 109.6 | I687 V689 | L673-I687 PolarHBondContact N-O 2.84Å; L673-V689 HydrophobicContact CD1-CG2 4.26Å |
| 674 | T | 37.1 | Very low | 33.5 | Very low | 110 Ų | 110 | 107.4 Ų | 107.4 | 68% | 0.675 | 67% | 0.665 | S | S | * | * | trans | -118.2 | 122.3 | 169 | 49.2 | 0 | 0 | 0 | 0 | 109.3 | I672 | I672-T674 HydrophobicContact CG2-CG2 3.84Š| ||
| 675 | G | 30.8 | Very low | 33.7 | Very low | 84 Ų | 84 | 112.3 Ų | 112.3 | 87% | 0.866 | 68% | 0.675 | S | S | * | * | trans | -75.9 | 127.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G677 | G675-G677 PolarHBondContact O-N 3.36Š| ||
| 676 | S | 29.3 | Very low | 33.8 | Very low | 129 Ų | 129 | 107 Ų | 107 | 90% | 0.902 | 66% | 0.656 | S | S | * | * | trans | -88.5 | 88.9 | 176 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 677 | G | 27.5 | Very low | 34.4 | Very low | 63 Ų | 63 | 107.7 Ų | 107.7 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | trans | -101.3 | 128.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G675 T679 | G675-G677 PolarHBondContact O-N 3.36Å; G677-T679 VanDerWaalsContact C-N 3.29Å; G677-T679 PolarHBondContact O-N 2.87Å | ||
| 678 | Q | 28.2 | Very low | 34.6 | Very low | 200 Ų | 200 | 108 Ų | 108 | 94% | 0.935 | 65% | 0.65 | S | S | * | * | trans | -87 | 58.4 | 173.6 | -72.6 | -170.7 | -15.4 | 0 | 0 | 112.1 | ||||
| 679 | T | 27.8 | Very low | 35.1 | Very low | 110 Ų | 110 | 102.7 Ų | 102.7 | 68% | 0.675 | 62% | 0.615 | S | S | * | * | trans | -142.6 | 126.9 | 169.8 | 44.1 | 0 | 0 | 0 | 0 | 111 | G677 N681 | G677-T679 VanDerWaalsContact C-N 3.29Å; G677-T679 PolarHBondContact O-N 2.87Å; T679-N681 VanDerWaalsContact C-N 3.25Å; T679-N681 PolarHBondContact O-N 3.48Å | ||
| 680 | P | 31.2 | Very low | 35.6 | Very low | 128 Ų | 128 | 102.2 Ų | 102.2 | 83% | 0.831 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -84.5 | 60.5 | -177.8 | 35.5 | -36.3 | 0 | 0 | 0 | 111.8 | ||
| 681 | N | 29.4 | Very low | 35.9 | Very low | 152 Ų | 152 | 110.4 Ų | 110.4 | 81% | 0.813 | 63% | 0.629 | S | S | * | * | trans | -169.1 | 77.4 | 167 | -101.7 | -28.7 | 0 | 0 | 0 | 112.5 | T679 | T679-N681 VanDerWaalsContact C-N 3.25Å; T679-N681 PolarHBondContact O-N 3.48Å | ||
| 682 | I | 29.7 | Very low | 35.7 | Very low | 163 Ų | 163 | 113.2 Ų | 113.2 | 84% | 0.836 | 65% | 0.652 | S | S | * | * | trans | -167.4 | 136.9 | 152.4 | -100.5 | 147.8 | 0 | 0 | 0 | 108 | G684 | I682-G684 PolarHBondContact O-N 2.87Š| ||
| 683 | T | 29.7 | Very low | 35.9 | Very low | 136 Ų | 136 | 114.8 Ų | 114.8 | 83% | 0.834 | 67% | 0.665 | S | S | * | * | trans | -78.1 | 111.9 | 177.5 | 40.1 | 0 | 0 | 0 | 0 | 110.9 | R685 | T683-R685 PolarHBondContact O-N 2.66Š| ||
| 684 | G | 29.3 | Very low | 36.1 | Very low | 72 Ų | 72 | 111.7 Ų | 111.7 | 74% | 0.742 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 117.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I682 | I682-G684 PolarHBondContact O-N 2.87Š|
| 685 | R | 33.1 | Very low | 36 | Very low | 224 Ų | 224 | 113.3 Ų | 113.3 | 85% | 0.845 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 120.7 | 168.8 | -74.8 | -180 | 172.2 | 165 | -1.5 | 110.3 | T683 | T683-R685 PolarHBondContact O-N 2.66Š|
| 686 | I | 35.4 | Very low | 36.5 | Very low | 90 Ų | 90 | 113 Ų | 113 | 46% | 0.462 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -79.7 | 116.7 | 168.9 | -64 | 176.7 | 0 | 0 | 0 | 108.2 | I672 Y688 | I672-I686 HydrophobicContact CD1-CG2 4.16Å; I672-I686 HydrophobicContact CG1-CG2 4.12Å; I672-I686 HydrophobicContact CG2-CG2 3.98Å; I686-Y688 HydrophobicContact CG2-CD2 4.24Å; I686-Y688 HydrophobicContact CG2-CE1 4.39Å; I686-Y688 HydrophobicContact CG2-CE2 3.75Å |
| 687 | I | 42.4 | Very low | 36.9 | Very low | 83 Ų | 83 | 114.3 Ų | 114.3 | 43% | 0.426 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 118.1 | 174.7 | -55.3 | 179.4 | 0 | 0 | 0 | 108.7 | L673 V689 | L673-I687 PolarHBondContact N-O 2.84Å; I687-V689 HydrophobicContact CG2-CG2 3.91Å |
| 688 | Y | 38.8 | Very low | 36.9 | Very low | 88 Ų | 88 | 118.4 Ų | 118.4 | 35% | 0.345 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 117.3 | 171.6 | -63.5 | -88.2 | 0 | 0 | 0 | 109.3 | L666 I672 I686 Y697 | L666-Y688 HydrophobicContact CD2-CD1 3.92Å; L666-Y688 HydrophobicContact CD2-CE1 3.76Å; I672-Y688 HydrophobicContact CD1-CE1 3.93Å; I672-Y688 HydrophobicContact CG1-CD1 4.02Å; I672-Y688 HydrophobicContact CG1-CE1 3.92Å; I686-Y688 HydrophobicContact CG2-CD2 4.24Å; I686-Y688 HydrophobicContact CG2-CE1 4.39Å; I686-Y688 HydrophobicContact CG2-CE2 3.75Å; Y688-Y697 PolarHBondContact O-N 2.91Å |
| 689 | V | 48.1 | Very low | 36.8 | Very low | 31 Ų | 31 | 114.3 Ų | 114.3 | 19% | 0.188 | 63% | 0.63 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.4 | 179.3 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | A671 L673 I687 | A671-V689 PolarHBondContact N-O 3.13Å; A671-V689 PolarHBondContact O-N 3.25Å; L673-V689 HydrophobicContact CD1-CG2 4.26Å; I687-V689 HydrophobicContact CG2-CG2 3.91Å |
| 690 | D | 55.1 | Low | 36.7 | Very low | 30 Ų | 30 | 115 Ų | 115 | 16% | 0.16 | 63% | 0.634 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.5 | 124.4 | 171.5 | 176.9 | -83.3 | 0 | 0 | 0 | 110.7 | A692 T693 G694 Q695 Y697 | D690-A692 VanDerWaalsContact C-N 3.25Å; D690-A692 PolarHBondContact O-N 2.61Å; D690-A692 PolarHBondContact OD1-N 3.15Å; D690-T693 WeakPolarHBondContact CB-OG1 3.37Å; D690-T693 VanDerWaalsContact CG-OG1 3.24Å; D690-T693 WeakPolarHBondContact OD1-CB 3.34Å; D690-T693 PolarHBondContact OD1-N 3.41Å; D690-T693 PolarHBondContact OD1-OG1 2.71Å; D690-G694 WeakPolarHBondContact O-CA 3.23Å; D690-G694 PolarHBondContact O-N 2.82Å; D690-Q695 PolarHBondContact N-O 2.96Å; D690-Q695 VanDerWaalsContact N-O 3.08Å; D690-Y697 HydrophobicContact CB-CE2 4.13Å |
| 691 | R | 45.7 | Very low | 36.3 | Very low | 205 Ų | 205 | 116.7 Ų | 116.7 | 77% | 0.774 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -5.8 | -169.8 | -156.3 | 176.2 | -167.6 | 175.3 | 4.2 | 113.7 | G669 | G669-R691 WeakPolarHBondContact O-CB 3.35Å; G669-R691 PolarHBondContact O-N 3.23Å |
| 692 | A | 41.3 | Very low | 36.1 | Very low | 95 Ų | 95 | 115.6 Ų | 115.6 | 79% | 0.785 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -27.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | D690 | D690-A692 VanDerWaalsContact C-N 3.25Å; D690-A692 PolarHBondContact O-N 2.61Å; D690-A692 PolarHBondContact OD1-N 3.15Å |
| 693 | T | 47.8 | Very low | 35.9 | Very low | 94 Ų | 94 | 115.1 Ų | 115.1 | 58% | 0.577 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | -19.3 | -174 | 61.7 | 0 | 0 | 0 | 0 | 114 | D690 Q695 | D690-T693 WeakPolarHBondContact CB-OG1 3.37Å; D690-T693 VanDerWaalsContact CG-OG1 3.24Å; D690-T693 WeakPolarHBondContact OD1-CB 3.34Å; D690-T693 PolarHBondContact OD1-N 3.41Å; D690-T693 PolarHBondContact OD1-OG1 2.71Å; T693-Q695 PolarHBondContact O-N 2.86Å |
| 694 | G | 39.5 | Very low | 35.9 | Very low | 59 Ų | 59 | 113.1 Ų | 113.1 | 61% | 0.608 | 63% | 0.63 | S | S | * | * | trans | 69.8 | 10.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D690 | D690-G694 WeakPolarHBondContact O-CA 3.23Å; D690-G694 PolarHBondContact O-N 2.82Å | ||
| 695 | Q | 36.3 | Very low | 35.8 | Very low | 144 Ų | 144 | 115.9 Ų | 115.9 | 67% | 0.673 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 138.5 | 174 | -64.6 | -161.7 | -7 | 0 | 0 | 110.9 | D690 T693 | D690-Q695 PolarHBondContact N-O 2.96Å; D690-Q695 VanDerWaalsContact N-O 3.08Å; T693-Q695 PolarHBondContact O-N 2.86Å |
| 696 | S | 41.8 | Very low | 35.4 | Very low | 78 Ų | 78 | 108.4 Ų | 108.4 | 55% | 0.545 | 63% | 0.632 | S | S | . | * | B | Isolated β-bridge | trans | -78.2 | 134.3 | 163.6 | 45.5 | 0 | 0 | 0 | 0 | 109.5 | ||
| 697 | Y | 36.1 | Very low | 35 | Very low | 156 Ų | 156 | 112.6 Ų | 112.6 | 61% | 0.612 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 149.9 | 165.7 | -76.9 | -83.2 | 0 | 0 | 0 | 109.9 | Y688 D690 | Y688-Y697 PolarHBondContact O-N 2.91Å; D690-Y697 HydrophobicContact CB-CE2 4.13Å |
| 698 | I | 28 | Very low | 34.1 | Very low | 148 Ų | 148 | 116 Ų | 116 | 76% | 0.759 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 131.9 | -178.9 | -61.1 | 173.4 | 0 | 0 | 0 | 109.2 | V700 | I698-V700 PolarHBondContact O-N 3.34Š|
| 699 | P | 26.8 | Very low | 33.6 | Very low | 115 Ų | 115 | 118.5 Ų | 118.5 | 75% | 0.747 | 69% | 0.692 | S | S | * | * | trans | -68.2 | 96.6 | -176 | 27.4 | -35.1 | 0 | 0 | 0 | 111 | L701 | P699-L701 PolarHBondContact O-N 3.07Š| ||
| 700 | V | 25.6 | Very low | 32.5 | Very low | 123 Ų | 123 | 125 Ų | 125 | 75% | 0.745 | 72% | 0.72 | S | S | * | * | trans | -68.3 | 119.6 | 168.9 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | I698 T702 | I698-V700 PolarHBondContact O-N 3.34Å; V700-T702 PolarHBondContact O-N 3.08Å | ||
| 701 | L | 23.5 | Very low | 31 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | trans | -66.3 | 110.2 | 174.1 | -71.6 | 166 | 0 | 0 | 0 | 110 | P699 | P699-L701 PolarHBondContact O-N 3.07Š| ||
| 702 | T | 25 | Very low | 30 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | trans | -104.5 | 80.1 | 170.4 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | V700 | V700-T702 PolarHBondContact O-N 3.08Š| ||
| 703 | N | 24.6 | Very low | 29.1 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -79.6 | 152.4 | 163.3 | -91 | 2.7 | 0 | 0 | 0 | 110.4 | ||||
| 704 | A | 29.7 | Very low | 28 | Very low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | 61.9 | 114.6 | 163 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 705 | S | 26.4 | Very low | 27.3 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | S | Bend | -92.6 | 146.1 | 102 | 58.2 | 0 | 0 | 0 | 0 | 108.5 | |||
| 706 | G | 26 | Very low | 26.9 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | 177 | 112.7 | -11.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 707 | N | 26.4 | Very low | 26.1 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 95% | 0.947 | 79% | 0.787 | S | S | * | * | trans | -144.1 | 125.3 | 163 | -130.5 | -13 | 0 | 0 | 0 | 108 | ||||
| 708 | L | 23.3 | Very low | 25.9 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | -108.7 | 121.7 | -168.4 | -175.9 | 81 | 0 | 0 | 0 | 109.3 | ||||
| 709 | N | 27.7 | Very low | 25.7 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -164.7 | 126.9 | 147.1 | -100.7 | -32.5 | 0 | 0 | 0 | 113.1 | ||||
| 710 | Q | 26.5 | Very low | 25.6 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | 54.8 | 124.3 | 142.3 | -64.6 | -172.7 | -13.8 | 0 | 0 | 122.6 | ||||
| 711 | V | 23.7 | Very low | 25.6 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | 68.6 | 140 | 123.1 | 173.1 | 0 | 0 | 0 | 0 | 119 | |||||
| 712 | T | 25 | Very low | 25.6 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | cis | -164.1 | 170 | -19.1 | -86.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 713 | L | 21.9 | Very low | 25.6 | Very low | 171 Ų | 171 | 140 Ų | 140 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | -55.8 | 151.6 | -179 | -66.5 | 73.4 | 0 | 0 | 0 | 115 | ||||
| 714 | G | 23.8 | Very low | 25.8 | Very low | 71 Ų | 71 | 138.9 Ų | 138.9 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -173.4 | 28.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 715 | N | 26 | Very low | 25.6 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 61.6 | 159.9 | 162 | -69.5 | -7.8 | 0 | 0 | 0 | 123.3 | ||||
| 716 | H | 27.5 | Very low | 25.6 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | trans | 86.2 | 152.6 | 163.4 | -62.2 | -65.8 | 0 | 0 | 0 | 121.5 | ||||
| 717 | I | 25 | Very low | 25.7 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 80% | 0.795 | 79% | 0.794 | S | S | * | * | trans | -168.2 | 151.7 | -137.8 | -60.3 | 176.2 | 0 | 0 | 0 | 106.8 | ||||
| 718 | P | 32.4 | Very low | 25.7 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | cis | -143 | -163.4 | -26.6 | 44.1 | -25.1 | 0 | 0 | 0 | 116.1 | ||||
| 719 | L | 23.2 | Very low | 25.9 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | 92.1 | 115.1 | 141.9 | -83.3 | 172.4 | 0 | 0 | 0 | 125.1 | ||||
| 720 | A | 24.8 | Very low | 25.9 | Very low | 87 Ų | 87 | 145.2 Ų | 145.2 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | trans | 65.8 | 168.9 | 139.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 721 | I | 24.8 | Very low | 25.8 | Very low | 154 Ų | 154 | 143 Ų | 143 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | cis | -143.6 | 150.2 | 17.5 | -65.8 | 172.7 | 0 | 0 | 0 | 107.4 | ||||
| 722 | R | 25 | Very low | 26 | Very low | 238 Ų | 238 | 142.8 Ų | 142.8 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | 179.9 | 160.9 | 83.9 | -153.4 | 159.2 | -162.4 | -179.1 | 5 | 115.4 | |||||
| 723 | Q | 23.8 | Very low | 26.1 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | trans | -99.7 | 170.3 | 176.1 | -51.5 | 158.3 | -46.9 | 0 | 0 | 112.5 | ||||
| 724 | P | 29.9 | Very low | 26.5 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -97.8 | 154.1 | 147 | 36.2 | -29.5 | 0 | 0 | 0 | 112.5 | ||||
| 725 | Q | 24.2 | Very low | 26.7 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -141.3 | 136.6 | 170.6 | -87.1 | -165.3 | -19.4 | 0 | 0 | 111.7 | ||||
| 726 | F | 27.1 | Very low | 26.7 | Very low | 214 Ų | 214 | 146.9 Ų | 146.9 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | trans | -161.4 | 144.4 | 153 | -88.6 | -70.9 | 0 | 0 | 0 | 106.3 | ||||
| 727 | A | 28 | Very low | 26.8 | Very low | 87 Ų | 87 | 145.2 Ų | 145.2 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | cis | -149.6 | 159 | -7.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 728 | Q | 26.8 | Very low | 26.9 | Very low | 200 Ų | 200 | 143 Ų | 143 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | trans | -145.5 | 146.3 | 159 | -131.4 | 179 | 10.5 | 0 | 0 | 109.8 | ||||
| 729 | V | 26.3 | Very low | 27.2 | Very low | 146 Ų | 146 | 143 Ų | 143 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | -104.8 | 116.9 | -170.3 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 730 | A | 27.3 | Very low | 27.4 | Very low | 88 Ų | 88 | 142 Ų | 142 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -170.6 | 108.9 | 148.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 731 | S | 26.4 | Very low | 27.8 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | 29.8 | 97.9 | 142.5 | -47.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 732 | P | 27.9 | Very low | 27.8 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -84.9 | 146.2 | 152.3 | 35 | -30.8 | 0 | 0 | 0 | 111 | ||||
| 733 | S | 26.2 | Very low | 27.9 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -123.6 | 138.9 | 161.5 | 56.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 734 | T | 30.8 | Very low | 28.2 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -151.4 | 125.6 | 175.1 | -48.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 735 | H | 26.9 | Very low | 28.1 | Very low | 172 Ų | 172 | 138 Ų | 138 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | -80.5 | 134.2 | -178.1 | -90 | -99.7 | 0 | 0 | 0 | 112.2 | ||||
| 736 | M | 26.4 | Very low | 28.3 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 86% | 0.862 | 78% | 0.781 | S | S | * | * | trans | -136.4 | 125.1 | 138.6 | -66.7 | -65.1 | 157.4 | 0 | 0 | 103.5 | ||||
| 737 | T | 28.8 | Very low | 28.5 | Very low | 138 Ų | 138 | 132 Ų | 132 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | -146.6 | -175.4 | 65.3 | 42.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 738 | S | 27.2 | Very low | 28.5 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -110.3 | -170.3 | -174.3 | 61.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 739 | P | 38.9 | Very low | 28.7 | Very low | 103 Ų | 103 | 133 Ų | 133 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | -135.9 | 153.6 | -94.1 | 38.6 | -20.1 | 0 | 0 | 0 | 117.6 | |||||
| 740 | T | 27.4 | Very low | 28.9 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | 63.5 | 168.1 | 159.2 | 36.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 741 | P | 33.2 | Very low | 29 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | cis | -131.2 | 170 | 6.4 | 43 | -27.1 | 0 | 0 | 0 | 117.9 | ||||
| 742 | L | 25.1 | Very low | 29.3 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | 49.7 | 134.8 | 141.9 | -68.9 | 167 | 0 | 0 | 0 | 124.6 | ||||
| 743 | Q | 27.9 | Very low | 29.6 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | trans | 73.2 | 130.2 | 136.3 | -77.8 | 172.7 | -21.5 | 0 | 0 | 123.1 | ||||
| 744 | Q | 29.5 | Very low | 30 | Very low | 154 Ų | 154 | 130.1 Ų | 130.1 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | 67 | 154.4 | 138.9 | -69.4 | 177.9 | -34.5 | 0 | 0 | 119.7 | ||||
| 745 | Q | 27.3 | Very low | 29.9 | Very low | 126 Ų | 126 | 130 Ų | 130 | 59% | 0.589 | 74% | 0.744 | S | S | * | * | cis | -170.9 | 149.1 | -23.9 | 174.1 | 167.3 | -14.2 | 0 | 0 | 109.1 | ||||
| 746 | Q | 29.5 | Very low | 30 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | 65.1 | 121.7 | 170.6 | -77.4 | 147 | -8 | 0 | 0 | 116.1 | ||||
| 747 | A | 29.9 | Very low | 30.3 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | 81.5 | 147 | 74.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 748 | Q | 29.8 | Very low | 30.4 | Very low | 170 Ų | 170 | 127 Ų | 127 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | cis | -159 | 177.9 | 24 | -156.8 | 171.2 | 33.9 | 0 | 0 | 111.9 | ||||
| 749 | L | 29.8 | Very low | 30.5 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 72% | 0.723 | 73% | 0.731 | S | S | * | * | trans | 78.2 | 135 | 167.4 | -50.7 | 157.8 | 0 | 0 | 0 | 115.7 | ||||
| 750 | N | 30.3 | Very low | 30 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | cis | -156.6 | 151 | -6.7 | -127.6 | 3.9 | 0 | 0 | 0 | 114.4 | ||||
| 751 | C | 30.3 | Very low | 30.2 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 78% | 0.784 | 73% | 0.726 | S | S | * | * | trans | 27.7 | 144.9 | 145.7 | -62.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 752 | A | 32.4 | Very low | 30.1 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 79% | 0.793 | 73% | 0.725 | S | S | * | * | cis | -154.5 | 161.5 | -3.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 753 | G | 33.2 | Very low | 30.3 | Very low | 67 Ų | 67 | 127.2 Ų | 127.2 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | 100.5 | 155.1 | 60.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 754 | T | 35.1 | Very low | 30.4 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | cis | -161.8 | 153 | 4.2 | 50.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 755 | D | 29.7 | Very low | 30.4 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | cis | -167.4 | 156.3 | -15.5 | -92.1 | -26.9 | 0 | 0 | 0 | 110.3 | ||||
| 756 | E | 28.9 | Very low | 30.5 | Very low | 161 Ų | 161 | 126.8 Ų | 126.8 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | trans | 38.6 | 153.3 | 137.1 | -53.8 | -156.6 | 148.3 | 0 | 0 | 123.6 | ||||
| 757 | T | 32.5 | Very low | 30.5 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | -177 | 141.5 | 68.2 | 30.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 758 | I | 30.4 | Very low | 30.5 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | trans | 65.6 | 142.1 | 132.9 | -62 | 170.9 | 0 | 0 | 0 | 118.5 | ||||
| 759 | C | 28.6 | Very low | 30.3 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 78% | 0.784 | 72% | 0.722 | S | S | * | * | cis | -144 | -179.5 | 15.1 | -146.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 760 | S | 29.5 | Very low | 30.3 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 62% | 0.615 | 72% | 0.72 | S | S | * | * | trans | -73.3 | -169.1 | 178 | 60.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 761 | Q | 32.2 | Very low | 30 | Very low | 167 Ų | 167 | 122.3 Ų | 122.3 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | cis | -163.8 | 166 | 11 | -146.2 | 154.9 | 23.4 | 0 | 0 | 111.8 | ||||
| 762 | S | 30.8 | Very low | 29.8 | Very low | 97 Ų | 97 | 122.9 Ų | 122.9 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | trans | 57.4 | 150.1 | 152.3 | 55.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 763 | D | 29.4 | Very low | 29.6 | Very low | 134 Ų | 134 | 123.9 Ų | 123.9 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | cis | -158.6 | 161.1 | -12.2 | -118.4 | -29.8 | 0 | 0 | 0 | 114.3 | ||||
| 764 | N | 29.9 | Very low | 29.2 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 56% | 0.561 | 72% | 0.722 | S | S | * | * | trans | 54 | 116.3 | 152.9 | -66 | -45.9 | 0 | 0 | 0 | 121 | ||||
| 765 | Q | 28.1 | Very low | 28.9 | Very low | 166 Ų | 166 | 129 Ų | 129 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | 68.1 | 136.9 | 83.7 | -65.2 | -174.7 | 57.9 | 0 | 0 | 113.1 | |||||
| 766 | I | 29.8 | Very low | 28.7 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | -150.3 | 136.9 | 50.4 | -81.5 | 178.9 | 0 | 0 | 0 | 112.4 | |||||
| 767 | T | 29.2 | Very low | 29 | Very low | 117 Ų | 117 | 128 Ų | 128 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | trans | 34.9 | 114.5 | 137.4 | -44.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 768 | A | 30.1 | Very low | 28.6 | Very low | 82 Ų | 82 | 127.7 Ų | 127.7 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | 72.7 | 151.6 | 69.4 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 769 | Q | 26.7 | Very low | 28.4 | Very low | 167 Ų | 167 | 125.3 Ų | 125.3 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | cis | -165.8 | 172.1 | 0.1 | -131 | 176.3 | 9.7 | 0 | 0 | 111.9 | ||||
| 770 | I | 29.4 | Very low | 28.3 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 68% | 0.677 | 73% | 0.732 | S | S | * | * | trans | 68.8 | 98.3 | 148.6 | -66.9 | 164.3 | 0 | 0 | 0 | 120.5 | ||||
| 771 | S | 24.1 | Very low | 28.7 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | 69.9 | 147.8 | 115.1 | -50.8 | 0 | 0 | 0 | 0 | 126.4 | |||||
| 772 | T | 27 | Very low | 29.2 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | 85.6 | 112.8 | 145.9 | 38.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 773 | V | 27.1 | Very low | 29.2 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 70% | 0.703 | 74% | 0.737 | S | S | * | * | 94.1 | 108.3 | 126.9 | 170.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 774 | Q | 24.9 | Very low | 29.3 | Very low | 178 Ų | 178 | 126.5 Ų | 126.5 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | trans | 71.4 | 153.1 | 141.2 | -73.4 | 177.2 | 0.3 | 0 | 0 | 124.3 | ||||
| 775 | S | 28.6 | Very low | 29.4 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | trans | 87.6 | 128 | 161.4 | 74.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 776 | N | 26.2 | Very low | 29.7 | Very low | 159 Ų | 159 | 129.3 Ų | 129.3 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | trans | -91.1 | 170.9 | 155 | -77 | -37.5 | 0 | 0 | 0 | 107.7 | ||||
| 777 | P | 33.8 | Very low | 29.8 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | cis | -147.6 | 167.2 | 21.5 | 43.4 | -23.8 | 0 | 0 | 0 | 119.4 | ||||
| 778 | S | 24.9 | Very low | 30 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | 55.6 | 150.5 | 139.4 | 64.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 779 | S | 27 | Very low | 29.9 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | 83.7 | 132.5 | 163.3 | 66.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 780 | I | 26.8 | Very low | 29.9 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | cis | 101.8 | 138.3 | 24.1 | -74.2 | 166.6 | 0 | 0 | 0 | 112 | ||||
| 781 | P | 36.8 | Very low | 30.1 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -139.2 | -127.3 | -20.5 | 41.1 | -18.1 | 0 | 0 | 0 | 111.8 | ||||
| 782 | P | 43 | Very low | 30.2 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | cis | -127.2 | -153.6 | -45.8 | 41.4 | -23.5 | 0 | 0 | 0 | 114.6 | ||||
| 783 | D | 30.5 | Very low | 30.4 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 88 | 142.4 | 156.5 | -86.6 | 8.1 | 0 | 0 | 0 | 120.4 | ||||
| 784 | V | 31.8 | Very low | 30.5 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | cis | -143.8 | 135.8 | 15.2 | -175.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 785 | T | 32.9 | Very low | 30.9 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | 63.5 | 160.1 | 160.1 | 59 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 786 | R | 33.6 | Very low | 31 | Very low | 210 Ų | 210 | 141.5 Ų | 141.5 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | cis | -155.7 | 138.8 | 3.2 | -129.6 | 163.2 | -165 | 176.5 | 5.7 | 112.4 | ||||
| 787 | N | 31.9 | Very low | 31.2 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 55.4 | 146.1 | 148.9 | -64.2 | -2 | 0 | 0 | 0 | 122.1 | ||||
| 788 | I | 32.3 | Very low | 31.4 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | cis | -153.2 | 151.6 | -6 | -116.2 | 164 | 0 | 0 | 0 | 112.2 | ||||
| 789 | R | 29.7 | Very low | 31.7 | Very low | 215 Ų | 215 | 141.3 Ų | 141.3 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -5.3 | 133.5 | 165.6 | -59.8 | 168.4 | -175 | 162 | 0.9 | 118.8 | ||||
| 790 | T | 26.9 | Very low | 31.8 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | 76.1 | 114.3 | 51.5 | -52 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 791 | I | 33.2 | Very low | 32 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | trans | -173.3 | 143.5 | 139.2 | -96.8 | 153.8 | 0 | 0 | 0 | 108.1 | ||||
| 792 | G | 25.8 | Very low | 31.8 | Very low | 69 Ų | 69 | 140.1 Ų | 140.1 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -120.6 | 159.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 793 | R | 30.6 | Very low | 31.2 | Very low | 251 Ų | 251 | 144.8 Ų | 144.8 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | trans | -139.9 | 157.4 | 168.2 | -86.7 | -161.9 | 174 | -152 | -1.2 | 113.3 | ||||
| 794 | R | 29.2 | Very low | 31 | Very low | 241 Ų | 241 | 148.5 Ų | 148.5 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -77.8 | 167 | -176.6 | -92.5 | -179.1 | 175.2 | 177.3 | -1.3 | 113 | ||||
| 795 | P | 34.5 | Very low | 30.8 | Very low | 130 Ų | 130 | 155.2 Ų | 155.2 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | trans | -69.5 | 160.9 | -178.6 | 30.1 | -38 | 0 | 0 | 0 | 113.7 | ||||
| 796 | G | 30.2 | Very low | 30.4 | Very low | 69 Ų | 69 | 156.3 Ų | 156.3 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -133 | 150.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 797 | P | 30.1 | Very low | 30 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -82.4 | 169.6 | 178.8 | 34.8 | -36.1 | 0 | 0 | 0 | 113.3 | ||||
| 798 | P | 37.7 | Very low | 29.8 | Very low | 121 Ų | 121 | 153.1 Ų | 153.1 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | trans | -93.5 | 154 | -170 | 36.2 | -36 | 0 | 0 | 0 | 115.3 | ||||
| 799 | P | 31.7 | Very low | 29.4 | Very low | 119 Ų | 119 | 153.8 Ų | 153.8 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | -103.6 | 178.3 | 164.4 | 44.7 | -36.5 | 0 | 0 | 0 | 110.7 | ||||
| 800 | P | 29.4 | Very low | 29.3 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | -118.8 | 173.7 | -103.1 | 21.9 | 1.4 | 0 | 0 | 0 | 114.3 | |||||
| 801 | A | 29.5 | Very low | 29.2 | Very low | 98 Ų | 98 | 151.9 Ų | 151.9 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -90.9 | 153.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 802 | P | 33 | Very low | 28.9 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -128.6 | 121.4 | 146.6 | 34.1 | -22 | 0 | 0 | 0 | 113.4 | ||||
| 803 | E | 30.3 | Very low | 29 | Very low | 199 Ų | 199 | 153.3 Ų | 153.3 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | 21.1 | 160.4 | 150.4 | -55.2 | -162.6 | 128.8 | 0 | 0 | 125.4 | ||||
| 804 | R | 25.9 | Very low | 28.8 | Very low | 228 Ų | 228 | 148.5 Ų | 148.5 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -79 | 151 | -178.2 | -57.6 | 169.1 | 172.8 | 152.5 | -6.4 | 113.3 | ||||
| 805 | R | 27.9 | Very low | 28.7 | Very low | 250 Ų | 250 | 141.2 Ų | 141.2 | 94% | 0.943 | 78% | 0.78 | S | S | * | * | trans | -144.2 | 138.1 | 133.2 | -74.3 | -162.5 | 177.2 | 167.7 | 0.9 | 110.5 | ||||
| 806 | D | 25.3 | Very low | 28.5 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -98.9 | 157.9 | 176.7 | -84.9 | -64.9 | 0 | 0 | 0 | 112.5 | ||||
| 807 | S | 24.7 | Very low | 28.3 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | 61.6 | 114.6 | 161.6 | -60.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 808 | I | 27.7 | Very low | 28.4 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | -168.7 | 149.7 | 106.7 | -98.9 | 163.2 | 0 | 0 | 0 | 111.1 | |||||
| 809 | L | 24.2 | Very low | 27.9 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | -77.6 | 156.1 | 174.8 | -64.9 | 148.2 | 0 | 0 | 0 | 109.9 | ||||
| 810 | Q | 27 | Very low | 27.8 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | -173 | 149 | 69.6 | -84.2 | -170.5 | 37.6 | 0 | 0 | 113.9 | |||||
| 811 | K | 26.2 | Very low | 27.8 | Very low | 163 Ų | 163 | 148 Ų | 148 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | trans | 53.7 | 123.1 | 137.6 | -64.3 | 175.2 | -173.2 | 155.4 | 0 | 122 | ||||
| 812 | N | 26.4 | Very low | 27.8 | Very low | 135 Ų | 135 | 149.1 Ų | 149.1 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | 21.4 | 134.4 | 111.4 | -51.9 | 19.1 | 0 | 0 | 0 | 119.6 | |||||
| 813 | V | 27.3 | Very low | 27.4 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | -160.4 | 124.6 | 114.2 | 134.6 | 0 | 0 | 0 | 0 | 105 | |||||
| 814 | E | 26.2 | Very low | 27.5 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | 65.1 | 146 | 74.2 | -72.2 | -177.9 | -140.7 | 0 | 0 | 112.4 | |||||
| 815 | T | 27.6 | Very low | 27.6 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 53% | 0.534 | 75% | 0.746 | S | S | . | * | cis | -165.7 | 165.3 | -4.6 | -97 | 0 | 0 | 0 | 0 | 107.5 | N817 | T815-N817 WeakPolarHBondContact CG2-OD1 3.35Š| ||
| 816 | I | 29.3 | Very low | 27.6 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 82% | 0.815 | 73% | 0.729 | S | S | * | * | trans | 179.9 | 125.6 | 143.9 | -94.6 | 149.8 | 0 | 0 | 0 | 107 | ||||
| 817 | N | 26.9 | Very low | 27.7 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | cis | 103.9 | 115.2 | 29.9 | -83.5 | -1.5 | 0 | 0 | 0 | 112.7 | T815 | T815-N817 WeakPolarHBondContact CG2-OD1 3.35Š| ||
| 818 | Q | 31.4 | Very low | 28.4 | Very low | 190 Ų | 190 | 133.7 Ų | 133.7 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | trans | 167.5 | 144.1 | 146.3 | -95.5 | 169.2 | 10.7 | 0 | 0 | 108.7 | ||||
| 819 | S | 28.1 | Very low | 29 | Very low | 90 Ų | 90 | 130.6 Ų | 130.6 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | cis | -174.2 | 168.8 | -16.3 | 44.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 820 | C | 29 | Very low | 29.2 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | trans | 72.3 | 144.2 | 163.4 | -57.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 821 | I | 30.5 | Very low | 29.3 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 77% | 0.774 | 72% | 0.724 | S | S | * | * | cis | -166.5 | 164.4 | -14.4 | -152.4 | 158.6 | 0 | 0 | 0 | 105.8 | ||||
| 822 | T | 29.6 | Very low | 29.4 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | cis | -149.8 | 177.6 | 26.8 | -21.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 823 | E | 23.5 | Very low | 29.6 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | -111.4 | -170.8 | 162.2 | -103.5 | 178.3 | -160.7 | 0 | 0 | 109.5 | ||||
| 824 | P | 34 | Very low | 29.6 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | cis | -125 | -178 | 9 | 42.3 | -24 | 0 | 0 | 0 | 113.8 | ||||
| 825 | T | 27.8 | Very low | 29.5 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 63% | 0.632 | 74% | 0.741 | S | S | * | * | cis | 91.5 | 127.5 | 12.5 | -51.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 826 | S | 27.9 | Very low | 29.4 | Very low | 84 Ų | 84 | 138.1 Ų | 138.1 | 59% | 0.587 | 75% | 0.75 | S | S | * | * | cis | -176.3 | 167.4 | -21 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 827 | L | 27.4 | Very low | 29.1 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | 71.7 | 172.7 | 150.9 | -73.6 | 168.3 | 0 | 0 | 0 | 119.4 | ||||
| 828 | P | 39.7 | Very low | 29 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | cis | -134.1 | -145.7 | -32.9 | 38.9 | -18 | 0 | 0 | 0 | 110.9 | ||||
| 829 | P | 39.9 | Very low | 28.7 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | cis | -137.2 | 177 | -14.1 | 39.6 | -19.5 | 0 | 0 | 0 | 118.5 | ||||
| 830 | Q | 27.5 | Very low | 28.5 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | trans | 71.4 | 151.4 | 168.4 | -41.2 | -170.4 | -3.1 | 0 | 0 | 116 | ||||
| 831 | I | 30.3 | Very low | 28.4 | Very low | 137 Ų | 137 | 135 Ų | 135 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | cis | -135.8 | 132 | 12.2 | -70.5 | 173.6 | 0 | 0 | 0 | 111.7 | ||||
| 832 | Q | 26.9 | Very low | 28.2 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | trans | 52.8 | 162.6 | 153.4 | -67.7 | 178.5 | 0.8 | 0 | 0 | 123.2 | ||||
| 833 | P | 31.8 | Very low | 28.1 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | trans | -111.4 | -176.6 | -165.9 | 43.9 | -32.4 | 0 | 0 | 0 | 114.2 | ||||
| 834 | E | 25.8 | Very low | 28.4 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | -159.8 | -173.7 | 91.8 | -111.5 | -161.1 | 176.3 | 0 | 0 | 116.3 | |||||
| 835 | K | 25.3 | Very low | 28.1 | Very low | 176 Ų | 176 | 137 Ų | 137 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | -150.3 | 148.4 | -171.4 | -102.1 | -178.5 | -179.5 | 170.1 | 0 | 114.3 | ||||
| 836 | N | 24.8 | Very low | 28.2 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 60.4 | 108 | 144.8 | -64.2 | 4.9 | 0 | 0 | 0 | 121.2 | ||||
| 837 | S | 24.3 | Very low | 28.3 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | 35.7 | 123.8 | 127.2 | 66 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 838 | L | 24.6 | Very low | 28.4 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | 178.3 | -175.2 | 111.3 | -94.9 | 168.7 | 0 | 0 | 0 | 112.4 | |||||
| 839 | L | 23.6 | Very low | 28 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | -80.6 | 155.5 | -173.4 | -67.7 | 70.6 | 0 | 0 | 0 | 113.9 | ||||
| 840 | S | 25.6 | Very low | 27.5 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | 57.2 | 143.9 | 137.8 | 62.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 841 | S | 25 | Very low | 27.3 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | cis | 175.6 | 165.2 | -25.8 | 44.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 842 | V | 27.1 | Very low | 27.2 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | 72.7 | 122.6 | 161.9 | -146.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 843 | I | 28.3 | Very low | 27.3 | Very low | 140 Ų | 140 | 140 Ų | 140 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | 173.3 | 116.5 | 112.1 | -89.9 | 175.2 | 0 | 0 | 0 | 111.5 | |||||
| 844 | R | 28.5 | Very low | 26.9 | Very low | 209 Ų | 209 | 142.3 Ų | 142.3 | 79% | 0.789 | 76% | 0.756 | S | S | * | * | trans | 58.9 | 154.1 | 152.8 | -66.5 | -169.5 | 154.8 | 125.3 | 1.7 | 120 | ||||
| 845 | D | 27.7 | Very low | 26.9 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 59% | 0.588 | 75% | 0.75 | S | S | * | * | cis | -167.2 | 161.4 | -16.9 | -97.9 | -10.4 | 0 | 0 | 0 | 105.1 | ||||
| 846 | Q | 30.7 | Very low | 26.9 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | cis | -151.6 | -173.2 | -1.9 | -112.2 | 161.8 | 56.9 | 0 | 0 | 105.3 | ||||
| 847 | S | 29.2 | Very low | 27.1 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | cis | -130.7 | -151.3 | 9.8 | 55.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 848 | D | 29.7 | Very low | 27.4 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | cis | -152.3 | 137.8 | -0.1 | -121.1 | -43.7 | 0 | 0 | 0 | 108.8 | ||||
| 849 | S | 31.5 | Very low | 27.6 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 56.4 | 140.9 | 166.4 | 70.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 850 | Q | 28.7 | Very low | 27.8 | Very low | 195 Ų | 195 | 136.9 Ų | 136.9 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | cis | -158.3 | 166.3 | -20.8 | -141 | 171.4 | -6 | 0 | 0 | 108.1 | ||||
| 851 | G | 24.7 | Very low | 27.9 | Very low | 57 Ų | 57 | 138.3 Ų | 138.3 | 59% | 0.588 | 75% | 0.746 | S | S | * | * | trans | -150.8 | -161.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 852 | E | 28.7 | Very low | 28.2 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | trans | 72.3 | 150 | 177.1 | -59.1 | 166 | -175.1 | 0 | 0 | 113.5 | ||||
| 853 | E | 28.2 | Very low | 28.3 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | cis | -148.4 | -155 | -3.5 | -135 | 179.3 | -171.1 | 0 | 0 | 112.9 | ||||
| 854 | E | 23.7 | Very low | 28.3 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | trans | -92.9 | 177.4 | -162.9 | -59.5 | -172.5 | 140.5 | 0 | 0 | 117.3 | ||||
| 855 | T | 24.8 | Very low | 28.3 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | trans | 98.2 | 155 | 149.9 | 81 | 0 | 0 | 0 | 0 | 121 | ||||
| 856 | S | 26.5 | Very low | 28.3 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | trans | 83.8 | 110 | 147.6 | -50.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 857 | D | 27.7 | Very low | 27.9 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | trans | 58.2 | 140.3 | 131.2 | -63.3 | -22.1 | 0 | 0 | 0 | 125.3 | ||||
| 858 | S | 30.9 | Very low | 27.7 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 68.6 | 162.8 | 157.7 | 77.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 859 | H | 28.4 | Very low | 27.4 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | -180 | 126.6 | -58.8 | -118.7 | -19.2 | 0 | 0 | 0 | 106.9 | |||||
| 860 | Q | 28.6 | Very low | 27 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | 66.4 | 150.6 | 158.7 | -56.6 | 179.4 | 19.7 | 0 | 0 | 116 | ||||
| 861 | N | 28.1 | Very low | 27.1 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | cis | -139 | 159.7 | 3.1 | -96.2 | -43.8 | 0 | 0 | 0 | 107.2 | ||||
| 862 | S | 29.8 | Very low | 27.1 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | S | Bend | cis | -153.9 | 159.9 | 14.4 | -90.9 | 0 | 0 | 0 | 0 | 107.6 | ||
| 863 | Q | 29.4 | Very low | 26.9 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | cis | -159.9 | 142.7 | -0.1 | -118.8 | 172.1 | 23.3 | 0 | 0 | 109.6 | ||||
| 864 | N | 28.3 | Very low | 26.8 | Very low | 127 Ų | 127 | 141 Ų | 141 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | trans | 55.7 | 142.2 | 144.5 | -60.6 | -16.8 | 0 | 0 | 0 | 122 | ||||
| 865 | L | 28.4 | Very low | 26.8 | Very low | 143 Ų | 143 | 136 Ų | 136 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | cis | -158.6 | 161.1 | -12.4 | -120.1 | 168.1 | 0 | 0 | 0 | 111.4 | ||||
| 866 | K | 27.8 | Very low | 26.8 | Very low | 195 Ų | 195 | 136.7 Ų | 136.7 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | -39.9 | 162.4 | -171.8 | -76.2 | 175.9 | 172 | -177.9 | 0 | 121.7 | ||||
| 867 | E | 22.8 | Very low | 26.8 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -70.4 | 174.8 | 167.1 | -52.9 | 171.4 | 112.5 | 0 | 0 | 115.9 | ||||
| 868 | Q | 24.1 | Very low | 26.9 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | trans | 114 | 119.8 | 142.9 | -59.2 | -161.5 | 4 | 0 | 0 | 120.3 | ||||
| 869 | S | 23.5 | Very low | 26.6 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | 98.5 | 138.1 | 135.4 | 83 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 870 | H | 23.9 | Very low | 27.2 | Very low | 180 Ų | 180 | 129.1 Ų | 129.1 | 83% | 0.833 | 72% | 0.719 | S | S | * | * | trans | 56.5 | 133.9 | 159.8 | -69.1 | -68.8 | 0 | 0 | 0 | 123.6 | ||||
| 871 | P | 30.4 | Very low | 27.2 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | trans | -96.7 | -178.8 | 161 | 40 | -34.4 | 0 | 0 | 0 | 112.7 | ||||
| 872 | L | 24.4 | Very low | 27.2 | Very low | 174 Ų | 174 | 125.6 Ų | 125.6 | 91% | 0.911 | 72% | 0.722 | S | S | * | * | trans | 87.4 | 145.5 | -173.6 | -55.2 | 168.9 | 0 | 0 | 0 | 113.8 | ||||
| 873 | A | 26 | Very low | 27 | Very low | 80 Ų | 80 | 126.5 Ų | 126.5 | 66% | 0.661 | 72% | 0.719 | S | S | * | * | cis | -169.2 | 166.2 | -20.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 874 | M | 24.4 | Very low | 26.9 | Very low | 180 Ų | 180 | 123.9 Ų | 123.9 | 89% | 0.887 | 71% | 0.707 | S | S | * | * | trans | 67.3 | 147.8 | 176.4 | -57.3 | -86.7 | -80.9 | 0 | 0 | 115.1 | I876 | M874-I876 HydrophobicContact SD-CD1 4.45Š| ||
| 875 | G | 24.8 | Very low | 26.8 | Very low | 60 Ų | 60 | 121.7 Ų | 121.7 | 62% | 0.619 | 69% | 0.694 | S | S | * | * | cis | -158.5 | 155.2 | -5.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 876 | I | 25.8 | Very low | 26.6 | Very low | 134 Ų | 134 | 119.3 Ų | 119.3 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | 69.1 | 125.8 | 85.5 | -69.3 | 171.9 | 0 | 0 | 0 | 112.1 | M874 | M874-I876 HydrophobicContact SD-CD1 4.45Š| |||
| 877 | I | 25.8 | Very low | 26.4 | Very low | 94 Ų | 94 | 115.2 Ų | 115.2 | 48% | 0.482 | 69% | 0.691 | S | S | . | * | cis | -158.7 | 147.9 | -2.5 | -112.7 | 174.5 | 0 | 0 | 0 | 108.7 | S506 S507 | S506-I877 VanDerWaalsContact CA-O 3.23Å; S506-I877 WeakPolarHBondContact CA-O 3.38Å; S506-I877 VanDerWaalsContact CB-O 3.3Å; S506-I877 WeakPolarHBondContact CB-O 3.3Å; S507-I877 WeakPolarHBondContact OG-CG2 3.4Å | ||
| 878 | T | 28.8 | Very low | 26.5 | Very low | 77 Ų | 77 | 113.2 Ų | 113.2 | 47% | 0.472 | 69% | 0.694 | S | S | . | * | 177.9 | 142.6 | 124.5 | 39 | 0 | 0 | 0 | 0 | 113 | |||||
| 879 | G | 25.3 | Very low | 26.5 | Very low | 68 Ų | 68 | 113.3 Ų | 113.3 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | trans | -130.9 | -133.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 880 | P | 41 | Very low | 26.5 | Very low | 124 Ų | 124 | 114.1 Ų | 114.1 | 81% | 0.805 | 71% | 0.705 | S | S | * | * | cis | -145.4 | -147.2 | -15.7 | 43.6 | -22.9 | 0 | 0 | 0 | 112.9 | ||||
| 881 | S | 28.1 | Very low | 26.6 | Very low | 114 Ų | 114 | 112.9 Ų | 112.9 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | trans | 84.5 | 145.9 | 168 | 79.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 882 | S | 28.7 | Very low | 26.3 | Very low | 102 Ų | 102 | 112 Ų | 112 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | cis | -137.3 | 124.6 | 3.4 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 883 | L | 25.9 | Very low | 26.3 | Very low | 111 Ų | 111 | 108.7 Ų | 108.7 | 58% | 0.581 | 69% | 0.692 | S | S | * | * | 70.6 | 106.1 | 91 | -77.4 | 174.7 | 0 | 0 | 0 | 118.4 | I637 M639 | I637-L883 HydrophobicContact CD1-CB 4Å; I637-L883 HydrophobicContact CD1-CD2 4.35Å; M639-L883 HydrophobicContact CE-CD1 4.3Å | |||
| 884 | H | 26.2 | Very low | 26.4 | Very low | 100 Ų | 100 | 114.7 Ų | 114.7 | 46% | 0.463 | 70% | 0.698 | S | S | . | * | trans | -150.4 | 166.6 | 163.5 | -81.9 | 161.9 | 0 | 0 | 0 | 111.3 | R635 | R635-H884 HydrophobicContact CB-CB 4.14Å; R635-H884 PolarHBondContact O-CE1 2.91Å; R635-H884 PolarHBondContact O-ND1 3.35Å; R635-H884 PolarHBondContact O-NE2 2.84Å | ||
| 885 | L | 26.4 | Very low | 26.4 | Very low | 81 Ų | 81 | 113.2 Ų | 113.2 | 42% | 0.424 | 69% | 0.689 | S | S | . | * | trans | -118.4 | -162.5 | -176.4 | -42.4 | 176.3 | 0 | 0 | 0 | 110.7 | A636 I637 C638 | A636-L885 CarbonylContact O-C 3.53Å; A636-L885 WeakPolarHBondContact O-CA 3.28Å; A636-L885 VanDerWaalsContact O-CB 3.32Å; A636-L885 WeakPolarHBondContact O-CB 3.24Å; A636-L885 PolarHBondContact O-N 3.33Å; I637-L885 HydrophobicContact CD1-CD2 4.06Å; I637-L885 HydrophobicContact CD1-CG 4.24Å; I637-L885 HydrophobicContact CG1-CD1 4.15Å; I637-L885 HydrophobicContact CG1-CD2 4.33Å; I637-L885 HydrophobicContact CG1-CG 3.96Å; C638-L885 HydrophobicContact CB-CD1 4.47Å | ||
| 886 | A | 25.6 | Very low | 26.4 | Very low | 92 Ų | 92 | 120.5 Ų | 120.5 | 76% | 0.76 | 70% | 0.698 | S | S | * | * | cis | -142.2 | 161.3 | 15.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 887 | S | 22.6 | Very low | 26.4 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 76% | 0.762 | 71% | 0.707 | S | S | * | * | cis | 86.2 | 71.1 | 30 | -168.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 888 | C | 24.5 | Very low | 26.4 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 85% | 0.851 | 72% | 0.721 | S | S | * | * | trans | -166.1 | 88.6 | 143.9 | -118.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 889 | L | 24.3 | Very low | 26.3 | Very low | 166 Ų | 166 | 125 Ų | 125 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | trans | -179 | 105.6 | 151 | -106.3 | 169.6 | 0 | 0 | 0 | 109 | ||||
| 890 | S | 23.4 | Very low | 26.3 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | trans | -137 | 101.7 | 176.3 | -167.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 891 | L | 26.6 | Very low | 25.6 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | trans | -138.3 | 105.7 | 168.5 | -91.3 | 178.8 | 0 | 0 | 0 | 111.3 | ||||
| 892 | A | 24.9 | Very low | 25.5 | Very low | 88 Ų | 88 | 127.5 Ų | 127.5 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | 49.4 | 83.2 | 141.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 893 | T | 23.2 | Very low | 25.6 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | trans | -130.7 | 105.8 | 132.3 | 49.6 | 0 | 0 | 0 | 0 | 110.3 | R1246 | T893-R1246 HydrophobicContact CG2-CG 3.9Š| ||
| 894 | R | 27.5 | Very low | 25.7 | Very low | 207 Ų | 207 | 131.3 Ų | 131.3 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | -144.8 | 133.3 | 151.5 | -149.2 | 170.4 | -161.9 | 178.5 | 7.1 | 110.5 | ||||
| 895 | E | 24.3 | Very low | 25.8 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | trans | -75.5 | 166.3 | -173.8 | -31.3 | 109.4 | 134 | 0 | 0 | 110.9 | ||||
| 896 | R | 26.5 | Very low | 25.8 | Very low | 214 Ų | 214 | 133.3 Ų | 133.3 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | -176.6 | 137.5 | 105.1 | -95.9 | 161.1 | -171.5 | -157.5 | -2.1 | 113.7 | |||||
| 897 | S | 24.3 | Very low | 26 | Very low | 126 Ų | 126 | 134 Ų | 134 | 88% | 0.881 | 77% | 0.768 | S | S | * | * | trans | -136.7 | 139.5 | 151.4 | -61.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 898 | A | 27.4 | Very low | 26.3 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | cis | -147 | 171.6 | -8.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 899 | L | 26.8 | Very low | 26.4 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 93% | 0.927 | 76% | 0.756 | S | S | * | * | trans | -119.9 | 132.3 | 159.4 | -90 | 171.8 | 0 | 0 | 0 | 109.1 | ||||
| 900 | S | 24.5 | Very low | 26.7 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -78.9 | 128.5 | 174.6 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 901 | M | 26.7 | Very low | 27 | Very low | 184 Ų | 184 | 132.1 Ų | 132.1 | 91% | 0.906 | 74% | 0.743 | S | S | * | * | trans | -137.8 | 108 | 150.6 | -82.9 | -61.2 | -68.8 | 0 | 0 | 107.2 | ||||
| 902 | A | 26.5 | Very low | 27.2 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 60% | 0.595 | 74% | 0.736 | S | S | * | * | trans | -136.4 | 149.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 903 | N | 29.7 | Very low | 27.4 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | 69.5 | 139.6 | 169 | -67.7 | 8.9 | 0 | 0 | 0 | 115.3 | ||||
| 904 | L | 27.2 | Very low | 27.7 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | cis | -153.6 | 173.9 | -5.6 | -90 | 142.7 | 0 | 0 | 0 | 106.5 | ||||
| 905 | C | 29 | Very low | 27.8 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | cis | 177.3 | -174.7 | -35.8 | -154.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 906 | V | 26.6 | Very low | 28.1 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | 67.1 | 141.8 | 151 | 155.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 907 | D | 29.3 | Very low | 28.3 | Very low | 108 Ų | 108 | 127 Ų | 127 | 58% | 0.578 | 73% | 0.733 | S | S | * | * | cis | -173.4 | -166.1 | -18.9 | -114.9 | 17.6 | 0 | 0 | 0 | 105 | ||||
| 908 | R | 28.7 | Very low | 28.5 | Very low | 177 Ų | 177 | 127.8 Ų | 127.8 | 67% | 0.668 | 73% | 0.728 | S | S | * | * | cis | -166.3 | 159.5 | 4.8 | -128.8 | 168.2 | -160 | -56.9 | -37.3 | 115.1 | ||||
| 909 | D | 27.6 | Very low | 28.4 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | 57.1 | 162.6 | 142.4 | -63.6 | -21.2 | 0 | 0 | 0 | 124.8 | ||||
| 910 | G | 30.6 | Very low | 28.4 | Very low | 66 Ų | 66 | 128.3 Ų | 128.3 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | trans | 102.5 | 97 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 911 | S | 28.8 | Very low | 28.6 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | 74.6 | 142.8 | 50.5 | 106.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 912 | D | 31.3 | Very low | 28.5 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 65% | 0.647 | 71% | 0.708 | S | S | * | * | cis | -159.8 | 175.9 | 20.7 | -116.3 | -43.6 | 0 | 0 | 0 | 115 | ||||
| 913 | F | 28.8 | Very low | 28.6 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 65% | 0.649 | 72% | 0.716 | S | S | * | * | trans | 31 | 132.2 | 160 | -64.5 | -66.7 | 0 | 0 | 0 | 122.3 | K915 | F913-K915 HydrophobicContact CD1-CD 4.33Å; F913-K915 HydrophobicContact CD1-CG 4.5Å | ||
| 914 | D | 30.7 | Very low | 28.4 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | -158.7 | 156 | 59.2 | -90 | -38.1 | 0 | 0 | 0 | 110.9 | |||||
| 915 | K | 28 | Very low | 28.5 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | cis | 101.4 | 96.2 | 24.9 | -89.4 | -169.9 | 171.5 | -180 | 0 | 116.8 | F913 | F913-K915 HydrophobicContact CD1-CD 4.33Å; F913-K915 HydrophobicContact CD1-CG 4.5Å | ||
| 916 | V | 30.9 | Very low | 28.5 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 80% | 0.8 | 72% | 0.724 | S | S | * | * | trans | -169.1 | 109.8 | 142.4 | 171.2 | 0 | 0 | 0 | 0 | 103 | ||||
| 917 | S | 30.1 | Very low | 28.7 | Very low | 93 Ų | 93 | 132.9 Ų | 132.9 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | 70.7 | 147.5 | 59.4 | 94.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 918 | D | 29.7 | Very low | 28.8 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | cis | -120.9 | -164.2 | 17.6 | -63.2 | -43.7 | 0 | 0 | 0 | 114.6 | ||||
| 919 | T | 25.6 | Very low | 28.8 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -149.7 | -179.3 | -174 | -59.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 920 | E | 26.5 | Very low | 28.9 | Very low | 154 Ų | 154 | 136 Ų | 136 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | trans | 79.9 | 153.5 | 169.5 | -53.5 | -163.9 | 173.9 | 0 | 0 | 115.9 | ||||
| 921 | Q | 28.6 | Very low | 29.2 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | cis | -148.8 | 179 | 1.9 | -137 | 178.1 | 79.1 | 0 | 0 | 112.7 | ||||
| 922 | N | 24.7 | Very low | 29 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | trans | -31.2 | 145.5 | 178 | -55.1 | -50 | 0 | 0 | 0 | 119.5 | ||||
| 923 | E | 27.9 | Very low | 28.6 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | -172.2 | 156.7 | 98.2 | -95.5 | -145 | 132 | 0 | 0 | 115.6 | |||||
| 924 | L | 26.6 | Very low | 28.4 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | trans | 16.5 | 136.7 | 152.2 | -56.7 | 170.6 | 0 | 0 | 0 | 122 | ||||
| 925 | G | 28.1 | Very low | 28.2 | Very low | 71 Ų | 71 | 138.7 Ų | 138.7 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | trans | 150.1 | 73.3 | 144.9 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 926 | L | 28.5 | Very low | 28.1 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | 55.6 | 143.6 | 136.4 | -79.1 | 159.8 | 0 | 0 | 0 | 124.2 | ||||
| 927 | I | 31.1 | Very low | 28 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | trans | 70.3 | 124.5 | 153.8 | -63.7 | 157.3 | 0 | 0 | 0 | 116.9 | ||||
| 928 | H | 31.9 | Very low | 27.8 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | cis | -140.4 | 136.7 | -11.6 | -96.7 | -52.5 | 0 | 0 | 0 | 105.8 | ||||
| 929 | Q | 28.7 | Very low | 28 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | 63.2 | 131.4 | 62.6 | -65.4 | -173.3 | -13.7 | 0 | 0 | 115.1 | |||||
| 930 | Y | 29.2 | Very low | 28 | Very low | 200 Ų | 200 | 148.6 Ų | 148.6 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | cis | -149.4 | 154.7 | -7.7 | -107.4 | -56.1 | 0 | 0 | 0 | 110.9 | ||||
| 931 | P | 37.2 | Very low | 28.1 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | trans | -133.8 | -164.8 | -174.7 | 44.3 | -27.3 | 0 | 0 | 0 | 115.2 | ||||
| 932 | C | 24.3 | Very low | 27.9 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | 74.6 | 162 | 147.3 | -73.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 933 | I | 24.4 | Very low | 28 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | trans | -115.9 | 145.8 | 176.9 | -61.2 | 163.9 | 0 | 0 | 0 | 107 | ||||
| 934 | N | 24.3 | Very low | 27.8 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -154.4 | 178.8 | 160.9 | -115.5 | -20.1 | 0 | 0 | 0 | 111.6 | ||||
| 935 | S | 25.9 | Very low | 27.9 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | trans | -143.6 | 163.2 | -154.2 | 71.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 936 | L | 26.4 | Very low | 27.8 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | 74 | 104.6 | 148.4 | -77 | 164.1 | 0 | 0 | 0 | 123.1 | ||||
| 937 | H | 27.6 | Very low | 27.7 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -168.2 | 153.7 | 143.2 | -102.1 | 45.3 | 0 | 0 | 0 | 107 | ||||
| 938 | R | 25.8 | Very low | 27.4 | Very low | 214 Ų | 214 | 145.9 Ų | 145.9 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | cis | -148.8 | 178.3 | -15.7 | -111.9 | -173.6 | -161 | -138.4 | 4.9 | 108.4 | ||||
| 939 | P | 35.7 | Very low | 27.3 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | trans | -112.1 | 161.5 | -152.5 | 41.4 | -37.5 | 0 | 0 | 0 | 119.5 | ||||
| 940 | R | 25.6 | Very low | 27.3 | Very low | 235 Ų | 235 | 142.4 Ų | 142.4 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | trans | 33.5 | 129.8 | 147.6 | -65.8 | -179.9 | 172.9 | 178.7 | -2.7 | 121.1 | ||||
| 941 | L | 26.9 | Very low | 27.4 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | -175.1 | 150.5 | 99.2 | -94 | 171.7 | 0 | 0 | 0 | 114.7 | |||||
| 942 | L | 25.2 | Very low | 27.1 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | 22.2 | 148.3 | 154.9 | -67 | 170.9 | 0 | 0 | 0 | 126.8 | ||||
| 943 | T | 25.8 | Very low | 27.3 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | trans | 68 | 99.3 | 140.9 | 46.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 944 | S | 25.4 | Very low | 27.8 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 57.2 | 164.2 | 112 | 67.7 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 945 | V | 28.4 | Very low | 28.2 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | 86.6 | 107.7 | -176.5 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 946 | S | 25.8 | Very low | 28.7 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | 106.6 | 128.8 | 24.5 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 947 | A | 26.5 | Very low | 29 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | trans | 66.2 | 156.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 948 | R | 25.1 | Very low | 29.3 | Very low | 231 Ų | 231 | 136.4 Ų | 136.4 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | cis | -166.9 | -168 | -20.8 | -109 | 179.3 | 179.2 | 174.2 | -1.5 | 105.2 | ||||
| 949 | V | 29.5 | Very low | 29.7 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | trans | 81.4 | 130.7 | 152.8 | -170.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 950 | S | 29.3 | Very low | 29.6 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 53% | 0.531 | 74% | 0.738 | S | S | . | * | cis | -168.5 | 177.7 | -26.5 | 58.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 951 | D | 30 | Very low | 29.7 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | trans | 62.9 | 150.8 | 141.7 | -57.1 | -18.3 | 0 | 0 | 0 | 120.8 | ||||
| 952 | A | 32 | Very low | 29.7 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 60% | 0.595 | 73% | 0.728 | S | S | * | * | cis | -160.5 | 140 | -16 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 953 | D | 27 | Very low | 29.8 | Very low | 145 Ų | 145 | 128 Ų | 128 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | trans | 58.4 | -170.4 | 130.7 | -51.1 | -23.2 | 0 | 0 | 0 | 122.3 | ||||
| 954 | I | 35.9 | Very low | 29.8 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 82% | 0.815 | 73% | 0.732 | S | S | * | * | trans | 79 | 112 | -169.2 | -50.5 | 175.1 | 0 | 0 | 0 | 114.8 | ||||
| 955 | T | 33.2 | Very low | 30.2 | Very low | 108 Ų | 108 | 130 Ų | 130 | 66% | 0.663 | 73% | 0.732 | S | S | * | * | cis | -171.9 | -171.7 | -43.8 | 38.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 956 | D | 36.2 | Very low | 30.1 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | trans | 78.9 | 135.6 | 160.6 | -47.9 | 12.7 | 0 | 0 | 0 | 118.5 | ||||
| 957 | D | 32.1 | Very low | 30.3 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | cis | -159.8 | -175 | -45.5 | -132.8 | -43.1 | 0 | 0 | 0 | 112.2 | ||||
| 958 | D | 34.3 | Very low | 30.5 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | trans | 79.2 | 109.4 | 152.3 | -76.5 | -5.3 | 0 | 0 | 0 | 121.9 | ||||
| 959 | H | 34 | Very low | 30.9 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | 62.1 | 143 | 125.8 | -62.5 | -37.9 | 0 | 0 | 0 | 121.1 | |||||
| 960 | H | 32.9 | Very low | 31.1 | Very low | 163 Ų | 163 | 128 Ų | 128 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | cis | -171.9 | 171.6 | -11.3 | -120.9 | -11.8 | 0 | 0 | 0 | 108 | ||||
| 961 | S | 29.1 | Very low | 31.4 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | cis | -155.2 | -164.5 | -8.5 | -163.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 962 | I | 26.6 | Very low | 31.5 | Very low | 157 Ų | 157 | 134 Ų | 134 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | trans | -121 | 135.3 | -174.6 | -75.3 | 174.7 | 0 | 0 | 0 | 114 | ||||
| 963 | C | 26.9 | Very low | 31.7 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | 71.3 | 134.2 | 156.2 | -165.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 964 | S | 26.1 | Very low | 32 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | trans | 114.4 | 149.9 | 141.6 | -151.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 965 | Q | 33 | Very low | 31.8 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | 76.4 | 123.5 | 167.2 | -49.1 | -152.4 | 46.3 | 0 | 0 | 120.7 | ||||
| 966 | R | 26.5 | Very low | 31.8 | Very low | 223 Ų | 223 | 133.9 Ų | 133.9 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | trans | 36.7 | 139.3 | 130.7 | -64.9 | 179.1 | 174.1 | -164.7 | -1.4 | 120.2 | ||||
| 967 | S | 29.5 | Very low | 31.5 | Very low | 96 Ų | 96 | 131.4 Ų | 131.4 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | cis | 141.2 | 159.8 | -11.3 | 56.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 968 | S | 32.5 | Very low | 31.3 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | 83.9 | 147.2 | 179.8 | 88.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 969 | T | 32.9 | Very low | 31.1 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | cis | -129.3 | 170.9 | 4.5 | 61.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 970 | A | 33.8 | Very low | 30.7 | Very low | 75 Ų | 75 | 133.5 Ų | 133.5 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | cis | -152 | 145.2 | 9.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 971 | R | 34.3 | Very low | 30.6 | Very low | 241 Ų | 241 | 134.2 Ų | 134.2 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | trans | 55.3 | 135.7 | 148 | -62.8 | 171.5 | -177.3 | 174.7 | 0.8 | 118.6 | ||||
| 972 | S | 33.5 | Very low | 30.5 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | cis | -171.7 | 165.9 | 5.5 | -109.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 973 | V | 35.9 | Very low | 30.7 | Very low | 131 Ų | 131 | 137 Ų | 137 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | cis | -141.3 | -91.8 | -2.8 | 60 | 0 | 0 | 0 | 0 | 113 | ||||
| 974 | S | 32.8 | Very low | 30.8 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 55% | 0.552 | 73% | 0.727 | S | S | * | * | trans | -169.8 | -177.3 | -167 | 66.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 975 | N | 32.4 | Very low | 31.1 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | cis | -144.2 | 155.1 | 16.2 | -95.2 | -38.9 | 0 | 0 | 0 | 109.7 | ||||
| 976 | I | 32.2 | Very low | 31.1 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | 73.1 | 131.5 | 57.8 | -83.5 | 167.6 | 0 | 0 | 0 | 112.4 | |||||
| 977 | C | 30 | Very low | 31.2 | Very low | 88 Ų | 88 | 143.4 Ų | 143.4 | 60% | 0.595 | 73% | 0.73 | S | S | * | * | cis | -160.8 | 170.7 | 12.7 | -130.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 978 | R | 28.4 | Very low | 31.4 | Very low | 205 Ų | 205 | 145.3 Ų | 145.3 | 77% | 0.774 | 73% | 0.728 | S | S | * | * | trans | 22.3 | 162.9 | 138.1 | -67.6 | 174.5 | -176.1 | 156.7 | 0.5 | 122.7 | ||||
| 979 | H | 29.1 | Very low | 31.3 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | cis | -174.8 | 169.9 | -14.5 | -100.8 | -6.7 | 0 | 0 | 0 | 110.1 | ||||
| 980 | G | 27.1 | Very low | 31.2 | Very low | 64 Ų | 64 | 145.1 Ų | 145.1 | 66% | 0.66 | 71% | 0.714 | S | S | * | * | trans | 103.3 | 136.6 | 163 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 981 | H | 30.4 | Very low | 31.1 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 82% | 0.824 | 72% | 0.717 | S | S | * | * | 85.9 | 137.4 | 52.3 | -76.7 | -24 | 0 | 0 | 0 | 113.8 | |||||
| 982 | R | 27.3 | Very low | 30.9 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | cis | -173.3 | 160.2 | -14 | -147.8 | 177.1 | -178.5 | -161.1 | 5.9 | 110 | ||||
| 983 | H | 30.5 | Very low | 30.9 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 55% | 0.546 | 71% | 0.711 | S | S | . | * | trans | 68.6 | 122.5 | 164.5 | -64 | -71.2 | 0 | 0 | 0 | 120 | ||||
| 984 | H | 28.5 | Very low | 30.6 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 68% | 0.676 | 72% | 0.715 | S | S | * | * | 96.3 | 150.6 | 98.8 | -77.4 | -20.4 | 0 | 0 | 0 | 114.4 | |||||
| 985 | H | 32.9 | Very low | 30.5 | Very low | 148 Ų | 148 | 155.3 Ų | 155.3 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | cis | -146.8 | 159.2 | 9.4 | -94.1 | -55.7 | 0 | 0 | 0 | 112.2 | ||||
| 986 | R | 31.4 | Very low | 30.5 | Very low | 233 Ų | 233 | 157.6 Ų | 157.6 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | trans | 48.3 | 143.5 | 150.1 | -66.2 | 175.2 | 171.8 | 178.5 | -2.4 | 118.9 | ||||
| 987 | R | 30.3 | Very low | 30.4 | Very low | 209 Ų | 209 | 157.4 Ų | 157.4 | 79% | 0.789 | 74% | 0.741 | S | S | * | * | cis | -163.3 | 175.5 | 6.9 | -132 | -179.5 | 157.2 | 176.6 | -13 | 106.4 | ||||
| 988 | H | 32.1 | Very low | 30.3 | Very low | 136 Ų | 136 | 164.8 Ų | 164.8 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | cis | -146.7 | -62.4 | -1.6 | -161.6 | -22.5 | 0 | 0 | 0 | 115.1 | ||||
| 989 | S | 30.2 | Very low | 30.5 | Very low | 86 Ų | 86 | 161.1 Ų | 161.1 | 60% | 0.601 | 76% | 0.759 | S | S | * | * | trans | -160.9 | 160.6 | -162.8 | -79.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 990 | H | 32.4 | Very low | 30.5 | Very low | 158 Ų | 158 | 163.6 Ų | 163.6 | 73% | 0.731 | 76% | 0.761 | S | S | * | * | cis | -146.6 | 156.4 | 9.1 | -122.3 | -62.2 | 0 | 0 | 0 | 112 | ||||
| 991 | N | 31.8 | Very low | 30.4 | Very low | 127 Ų | 127 | 166.2 Ų | 166.2 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | trans | 62.8 | 126.2 | 153.7 | -67.3 | 0.3 | 0 | 0 | 0 | 122.7 | ||||
| 992 | H | 29.8 | Very low | 30.4 | Very low | 161 Ų | 161 | 167.9 Ų | 167.9 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | 30 | 122.1 | 134.4 | -71.8 | -79.1 | 0 | 0 | 0 | 119.2 | ||||
| 993 | N | 32.3 | Very low | 30.5 | Very low | 147 Ų | 147 | 163.7 Ų | 163.7 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | cis | -162 | 160.6 | 43.6 | -99.7 | -38.5 | 0 | 0 | 0 | 114.4 | ||||
| 994 | N | 29.6 | Very low | 30.3 | Very low | 165 Ų | 165 | 163.1 Ų | 163.1 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | -70.4 | 130.2 | 172 | -95.5 | -34.8 | 0 | 0 | 0 | 112.8 | ||||
| 995 | R | 31.6 | Very low | 30.4 | Very low | 248 Ų | 248 | 163.8 Ų | 163.8 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | -144.1 | 124.8 | 156.5 | -93.9 | -173.2 | 172 | 166.8 | -0.9 | 111.1 | ||||
| 996 | Q | 31.5 | Very low | 30.4 | Very low | 173 Ų | 173 | 160.5 Ų | 160.5 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | trans | -107.9 | 142.6 | 163.5 | -76.1 | -167.1 | 2.9 | 0 | 0 | 110.7 | ||||
| 997 | N | 31.9 | Very low | 30.1 | Very low | 142 Ų | 142 | 154.4 Ų | 154.4 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | 56 | 121.4 | 147.4 | -60.7 | -31.3 | 0 | 0 | 0 | 121.2 | ||||
| 998 | R | 27.3 | Very low | 30.3 | Very low | 242 Ų | 242 | 153.8 Ų | 153.8 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | trans | -66.2 | 162.9 | 154.4 | -66.6 | 176.1 | 169.3 | -179.8 | -5.3 | 110.9 | ||||
| 999 | P | 33.1 | Very low | 30.4 | Very low | 129 Ų | 129 | 154.1 Ų | 154.1 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | -134.1 | -168.7 | 114.6 | 38.9 | -30.1 | 0 | 0 | 0 | 114 | |||||
| 1000 | R | 27.7 | Very low | 30.2 | Very low | 231 Ų | 231 | 157.3 Ų | 157.3 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -87.6 | 147.9 | -165.5 | -66.3 | 173.1 | 173.9 | 145.4 | -4.7 | 114.7 | ||||
| 1001 | C | 25.6 | Very low | 30.1 | Very low | 119 Ų | 119 | 160.2 Ų | 160.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 20.2 | 114.4 | 142.3 | -46 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1002 | F | 31.2 | Very low | 29.9 | Very low | 212 Ų | 212 | 161 Ų | 161 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -133.6 | 157.8 | 139.7 | -100 | -83.4 | 0 | 0 | 0 | 109.2 | ||||
| 1003 | S | 29.7 | Very low | 29.8 | Very low | 108 Ų | 108 | 162 Ų | 162 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -76 | 159.9 | -170.5 | 44.6 | 0 | 0 | 0 | 0 | 114 | I1005 | S1003-I1005 PolarHBondContact O-N 2.84Š| ||
| 1004 | A | 26.1 | Very low | 29.5 | Very low | 106 Ų | 106 | 163 Ų | 163 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | -60.8 | 128.6 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1005 | I | 31 | Very low | 29.5 | Very low | 159 Ų | 159 | 158.4 Ų | 158.4 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | -120 | 137.6 | 161.8 | -64.4 | 178.2 | 0 | 0 | 0 | 106.9 | S1003 | S1003-I1005 PolarHBondContact O-N 2.84Š| ||
| 1006 | D | 31.3 | Very low | 29.4 | Very low | 79 Ų | 79 | 154.6 Ų | 154.6 | 42% | 0.422 | 80% | 0.796 | S | S | . | * | trans | -65.2 | 124.3 | -178.9 | -139.8 | -35.9 | 0 | 0 | 0 | 110.3 | Y1008 R1554 | D1006-Y1008 PolarHBondContact O-N 3.22Å; D1006-R1554 IonicContact OD2-CZ 2.63Å; D1006-R1554 IonicContact OD2-NH2 2.97Å; D1006-R1554 PolarHBondContact OD2-NH2 2.89Å | ||
| 1007 | P | 25.8 | Very low | 29.3 | Very low | 105 Ų | 105 | 154.7 Ų | 154.7 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -73.5 | 8.1 | -170.3 | 28.8 | -35.5 | 0 | 0 | 0 | 115.3 | ||
| 1008 | Y | 33.4 | Very low | 29.2 | Very low | 196 Ų | 196 | 153.1 Ų | 153.1 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -108.2 | 48.1 | -172.2 | -68.5 | -77.1 | 0 | 0 | 0 | 114.7 | D1006 | D1006-Y1008 PolarHBondContact O-N 3.22Š| ||
| 1009 | M | 34.2 | Very low | 29.2 | Very low | 143 Ų | 143 | 149.4 Ų | 149.4 | 70% | 0.704 | 80% | 0.795 | S | S | * | * | trans | -161.7 | 83.1 | 160.3 | -93 | -50.4 | 179.5 | 0 | 0 | 111.9 | ||||
| 1010 | I | 26.1 | Very low | 28.9 | Very low | 154 Ų | 154 | 151.2 Ų | 151.2 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -136.1 | 94.3 | 165.9 | -55.3 | -179.4 | 0 | 0 | 0 | 110.1 | ||||
| 1011 | Y | 30.6 | Very low | 28.9 | Very low | 218 Ų | 218 | 148.1 Ų | 148.1 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -150.9 | 139.7 | 149.1 | -97.7 | -71.1 | 0 | 0 | 0 | 110.4 | ||
| 1012 | N | 28.5 | Very low | 28.9 | Very low | 143 Ų | 143 | 149 Ų | 149 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | 52.7 | 71.7 | 166 | -62.6 | 3.6 | 0 | 0 | 0 | 118.6 | ||||
| 1013 | Q | 27.6 | Very low | 28.8 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -125.4 | 76.5 | 136 | -73.7 | -167.4 | 23.3 | 0 | 0 | 110.2 | ||||
| 1014 | N | 26.1 | Very low | 28.7 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -158.7 | 126.6 | 159.1 | -94.2 | -27 | 0 | 0 | 0 | 106.7 | ||||
| 1015 | G | 30.3 | Very low | 28.8 | Very low | 70 Ų | 70 | 150.9 Ų | 150.9 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 161.1 | 81.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1017 | G1015-E1017 PolarHBondContact O-N 3.25Š| ||
| 1016 | D | 27.7 | Very low | 28.6 | Very low | 167 Ų | 167 | 149.7 Ų | 149.7 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -73.4 | 107.1 | 168.9 | -69.4 | -55.6 | 0 | 0 | 0 | 109.2 | S1018 | D1016-S1018 PolarHBondContact O-N 3.08Š| ||
| 1017 | E | 30.6 | Very low | 28.4 | Very low | 176 Ų | 176 | 156 Ų | 156 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -75 | 113.7 | 167.6 | -68.8 | 176 | 127.5 | 0 | 0 | 108.8 | G1015 | G1015-E1017 PolarHBondContact O-N 3.25Š| ||
| 1018 | S | 28.6 | Very low | 28.4 | Very low | 109 Ų | 109 | 159.4 Ų | 159.4 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -119.4 | 136.5 | 168.7 | 49.4 | 0 | 0 | 0 | 0 | 109.8 | D1016 | D1016-S1018 PolarHBondContact O-N 3.08Š| ||
| 1019 | D | 27.1 | Very low | 28.3 | Very low | 164 Ų | 164 | 157 Ų | 157 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -65.6 | 137.4 | -171.6 | -59 | -80.1 | 0 | 0 | 0 | 112.9 | ||||
| 1020 | N | 28.6 | Very low | 27.8 | Very low | 166 Ų | 166 | 154.3 Ų | 154.3 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -157.9 | 144.9 | 138.2 | -112 | -29.8 | 0 | 0 | 0 | 112.2 | ||||
| 1021 | Q | 26.1 | Very low | 28 | Very low | 167 Ų | 167 | 158.2 Ų | 158.2 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | -114.1 | 166.7 | 175.2 | -72 | -174.4 | -37.8 | 0 | 0 | 110.8 | ||||
| 1022 | N | 27.2 | Very low | 27.8 | Very low | 137 Ų | 137 | 157 Ų | 157 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | 76.8 | 136 | 174.5 | -45.2 | -50.8 | 0 | 0 | 0 | 113.3 | ||||
| 1023 | Y | 28.5 | Very low | 27.8 | Very low | 223 Ų | 223 | 154 Ų | 154 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | cis | -128.9 | 161.1 | 39.3 | -109.4 | -98.2 | 0 | 0 | 0 | 116.5 | ||||
| 1024 | V | 27.3 | Very low | 28 | Very low | 106 Ų | 106 | 152.9 Ų | 152.9 | 64% | 0.642 | 80% | 0.8 | S | S | * | * | trans | -116.8 | 133.7 | 168.6 | 172.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1025 | N | 28.7 | Very low | 28.1 | Very low | 137 Ų | 137 | 152 Ų | 152 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -172.1 | 113.4 | 142.2 | -97 | -32.1 | 0 | 0 | 0 | 107.4 | ||||
| 1026 | N | 26.2 | Very low | 28.2 | Very low | 134 Ų | 134 | 157.5 Ų | 157.5 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | 71.2 | 103.5 | 80.8 | -77.1 | -29.6 | 0 | 0 | 0 | 113.6 | |||||
| 1027 | K | 27.8 | Very low | 28.4 | Very low | 210 Ų | 210 | 155.2 Ų | 155.2 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | trans | -143.4 | 136.2 | 130.3 | -107.5 | -171.1 | 175 | -167.8 | 0 | 108.8 | ||||
| 1028 | H | 26 | Very low | 28.4 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | trans | -113.5 | -155.8 | 171.4 | -135.7 | -23.2 | 0 | 0 | 0 | 107.9 | ||||
| 1029 | D | 29.7 | Very low | 28.9 | Very low | 145 Ų | 145 | 153.5 Ų | 153.5 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | 73 | 137.7 | 173.6 | -41 | -31.9 | 0 | 0 | 0 | 115.5 | ||||
| 1030 | S | 25.4 | Very low | 28.9 | Very low | 88 Ų | 88 | 154.8 Ų | 154.8 | 62% | 0.615 | 79% | 0.788 | S | S | * | * | cis | -175.2 | 154 | -30.2 | 43.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1031 | Y | 30.2 | Very low | 29.1 | Very low | 236 Ų | 236 | 150.5 Ų | 150.5 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | 179.3 | 163.7 | 136.8 | -90.9 | -56.3 | 0 | 0 | 0 | 110.2 | ||||
| 1032 | Q | 25.4 | Very low | 29.2 | Very low | 191 Ų | 191 | 148.9 Ų | 148.9 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -149.4 | -178.4 | -166.2 | -159 | 172.4 | -10 | 0 | 0 | 109 | ||||
| 1033 | A | 29.5 | Very low | 29.5 | Very low | 81 Ų | 81 | 150.8 Ų | 150.8 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | 74.3 | 145.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1034 | D | 31.5 | Very low | 29.4 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | cis | -153.5 | 173.6 | -7.4 | -106.3 | -14.1 | 0 | 0 | 0 | 111.9 | ||||
| 1035 | D | 27.8 | Very low | 29.4 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -77.2 | 153.8 | -175.8 | -78.1 | -58.2 | 0 | 0 | 0 | 116.3 | ||||
| 1036 | Q | 32.7 | Very low | 29.5 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | -178.1 | 114.6 | 120.6 | -100 | 171.9 | 59.1 | 0 | 0 | 116.8 | |||||
| 1037 | V | 31.3 | Very low | 29.5 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | 57 | 123.5 | 124.6 | -179.3 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1038 | N | 30.9 | Very low | 29.6 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | 84.3 | 155.7 | 151.8 | -85 | -7.7 | 0 | 0 | 0 | 122.4 | ||||
| 1039 | P | 39.2 | Very low | 29.6 | Very low | 96 Ų | 96 | 147.9 Ų | 147.9 | 62% | 0.623 | 80% | 0.797 | S | S | * | * | trans | -132.9 | -158.7 | -138.1 | 45.8 | -28.4 | 0 | 0 | 0 | 115.5 | ||||
| 1040 | H | 28 | Very low | 29.6 | Very low | 191 Ų | 191 | 152 Ų | 152 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | trans | 81.8 | 119.4 | -170.7 | -56.3 | -78.2 | 0 | 0 | 0 | 114.1 | ||||
| 1041 | G | 31.8 | Very low | 29.7 | Very low | 75 Ų | 75 | 158.6 Ų | 158.6 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | 165.9 | 80.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | H1043 | G1041-H1043 PolarHBondContact O-N 2.69Š| ||
| 1042 | V | 27.9 | Very low | 29.6 | Very low | 134 Ų | 134 | 153.2 Ų | 153.2 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -61.9 | 120.1 | 180 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1043 | H | 33.4 | Very low | 30.1 | Very low | 176 Ų | 176 | 147.4 Ų | 147.4 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | trans | -169.6 | 115.4 | 138.5 | -101.2 | -56.7 | 0 | 0 | 0 | 112.8 | G1041 | G1041-H1043 PolarHBondContact O-N 2.69Š| ||
| 1044 | S | 25.8 | Very low | 30.4 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -83.5 | 127.1 | 171.7 | 41.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1045 | K | 28.8 | Very low | 30.9 | Very low | 194 Ų | 194 | 150 Ų | 150 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | -127.4 | 129.6 | 163.8 | -78.7 | -179 | 177.2 | 173 | 0 | 109.1 | ||||
| 1046 | P | 29.1 | Very low | 32 | Very low | 130 Ų | 130 | 147 Ų | 147 | 84% | 0.844 | 75% | 0.752 | S | S | * | * | trans | -78.4 | 129.9 | -170 | 29.9 | -34.8 | 0 | 0 | 0 | 112.8 | T1048 | P1046-T1048 PolarHBondContact O-N 2.86Š| ||
| 1047 | Q | 27.4 | Very low | 33.2 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | trans | -75.2 | 105.1 | 174.5 | -75.2 | -175.4 | -15.1 | 0 | 0 | 112.2 | F1049 | Q1047-F1049 PolarHBondContact O-N 3.12Š| ||
| 1048 | T | 28.8 | Very low | 35 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 77% | 0.767 | 71% | 0.709 | S | S | * | * | trans | 47.9 | 56.7 | 139.3 | 56 | 0 | 0 | 0 | 0 | 119.1 | P1046 R1050 | P1046-T1048 PolarHBondContact O-N 2.86Å; T1048-R1050 PolarHBondContact O-N 2.87Å | ||
| 1049 | F | 27.3 | Very low | 37.3 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 82% | 0.816 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -66.8 | 3.4 | 169 | -117.5 | -87.9 | 0 | 0 | 0 | 115.4 | Q1047 R1051 | Q1047-F1049 PolarHBondContact O-N 3.12Å; F1049-R1051 PolarHBondContact O-N 2.97Å |
| 1050 | R | 29.9 | Very low | 39.5 | Very low | 231 Ų | 231 | 128.9 Ų | 128.9 | 87% | 0.872 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -79.5 | 3.7 | -166.8 | -74.4 | -171.1 | 176.5 | -178.7 | -0.4 | 116.8 | T1048 | T1048-R1050 PolarHBondContact O-N 2.87Š|
| 1051 | R | 26.6 | Very low | 42.3 | Very low | 227 Ų | 227 | 121.6 Ų | 121.6 | 86% | 0.857 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -107.1 | -19.5 | -178.6 | -74.7 | -172.2 | 178.2 | 173.8 | 0.9 | 116.2 | F1049 | F1049-R1051 PolarHBondContact O-N 2.97Š|
| 1052 | L | 27.4 | Very low | 45 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 64% | 0.639 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -34.5 | 178 | -84.3 | 84 | 0 | 0 | 0 | 113.7 | K1054 H1055 | L1052-K1054 PolarHBondContact O-N 3.2Å; L1052-K1054 VanDerWaalsContact O-N 3.16Å; L1052-H1055 PolarHBondContact O-N 2.83Å |
| 1053 | S | 37.7 | Very low | 47.9 | Very low | 70 Ų | 70 | 113.9 Ų | 113.9 | 49% | 0.49 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.4 | -24.4 | -172.3 | 58.9 | 0 | 0 | 0 | 0 | 114.7 | H1055 L1057 | S1053-H1055 PolarHBondContact O-N 3.48Å; S1053-L1057 WeakPolarHBondContact O-CD1 3.3Å |
| 1054 | K | 35.8 | Very low | 50.6 | Low | 151 Ų | 151 | 105.5 Ų | 105.5 | 66% | 0.657 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.3 | -29 | -174.2 | -155.2 | 174.2 | -175.5 | -178.2 | 0 | 113.3 | L1052 | L1052-K1054 PolarHBondContact O-N 3.2Å; L1052-K1054 VanDerWaalsContact O-N 3.16Å |
| 1055 | H | 40.2 | Very low | 53.7 | Low | 145 Ų | 145 | 101.8 Ų | 101.8 | 67% | 0.671 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -72.4 | -41.5 | 178.4 | -90.8 | -75 | 0 | 0 | 0 | 113.1 | L1052 S1053 L1057 D1058 E1059 | L1052-H1055 PolarHBondContact O-N 2.83Å; S1053-H1055 PolarHBondContact O-N 3.48Å; H1055-L1057 VanDerWaalsContact C-N 3.3Å; H1055-L1057 PolarHBondContact O-N 3.45Å; H1055-D1058 PolarHBondContact O-N 2.92Å; H1055-E1059 PolarHBondContact O-N 3.14Å |
| 1056 | H | 51.2 | Low | 56.7 | Low | 86 Ų | 86 | 93.7 Ų | 93.7 | 40% | 0.398 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.6 | -29.4 | -177 | -65.3 | -58.4 | 0 | 0 | 0 | 113.5 | E1059 A1060 | H1056-E1059 IonicContact ND1-OE2 3.87Å; H1056-A1060 PolarHBondContact O-N 3.13Å; H1056-A1060 VanDerWaalsContact O-N 3.12Å |
| 1057 | L | 58.9 | Low | 59.8 | Low | 62 Ų | 62 | 87.5 Ų | 87.5 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.4 | -33.6 | 175.1 | -91.3 | 75.1 | 0 | 0 | 0 | 112.8 | S1053 H1055 Y1061 Y1166 | S1053-L1057 WeakPolarHBondContact O-CD1 3.3Å; H1055-L1057 VanDerWaalsContact C-N 3.3Å; H1055-L1057 PolarHBondContact O-N 3.45Å; L1057-Y1061 WeakPolarHBondContact O-CB 3.44Å; L1057-Y1061 PolarHBondContact O-N 3.49Å; L1057-Y1166 HydrophobicContact CD2-CD2 4.32Å; L1057-Y1166 HydrophobicContact CD2-CG 4.42Å |
| 1058 | D | 69.6 | Low | 63.1 | Low | 63 Ų | 63 | 79.3 Ų | 79.3 | 34% | 0.337 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -71 | -36.1 | 176.1 | -89.2 | -10 | 0 | 0 | 0 | 111.8 | H1055 Y1061 H1062 Q1140 | H1055-D1058 PolarHBondContact O-N 2.92Å; D1058-Y1061 PolarHBondContact O-N 3.2Å; D1058-H1062 WeakPolarHBondContact O-CB 3.23Å; D1058-H1062 PolarHBondContact O-CD2 3.3Å; D1058-H1062 VanDerWaalsContact O-CD2 3.31Å; D1058-H1062 PolarHBondContact O-N 2.97Å; D1058-Q1140 PolarHBondContact OD1-NE2 2.9Å |
| 1059 | E | 79.4 | Confident | 66.2 | Low | 45 Ų | 45 | 74.4 Ų | 74.4 | 21% | 0.21 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 173 | -67.8 | -172.2 | 113.2 | 0 | 0 | 111.8 | H1055 H1056 H1062 L1063 Y1247 L1601 | H1055-E1059 PolarHBondContact O-N 3.14Å; H1056-E1059 IonicContact ND1-OE2 3.87Å; E1059-H1062 PolarHBondContact O-N 2.8Å; E1059-L1063 PolarHBondContact O-N 2.85Å; E1059-Y1247 HydrophobicContact CB-CD1 4.01Å; E1059-Y1247 HydrophobicContact CB-CE1 4.24Å; E1059-Y1247 HydrophobicContact CB-CG 4.29Å; E1059-Y1247 HydrophobicContact CG-CD1 4.43Å; E1059-Y1247 HydrophobicContact CG-CE1 4.38Å; E1059-Y1247 VanDerWaalsContact OE1-CE1 3.27Å; E1059-Y1247 WeakPolarHBondContact OE1-CE1 3.37Å; E1059-Y1247 WeakPolarHBondContact OE2-CD1 3.35Å; E1059-Y1247 WeakPolarHBondContact OE2-CE1 3.49Å; E1059-L1601 HydrophobicContact CG-CD1 3.78Å; E1059-L1601 HydrophobicContact CG-CD2 4.03Å |
| 1060 | A | 84.5 | Confident | 69.5 | Low | 2 Ų | 2 | 65.9 Ų | 65.9 | 2% | 0.017 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H1056 H1062 L1063 V1064 W1136 L1244 Y1248 | H1056-A1060 PolarHBondContact O-N 3.13Å; H1056-A1060 VanDerWaalsContact O-N 3.12Å; A1060-H1062 PolarHBondContact O-N 3.46Å; A1060-L1063 VanDerWaalsContact O-CB 3.26Å; A1060-L1063 WeakPolarHBondContact O-CB 3.43Å; A1060-L1063 PolarHBondContact O-N 3.28Å; A1060-L1063 VanDerWaalsContact O-N 3.16Å; A1060-V1064 WeakPolarHBondContact O-CG2 3.17Å; A1060-V1064 PolarHBondContact O-N 2.96Å; A1060-W1136 HydrophobicContact CB-CH2 4.27Å; A1060-W1136 HydrophobicContact CB-CZ2 4.33Å; A1060-L1244 HydrophobicContact CB-CD2 4.45Å; A1060-Y1248 HydrophobicContact CB-CE1 3.87Å |
| 1061 | Y | 86.8 | Confident | 72.7 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 15% | 0.145 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 175.1 | 173.4 | -105.5 | 0 | 0 | 0 | 112.2 | L1057 D1058 L1063 V1064 R1065 L1133 W1136 | L1057-Y1061 WeakPolarHBondContact O-CB 3.44Å; L1057-Y1061 PolarHBondContact O-N 3.49Å; D1058-Y1061 PolarHBondContact O-N 3.2Å; Y1061-L1063 VanDerWaalsContact C-N 3.3Å; Y1061-L1063 PolarHBondContact O-N 3.25Å; Y1061-V1064 PolarHBondContact O-N 2.87Å; Y1061-R1065 WeakPolarHBondContact O-CB 3.33Å; Y1061-R1065 PolarHBondContact O-N 3.22Å; Y1061-L1133 HydrophobicContact CD2-CD1 3.83Å; Y1061-L1133 HydrophobicContact CE2-CD1 3.39Å; Y1061-L1133 HydrophobicContact CE2-CG 4.4Å; Y1061-W1136 HydrophobicContact CD2-CB 4.43Å; Y1061-W1136 AromaticContact CD2-CD1 3.51Å; Y1061-W1136 HydrophobicContact CD2-CD2 4.15Å; Y1061-W1136 AromaticContact CD2-CG 3.8Å; Y1061-W1136 HydrophobicContact CD2-CG 3.8Å; Y1061-W1136 AromaticContact CD2-NE1 3.7Å; Y1061-W1136 HydrophobicContact CE2-CG 4.36Å |
| 1062 | H | 87.9 | Confident | 76 | Confident | 46 Ų | 46 | 46.8 Ų | 46.8 | 21% | 0.213 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.5 | -32 | 175.6 | -76.6 | -38.3 | 0 | 0 | 0 | 113.2 | D1058 E1059 A1060 R1065 E1066 | D1058-H1062 WeakPolarHBondContact O-CB 3.23Å; D1058-H1062 PolarHBondContact O-CD2 3.3Å; D1058-H1062 VanDerWaalsContact O-CD2 3.31Å; D1058-H1062 PolarHBondContact O-N 2.97Å; E1059-H1062 PolarHBondContact O-N 2.8Å; A1060-H1062 PolarHBondContact O-N 3.46Å; H1062-R1065 PolarHBondContact O-N 2.94Å; H1062-E1066 PolarHBondContact O-N 3.39Å |
| 1063 | L | 89.2 | Confident | 79.3 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -46.8 | 170.3 | -102.3 | 160.2 | 0 | 0 | 0 | 112.7 | E1059 A1060 Y1061 R1065 E1066 L1067 L1240 R1243 L1244 Y1247 R1605 | E1059-L1063 PolarHBondContact O-N 2.85Å; A1060-L1063 VanDerWaalsContact O-CB 3.26Å; A1060-L1063 WeakPolarHBondContact O-CB 3.43Å; A1060-L1063 PolarHBondContact O-N 3.28Å; A1060-L1063 VanDerWaalsContact O-N 3.16Å; Y1061-L1063 VanDerWaalsContact C-N 3.3Å; Y1061-L1063 PolarHBondContact O-N 3.25Å; L1063-R1065 VanDerWaalsContact C-N 3.3Å; L1063-R1065 PolarHBondContact O-N 3.49Å; L1063-E1066 WeakPolarHBondContact O-CB 3.35Å; L1063-E1066 PolarHBondContact O-N 3.39Å; L1063-L1067 PolarHBondContact O-N 3.06Å; L1063-L1240 HydrophobicContact CD2-CD1 4.4Å; L1063-L1240 HydrophobicContact CD2-CD2 4.05Å; L1063-L1240 HydrophobicContact CD2-CG 3.72Å; L1063-R1243 HydrophobicContact CD1-CB 4.05Å; L1063-R1243 HydrophobicContact CD2-CB 3.93Å; L1063-L1244 HydrophobicContact CB-CD2 3.85Å; L1063-L1244 HydrophobicContact CB-CG 4.41Å; L1063-L1244 HydrophobicContact CD1-CD2 3.89Å; L1063-L1244 HydrophobicContact CD1-CG 4.09Å; L1063-L1244 HydrophobicContact CD2-CG 4.49Å; L1063-L1244 HydrophobicContact CG-CD2 4.37Å; L1063-Y1247 HydrophobicContact CD1-CD2 3.57Å; L1063-Y1247 HydrophobicContact CD1-CE2 3.72Å; L1063-R1605 VanDerWaalsContact CD2-NH1 3.31Å; L1063-R1605 VanDerWaalsContact CD2-NH2 3.35Å; L1063-R1605 VanDerWaalsContact CG-NH2 3.29Å |
| 1064 | V | 90.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.5 | -32.4 | 176.8 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | A1060 Y1061 L1067 V1068 L1133 W1136 I1168 | A1060-V1064 WeakPolarHBondContact O-CG2 3.17Å; A1060-V1064 PolarHBondContact O-N 2.96Å; Y1061-V1064 PolarHBondContact O-N 2.87Å; V1064-L1067 WeakPolarHBondContact O-CB 3.5Å; V1064-L1067 PolarHBondContact O-N 2.98Å; V1064-V1068 PolarHBondContact O-N 3.39Å; V1064-V1068 VanDerWaalsContact O-N 3.09Å; V1064-L1133 HydrophobicContact CB-CD1 4.35Å; V1064-L1133 HydrophobicContact CG1-CB 4.45Å; V1064-L1133 HydrophobicContact CG1-CD1 4.06Å; V1064-W1136 HydrophobicContact CG2-CH2 4.44Å; V1064-W1136 HydrophobicContact CG2-CZ3 4.04Å; V1064-I1168 HydrophobicContact CG1-CD1 3.79Å; V1064-I1168 HydrophobicContact CG1-CG1 4.24Å; V1064-I1168 HydrophobicContact CG2-CB 4.04Å; V1064-I1168 HydrophobicContact CG2-CD1 4.38Å; V1064-I1168 HydrophobicContact CG2-CG1 4.02Å; V1064-I1168 HydrophobicContact CG2-CG2 4.06Å |
| 1065 | R | 91.2 | Very high | 85 | Confident | 38 Ų | 38 | 34.1 Ų | 34.1 | 14% | 0.143 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.6 | -40.9 | 171.2 | -168 | 177.1 | -172.2 | -110.5 | 5.4 | 112.1 | Y1061 H1062 L1063 M1069 L1133 E1598 | Y1061-R1065 WeakPolarHBondContact O-CB 3.33Å; Y1061-R1065 PolarHBondContact O-N 3.22Å; H1062-R1065 PolarHBondContact O-N 2.94Å; L1063-R1065 VanDerWaalsContact C-N 3.3Å; L1063-R1065 PolarHBondContact O-N 3.49Å; R1065-M1069 HydrophobicContact CG-CE 4.06Å; R1065-M1069 VanDerWaalsContact CZ-CE 3.48Å; R1065-M1069 WeakPolarHBondContact O-CB 2.95Å; R1065-M1069 VanDerWaalsContact O-CG 3.24Å; R1065-M1069 WeakPolarHBondContact O-CG 3.37Å; R1065-M1069 PolarHBondContact O-N 3.09Å; R1065-L1133 HydrophobicContact CB-CD1 4.37Å; R1065-L1133 HydrophobicContact CB-CD2 4.39Å; R1065-L1133 HydrophobicContact CG-CD2 4.42Å; R1065-E1598 IonicContact CZ-OE2 2.79Å; R1065-E1598 VanDerWaalsContact CZ-OE2 3.24Å; R1065-E1598 IonicContact NH1-OE2 3.92Å; R1065-E1598 PolarHBondContact NH1-OE2 2.71Å; R1065-E1598 IonicContact NH2-OE2 2.68Å; R1065-E1598 PolarHBondContact NH2-OE2 2.68Å |
| 1066 | E | 92 | Very high | 87.7 | Confident | 25 Ų | 25 | 28.6 Ų | 28.6 | 12% | 0.117 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.3 | -38.9 | 174.7 | -169 | -172.7 | 118.5 | 0 | 0 | 112.3 | H1062 L1063 M1069 T1070 R1605 Y1609 | H1062-E1066 PolarHBondContact O-N 3.39Å; L1063-E1066 WeakPolarHBondContact O-CB 3.35Å; L1063-E1066 PolarHBondContact O-N 3.39Å; E1066-M1069 PolarHBondContact O-N 2.83Å; E1066-T1070 PolarHBondContact O-N 3.39Å; E1066-T1070 PolarHBondContact O-OG1 3.16Å; E1066-R1605 IonicContact OE1-NH1 3.88Å; E1066-R1605 PolarHBondContact OE1-NH1 2.96Å; E1066-R1605 VanDerWaalsContact OE1-NH1 3.13Å; E1066-R1605 WeakPolarHBondContact OE2-CD 3.49Å; E1066-R1605 WeakPolarHBondContact OE2-CG 3.07Å; E1066-R1605 IonicContact OE2-CZ 3.48Å; E1066-R1605 IonicContact OE2-NE 2.87Å; E1066-R1605 IonicContact OE2-NH1 3.71Å; E1066-R1605 PolarHBondContact OE2-NH1 3.24Å; E1066-Y1609 VanDerWaalsContact OE1-CE2 3.25Å; E1066-Y1609 WeakPolarHBondContact OE1-CE2 3.27Å; E1066-Y1609 PolarHBondContact OE1-OH 2.97Å |
| 1067 | L | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.7 | -52.6 | 173.9 | 176.2 | 63.8 | 0 | 0 | 0 | 111.2 | L1063 V1064 M1069 T1070 E1071 F1129 I1168 F1172 R1233 Y1237 L1240 | L1063-L1067 PolarHBondContact O-N 3.06Å; V1064-L1067 WeakPolarHBondContact O-CB 3.5Å; V1064-L1067 PolarHBondContact O-N 2.98Å; L1067-M1069 PolarHBondContact O-N 2.87Å; L1067-T1070 PolarHBondContact O-N 3.11Å; L1067-T1070 PolarHBondContact O-OG1 3.34Å; L1067-E1071 VanDerWaalsContact O-CB 3.29Å; L1067-E1071 WeakPolarHBondContact O-CB 3.36Å; L1067-E1071 PolarHBondContact O-N 2.78Å; L1067-F1129 HydrophobicContact CD1-CD2 4.42Å; L1067-F1129 HydrophobicContact CD1-CE2 3.96Å; L1067-F1129 HydrophobicContact CD2-CD1 4.25Å; L1067-F1129 HydrophobicContact CD2-CD2 3.95Å; L1067-F1129 HydrophobicContact CD2-CE1 4.12Å; L1067-F1129 HydrophobicContact CD2-CE2 3.82Å; L1067-F1129 HydrophobicContact CD2-CG 4.17Å; L1067-F1129 HydrophobicContact CD2-CZ 3.91Å; L1067-F1129 HydrophobicContact CG-CD2 3.93Å; L1067-F1129 HydrophobicContact CG-CE2 3.91Å; L1067-F1129 HydrophobicContact CG-CZ 4.48Å; L1067-I1168 HydrophobicContact CD2-CD1 4.4Å; L1067-I1168 HydrophobicContact CD2-CG1 3.98Å; L1067-F1172 HydrophobicContact CD1-CZ 3.74Å; L1067-F1172 HydrophobicContact CD2-CE2 3.67Å; L1067-F1172 HydrophobicContact CD2-CZ 3.7Å; L1067-F1172 HydrophobicContact CG-CZ 4.39Å; L1067-R1233 PolarHBondContact O-NH2 2.84Å; L1067-R1233 VanDerWaalsContact O-NH2 3.15Å; L1067-Y1237 HydrophobicContact CD1-CD1 3.99Å; L1067-Y1237 HydrophobicContact CD1-CE1 3.72Å; L1067-L1240 HydrophobicContact CB-CD1 3.78Å; L1067-L1240 HydrophobicContact CB-CD2 4.22Å; L1067-L1240 HydrophobicContact CD1-CD1 4.04Å; L1067-L1240 HydrophobicContact CD1-CD2 4.3Å; L1067-L1240 HydrophobicContact CD2-CD2 4.46Å |
| 1068 | V | 95.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.024 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 176.1 | 168.1 | 0 | 0 | 0 | 0 | 111.7 | V1064 T1070 E1071 R1072 F1129 E1130 L1133 | V1064-V1068 PolarHBondContact O-N 3.39Å; V1064-V1068 VanDerWaalsContact O-N 3.09Å; V1068-T1070 PolarHBondContact O-N 3.33Å; V1068-E1071 PolarHBondContact O-N 3.08Å; V1068-R1072 WeakPolarHBondContact O-CG 3.42Å; V1068-R1072 PolarHBondContact O-N 3.29Å; V1068-F1129 HydrophobicContact CG2-CB 3.72Å; V1068-E1130 HydrophobicContact CG1-CG 3.68Å; V1068-E1130 HydrophobicContact CG2-CG 4.41Å; V1068-L1133 HydrophobicContact CB-CD2 4.09Å; V1068-L1133 HydrophobicContact CG1-CD2 4.32Å; V1068-L1133 HydrophobicContact CG2-CB 4.43Å; V1068-L1133 HydrophobicContact CG2-CD2 3.9Å |
| 1069 | M | 95.1 | Very high | 92.8 | Very high | 21 Ų | 21 | 19.6 Ų | 19.6 | 10% | 0.103 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.1 | -38.5 | -178.8 | -75.3 | -177.7 | 173.9 | 0 | 0 | 113.2 | R1065 E1066 L1067 T1073 S1522 G1523 Y1524 W1539 | R1065-M1069 HydrophobicContact CG-CE 4.06Å; R1065-M1069 VanDerWaalsContact CZ-CE 3.48Å; R1065-M1069 WeakPolarHBondContact O-CB 2.95Å; R1065-M1069 VanDerWaalsContact O-CG 3.24Å; R1065-M1069 WeakPolarHBondContact O-CG 3.37Å; R1065-M1069 PolarHBondContact O-N 3.09Å; E1066-M1069 PolarHBondContact O-N 2.83Å; L1067-M1069 PolarHBondContact O-N 2.87Å; M1069-T1073 PolarHBondContact O-OG1 2.75Å; M1069-S1522 VanDerWaalsContact CB-O 3.31Å; M1069-S1522 WeakPolarHBondContact CB-O 3.45Å; M1069-G1523 VanDerWaalsContact SD-CA 3.51Å; M1069-Y1524 HydrophobicContact CE-CD2 4.23Å; M1069-W1539 HydrophobicContact CB-CH2 3.62Å; M1069-W1539 HydrophobicContact CB-CZ3 4.14Å; M1069-W1539 HydrophobicContact CE-CZ3 4.45Å; M1069-W1539 HydrophobicContact CG-CH2 3.74Å; M1069-W1539 HydrophobicContact CG-CZ3 3.8Å; M1069-W1539 WeakPolarHBondContact O-CH2 3.3Å; M1069-W1539 WeakPolarHBondContact O-CZ2 3.33Å; M1069-W1539 HydrophobicContact SD-CZ3 4.16Å |
| 1070 | T | 96 | Very high | 93.4 | Very high | 8 Ų | 8 | 17.7 Ų | 17.7 | 5% | 0.049 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -72.8 | -36.2 | 174.1 | 49 | 0 | 0 | 0 | 0 | 111.8 | E1066 L1067 V1068 T1073 Y1074 R1233 | E1066-T1070 PolarHBondContact O-N 3.39Å; E1066-T1070 PolarHBondContact O-OG1 3.16Å; L1067-T1070 PolarHBondContact O-N 3.11Å; L1067-T1070 PolarHBondContact O-OG1 3.34Å; V1068-T1070 PolarHBondContact O-N 3.33Å; T1070-T1073 WeakPolarHBondContact O-CB 3.42Å; T1070-T1073 PolarHBondContact O-N 3.35Å; T1070-T1073 VanDerWaalsContact O-N 3.16Å; T1070-Y1074 PolarHBondContact O-N 3.45Å; T1070-R1233 PolarHBondContact OG1-NH1 3.09Å; T1070-R1233 PolarHBondContact OG1-NH2 2.93Å |
| 1071 | E | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64 | -44 | 178.5 | -167.3 | 56.3 | -138 | 0 | 0 | 112.7 | L1067 V1068 T1073 Y1074 K1075 H1122 L1126 R1233 Y1237 | L1067-E1071 VanDerWaalsContact O-CB 3.29Å; L1067-E1071 WeakPolarHBondContact O-CB 3.36Å; L1067-E1071 PolarHBondContact O-N 2.78Å; V1068-E1071 PolarHBondContact O-N 3.08Å; E1071-T1073 PolarHBondContact O-N 2.87Å; E1071-Y1074 PolarHBondContact O-N 3.11Å; E1071-K1075 PolarHBondContact O-N 3.05Å; E1071-H1122 IonicContact OE1-CE1 3.54Å; E1071-H1122 IonicContact OE1-CG 2.65Å; E1071-H1122 IonicContact OE1-ND1 2.66Å; E1071-H1122 PolarHBondContact OE1-ND1 2.8Å; E1071-H1122 IonicContact OE2-ND1 2.71Å; E1071-L1126 HydrophobicContact CB-CD1 3.81Å; E1071-L1126 HydrophobicContact CG-CB 3.83Å; E1071-L1126 HydrophobicContact CG-CD1 3.69Å; E1071-L1126 HydrophobicContact CG-CG 4.28Å; E1071-R1233 IonicContact OE2-CZ 2.79Å; E1071-R1233 IonicContact OE2-NE 2.72Å; E1071-R1233 PolarHBondContact OE2-NE 3.17Å; E1071-R1233 IonicContact OE2-NH2 3.84Å; E1071-R1233 PolarHBondContact OE2-NH2 3.03Å; E1071-Y1237 PolarHBondContact OE2-OH 2.79Å; E1071-Y1237 VanDerWaalsContact OE2-OH 3.07Å |
| 1072 | R | 97 | Very high | 94.1 | Very high | 57 Ų | 57 | 16.1 Ų | 16.1 | 22% | 0.215 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -51.4 | -39.9 | 172 | -74.8 | 170.8 | 170.4 | -164.9 | -4.4 | 112.6 | V1068 R1076 L1126 E1130 Y1553 | V1068-R1072 WeakPolarHBondContact O-CG 3.42Å; V1068-R1072 PolarHBondContact O-N 3.29Å; R1072-R1076 PolarHBondContact O-N 3Å; R1072-L1126 HydrophobicContact CG-CD1 3.89Å; R1072-L1126 HydrophobicContact CG-CD2 4.3Å; R1072-E1130 IonicContact CZ-OE1 3.77Å; R1072-E1130 IonicContact CZ-OE2 3.74Å; R1072-E1130 IonicContact NE-OE1 2.74Å; R1072-E1130 PolarHBondContact NE-OE1 3.24Å; R1072-E1130 IonicContact NH2-OE1 3.12Å; R1072-E1130 PolarHBondContact NH2-OE1 3.15Å; R1072-E1130 IonicContact NH2-OE2 2.68Å; R1072-E1130 PolarHBondContact NH2-OE2 3.13Å; R1072-Y1553 HydrophobicContact CG-CD2 4.31Å; R1072-Y1553 VanDerWaalsContact NH1-CZ 3.31Å |
| 1073 | T | 96.6 | Very high | 94.3 | Very high | 6 Ų | 6 | 16.1 Ų | 16.1 | 4% | 0.037 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -75.4 | -38.8 | 179.3 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | M1069 T1070 E1071 R1076 N1077 S1522 V1541 | M1069-T1073 PolarHBondContact O-OG1 2.75Å; T1070-T1073 WeakPolarHBondContact O-CB 3.42Å; T1070-T1073 PolarHBondContact O-N 3.35Å; T1070-T1073 VanDerWaalsContact O-N 3.16Å; E1071-T1073 PolarHBondContact O-N 2.87Å; T1073-R1076 PolarHBondContact O-N 3.04Å; T1073-N1077 PolarHBondContact O-N 3Å; T1073-N1077 PolarHBondContact O-ND2 3.46Å; T1073-N1077 PolarHBondContact O-OD1 3.34Å; T1073-S1522 VanDerWaalsContact OG1-CB 3.27Å; T1073-S1522 WeakPolarHBondContact OG1-CB 3.14Å; T1073-S1522 PolarHBondContact OG1-OG 2.9Å; T1073-V1541 HydrophobicContact CG2-CB 4.42Å; T1073-V1541 HydrophobicContact CG2-CG1 3.72Å; T1073-V1541 HydrophobicContact CG2-CG2 3.78Å |
| 1074 | Y | 97.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 17.7 Ų | 17.7 | 3% | 0.027 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.9 | -46.3 | 177.3 | 179.9 | -116.1 | 0 | 0 | 0 | 112.2 | T1070 E1071 R1076 N1077 L1078 H1122 Y1182 K1229 P1230 R1233 | T1070-Y1074 PolarHBondContact O-N 3.45Å; E1071-Y1074 PolarHBondContact O-N 3.11Å; Y1074-R1076 VanDerWaalsContact C-N 3.28Å; Y1074-R1076 PolarHBondContact O-N 2.83Å; Y1074-N1077 WeakPolarHBondContact O-CB 3.49Å; Y1074-N1077 PolarHBondContact O-N 3.06Å; Y1074-L1078 HydrophobicContact CD1-CD1 4.3Å; Y1074-L1078 HydrophobicContact CE1-CD1 3.67Å; Y1074-L1078 HydrophobicContact CE1-CG 4.27Å; Y1074-L1078 HydrophobicContact CE2-CD1 4.34Å; Y1074-L1078 HydrophobicContact CE2-CD2 4.06Å; Y1074-L1078 HydrophobicContact CE2-CG 4.08Å; Y1074-L1078 PolarHBondContact O-N 2.76Å; Y1074-H1122 AromaticContact CD1-CE1 3.88Å; Y1074-H1122 AromaticContact CD1-CG 3.99Å; Y1074-H1122 AromaticContact CD1-ND1 3.51Å; Y1074-H1122 HydrophobicContact CE1-CB 4.31Å; Y1074-H1122 AromaticContact CE1-CD2 3.8Å; Y1074-H1122 AromaticContact CE1-CE1 3.47Å; Y1074-H1122 VanDerWaalsContact CE1-CE1 3.47Å; Y1074-H1122 WeakPolarHBondContact CE1-CE1 3.47Å; Y1074-H1122 AromaticContact CE1-CG 3.59Å; Y1074-H1122 AromaticContact CE1-ND1 3.4Å; Y1074-H1122 WeakPolarHBondContact CE1-ND1 3.34Å; Y1074-H1122 AromaticContact CE1-NE2 3.73Å; Y1074-Y1182 PolarHBondContact OH-OH 3.15Å; Y1074-K1229 HydrophobicContact CD2-CB 4.4Å; Y1074-K1229 HydrophobicContact CE2-CB 4.07Å; Y1074-K1229 WeakPolarHBondContact CE2-O 3.43Å; Y1074-P1230 VanDerWaalsContact OH-CA 3.3Å; Y1074-P1230 WeakPolarHBondContact OH-CA 3.26Å; Y1074-R1233 HydrophobicContact CD1-CB 4.21Å; Y1074-R1233 HydrophobicContact CD1-CG 3.73Å; Y1074-R1233 HydrophobicContact CD2-CB 3.93Å; Y1074-R1233 HydrophobicContact CD2-CG 4.25Å; Y1074-R1233 HydrophobicContact CE1-CB 4.07Å; Y1074-R1233 HydrophobicContact CE1-CG 3.87Å; Y1074-R1233 HydrophobicContact CE2-CB 3.82Å; Y1074-R1233 HydrophobicContact CE2-CG 4.41Å; Y1074-R1233 HydrophobicContact CG-CB 4.13Å; Y1074-R1233 HydrophobicContact CG-CG 3.92Å |
| 1075 | K | 96.5 | Very high | 94.2 | Very high | 64 Ų | 64 | 18.2 Ų | 18.2 | 28% | 0.278 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -50.7 | -47.6 | 170.8 | 174.2 | 175.7 | 172.1 | 158.6 | 0 | 111.9 | E1071 N1077 L1078 S1079 Y1119 C1123 L1126 | E1071-K1075 PolarHBondContact O-N 3.05Å; K1075-N1077 PolarHBondContact O-N 2.93Å; K1075-L1078 PolarHBondContact O-N 2.81Å; K1075-S1079 PolarHBondContact O-N 2.89Å; K1075-Y1119 HydrophobicContact CG-CE2 3.91Å; K1075-C1123 WeakPolarHBondContact CE-SG 3.35Å; K1075-C1123 PolarHBondContact NZ-SG 2.96Å; K1075-L1126 HydrophobicContact CB-CD2 4.33Å; K1075-L1126 HydrophobicContact CD-CD2 3.67Å |
| 1076 | R | 95.1 | Very high | 94 | Very high | 28 Ų | 28 | 20 Ų | 20 | 11% | 0.106 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 178.9 | -169.5 | -175.4 | 62.1 | -173.6 | 1.5 | 111.8 | R1072 T1073 Y1074 L1078 S1079 V1080 Y1550 D1555 | R1072-R1076 PolarHBondContact O-N 3Å; T1073-R1076 PolarHBondContact O-N 3.04Å; Y1074-R1076 VanDerWaalsContact C-N 3.28Å; Y1074-R1076 PolarHBondContact O-N 2.83Å; R1076-L1078 VanDerWaalsContact C-N 3.31Å; R1076-L1078 PolarHBondContact O-N 2.99Å; R1076-S1079 WeakPolarHBondContact CA-OG 3.43Å; R1076-S1079 PolarHBondContact O-N 2.83Å; R1076-S1079 VanDerWaalsContact O-N 3.17Å; R1076-S1079 PolarHBondContact O-OG 2.86Å; R1076-V1080 PolarHBondContact O-N 3.42Å; R1076-Y1550 PolarHBondContact NH2-OH 2.91Å; R1076-D1555 PolarHBondContact NH1-O 2.78Å |
| 1077 | N | 95.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 22.4 Ų | 22.4 | 4% | 0.037 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.6 | -39.4 | 177 | -64.3 | -17.8 | 0 | 0 | 0 | 112.3 | T1073 Y1074 K1075 V1080 Y1220 F1226 K1229 | T1073-N1077 PolarHBondContact O-N 3Å; T1073-N1077 PolarHBondContact O-ND2 3.46Å; T1073-N1077 PolarHBondContact O-OD1 3.34Å; Y1074-N1077 WeakPolarHBondContact O-CB 3.49Å; Y1074-N1077 PolarHBondContact O-N 3.06Å; K1075-N1077 PolarHBondContact O-N 2.93Å; N1077-V1080 PolarHBondContact O-N 3.03Å; N1077-Y1220 WeakPolarHBondContact OD1-CE1 3.42Å; N1077-Y1220 PolarHBondContact OD1-OH 3.16Å; N1077-F1226 HydrophobicContact CB-CD1 4.11Å; N1077-F1226 HydrophobicContact CB-CE1 4.27Å; N1077-F1226 WeakPolarHBondContact O-CD1 3.48Å; N1077-K1229 HydrophobicContact CB-CG 4.24Å |
| 1078 | L | 96.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.6 | -41.3 | 174 | -65.5 | -179.1 | 0 | 0 | 0 | 112 | Y1074 K1075 R1076 V1080 I1081 C1082 L1115 I1118 Y1119 H1122 P1230 | Y1074-L1078 HydrophobicContact CD1-CD1 4.3Å; Y1074-L1078 HydrophobicContact CE1-CD1 3.67Å; Y1074-L1078 HydrophobicContact CE1-CG 4.27Å; Y1074-L1078 HydrophobicContact CE2-CD1 4.34Å; Y1074-L1078 HydrophobicContact CE2-CD2 4.06Å; Y1074-L1078 HydrophobicContact CE2-CG 4.08Å; Y1074-L1078 PolarHBondContact O-N 2.76Å; K1075-L1078 PolarHBondContact O-N 2.81Å; R1076-L1078 VanDerWaalsContact C-N 3.31Å; R1076-L1078 PolarHBondContact O-N 2.99Å; L1078-V1080 PolarHBondContact O-N 3.4Å; L1078-I1081 PolarHBondContact O-N 2.89Å; L1078-C1082 PolarHBondContact O-N 3.15Å; L1078-L1115 HydrophobicContact CD2-CD2 4.01Å; L1078-I1118 HydrophobicContact CD1-CG2 4.19Å; L1078-Y1119 HydrophobicContact CB-CD2 3.63Å; L1078-Y1119 HydrophobicContact CB-CE2 4.47Å; L1078-Y1119 HydrophobicContact CB-CG 4.28Å; L1078-Y1119 HydrophobicContact CD1-CD2 4.27Å; L1078-H1122 HydrophobicContact CD1-CB 4.48Å; L1078-P1230 HydrophobicContact CD2-CG 4.33Å |
| 1079 | S | 94.7 | Very high | 90.9 | Very high | 14 Ų | 14 | 24.7 Ų | 24.7 | 10% | 0.098 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63 | -20.6 | 178.4 | 69.3 | 0 | 0 | 0 | 0 | 114.4 | K1075 R1076 I1081 T1083 H1084 | K1075-S1079 PolarHBondContact O-N 2.89Å; R1076-S1079 WeakPolarHBondContact CA-OG 3.43Å; R1076-S1079 PolarHBondContact O-N 2.83Å; R1076-S1079 VanDerWaalsContact O-N 3.17Å; R1076-S1079 PolarHBondContact O-OG 2.86Å; S1079-I1081 PolarHBondContact O-N 3.46Å; S1079-T1083 PolarHBondContact O-N 2.76Å; S1079-T1083 PolarHBondContact O-OG1 3.11Å; S1079-H1084 PolarHBondContact O-N 3.01Å; S1079-H1084 VanDerWaalsContact O-N 3.14Å; S1079-H1084 PolarHBondContact O-ND1 2.87Å |
| 1080 | V | 93.5 | Very high | 89.4 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.024 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -59 | -36.7 | 171.2 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | R1076 N1077 L1078 H1084 F1085 F1213 Y1218 F1226 | R1076-V1080 PolarHBondContact O-N 3.42Å; N1077-V1080 PolarHBondContact O-N 3.03Å; L1078-V1080 PolarHBondContact O-N 3.4Å; V1080-H1084 WeakPolarHBondContact O-CB 3.46Å; V1080-F1085 PolarHBondContact O-N 2.83Å; V1080-F1213 HydrophobicContact CG1-CE1 3.95Å; V1080-F1213 HydrophobicContact CG1-CZ 3.69Å; V1080-F1213 WeakPolarHBondContact O-CZ 3.48Å; V1080-Y1218 HydrophobicContact CG1-CD2 4.49Å; V1080-F1226 HydrophobicContact CB-CD1 4.14Å; V1080-F1226 HydrophobicContact CB-CE1 4.01Å; V1080-F1226 HydrophobicContact CB-CZ 4.26Å; V1080-F1226 HydrophobicContact CG1-CD1 4.39Å; V1080-F1226 HydrophobicContact CG1-CD2 4.17Å; V1080-F1226 HydrophobicContact CG1-CE1 4.19Å; V1080-F1226 HydrophobicContact CG1-CE2 3.94Å; V1080-F1226 HydrophobicContact CG1-CG 4.4Å; V1080-F1226 HydrophobicContact CG1-CZ 3.95Å; V1080-F1226 HydrophobicContact CG2-CD1 4.38Å; V1080-F1226 HydrophobicContact CG2-CE1 3.8Å; V1080-F1226 HydrophobicContact CG2-CZ 4.05Å |
| 1081 | I | 92.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -91 | -52.7 | 173.8 | -59.5 | 173.1 | 0 | 0 | 0 | 110.8 | L1078 S1079 T1083 F1085 K1086 L1111 L1115 F1223 F1226 L1227 | L1078-I1081 PolarHBondContact O-N 2.89Å; S1079-I1081 PolarHBondContact O-N 3.46Å; I1081-T1083 VanDerWaalsContact C-N 3.27Å; I1081-T1083 PolarHBondContact O-N 2.9Å; I1081-F1085 HydrophobicContact CG2-CB 4.44Å; I1081-K1086 PolarHBondContact O-N 2.91Å; I1081-L1111 HydrophobicContact CG2-CB 4.28Å; I1081-L1115 HydrophobicContact CB-CD1 3.9Å; I1081-L1115 HydrophobicContact CD1-CD1 3.55Å; I1081-L1115 HydrophobicContact CG1-CD1 4.31Å; I1081-L1115 HydrophobicContact CG2-CD1 3.76Å; I1081-F1223 HydrophobicContact CG1-CE2 4.45Å; I1081-F1226 HydrophobicContact CD1-CB 3.7Å; I1081-F1226 HydrophobicContact CG1-CB 4.2Å; I1081-L1227 HydrophobicContact CD1-CD2 3.62Å; I1081-L1227 HydrophobicContact CD1-CG 4.41Å |
| 1082 | C | 93.4 | Very high | 85.1 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.034 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -66.3 | -21.6 | -170 | -61.9 | 0 | 0 | 0 | 0 | 114.9 | L1078 K1086 Y1119 | L1078-C1082 PolarHBondContact O-N 3.15Å; C1082-K1086 WeakPolarHBondContact O-CD 3.37Å; C1082-Y1119 HydrophobicContact CB-CD1 3.88Å; C1082-Y1119 HydrophobicContact CB-CE1 4.38Å; C1082-Y1119 HydrophobicContact CB-CG 4.1Å |
| 1083 | T | 90.6 | Very high | 82.7 | Confident | 47 Ų | 47 | 43.8 Ų | 43.8 | 29% | 0.288 | 22% | 0.224 | S | C | . | . | I | π-helix | trans | -118.1 | -60.3 | 172 | 69 | 0 | 0 | 0 | 0 | 111.8 | S1079 I1081 F1085 K1086 D1087 | S1079-T1083 PolarHBondContact O-N 2.76Å; S1079-T1083 PolarHBondContact O-OG1 3.11Å; I1081-T1083 VanDerWaalsContact C-N 3.27Å; I1081-T1083 PolarHBondContact O-N 2.9Å; T1083-F1085 PolarHBondContact O-N 2.95Å; T1083-K1086 WeakPolarHBondContact O-CB 3.26Å; T1083-K1086 PolarHBondContact O-N 2.72Å; T1083-K1086 VanDerWaalsContact O-N 3.15Å; T1083-D1087 PolarHBondContact O-N 2.85Å |
| 1084 | H | 89.5 | Confident | 80.5 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -66.6 | -46.6 | -168 | -56.3 | 70.7 | 0 | 0 | 0 | 112.9 | S1079 V1080 I1088 F1213 Y1218 | S1079-H1084 PolarHBondContact O-N 3.01Å; S1079-H1084 VanDerWaalsContact O-N 3.14Å; S1079-H1084 PolarHBondContact O-ND1 2.87Å; V1080-H1084 WeakPolarHBondContact O-CB 3.46Å; H1084-I1088 PolarHBondContact O-N 3.42Å; H1084-F1213 HydrophobicContact CB-CE2 4.38Å; H1084-Y1218 HydrophobicContact CB-CD2 4.11Å; H1084-Y1218 HydrophobicContact CB-CE2 3.64Å; H1084-Y1218 AromaticContact CD2-CD1 3.71Å; H1084-Y1218 AromaticContact CD2-CD2 3.71Å; H1084-Y1218 AromaticContact CD2-CE1 3.83Å; H1084-Y1218 AromaticContact CD2-CE2 3.85Å; H1084-Y1218 AromaticContact CD2-CG 3.64Å; H1084-Y1218 AromaticContact CD2-CZ 3.89Å |
| 1085 | F | 88.8 | Confident | 78.1 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 4% | 0.044 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -67.7 | -36.7 | 173.7 | -166.3 | -98.5 | 0 | 0 | 0 | 111.8 | V1080 I1081 T1083 D1087 I1088 L1111 L1210 F1213 F1223 | V1080-F1085 PolarHBondContact O-N 2.83Å; I1081-F1085 HydrophobicContact CG2-CB 4.44Å; T1083-F1085 PolarHBondContact O-N 2.95Å; F1085-D1087 VanDerWaalsContact C-N 3.32Å; F1085-D1087 PolarHBondContact O-N 2.87Å; F1085-I1088 PolarHBondContact O-N 2.88Å; F1085-L1111 HydrophobicContact CD1-CD1 4.14Å; F1085-L1111 HydrophobicContact CE1-CD1 3.58Å; F1085-L1111 HydrophobicContact CZ-CD1 4.24Å; F1085-L1210 HydrophobicContact CE2-CD2 4.08Å; F1085-L1210 HydrophobicContact CZ-CD2 4.4Å; F1085-F1213 HydrophobicContact CB-CE2 4.05Å; F1085-F1213 HydrophobicContact CB-CZ 3.84Å; F1085-F1213 HydrophobicContact CD2-CD1 4.02Å; F1085-F1213 HydrophobicContact CD2-CD2 4.04Å; F1085-F1213 AromaticContact CD2-CE1 3.99Å; F1085-F1213 HydrophobicContact CD2-CE1 3.99Å; F1085-F1213 AromaticContact CD2-CE2 3.96Å; F1085-F1213 HydrophobicContact CD2-CE2 3.96Å; F1085-F1213 HydrophobicContact CD2-CG 4.04Å; F1085-F1213 AromaticContact CD2-CZ 3.95Å; F1085-F1213 HydrophobicContact CD2-CZ 3.95Å; F1085-F1213 HydrophobicContact CG-CZ 4.39Å; F1085-F1223 HydrophobicContact CD2-CD2 4.48Å; F1085-F1223 AromaticContact CD2-CE2 3.75Å; F1085-F1223 HydrophobicContact CD2-CE2 3.75Å; F1085-F1223 HydrophobicContact CD2-CZ 4.47Å; F1085-F1223 AromaticContact CE2-CE2 3.79Å; F1085-F1223 HydrophobicContact CE2-CE2 3.79Å; F1085-F1223 HydrophobicContact CE2-CZ 4.17Å; F1085-F1223 HydrophobicContact CG-CE2 4.18Å; F1085-F1223 HydrophobicContact CZ-CE2 4.25Å; F1085-F1223 HydrophobicContact CZ-CZ 4.19Å |
| 1086 | K | 86 | Confident | 75.9 | Confident | 77 Ų | 77 | 52.5 Ų | 52.5 | 34% | 0.335 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 176.3 | -171.1 | 175.4 | -168.9 | 166.2 | 0 | 113.3 | I1081 C1082 T1083 T1108 V1112 | I1081-K1086 PolarHBondContact O-N 2.91Å; C1082-K1086 WeakPolarHBondContact O-CD 3.37Å; T1083-K1086 WeakPolarHBondContact O-CB 3.26Å; T1083-K1086 PolarHBondContact O-N 2.72Å; T1083-K1086 VanDerWaalsContact O-N 3.15Å; K1086-T1108 HydrophobicContact CB-CG2 4.44Å; K1086-T1108 HydrophobicContact CG-CG2 4.37Å; K1086-V1112 HydrophobicContact CB-CG2 3.82Å; K1086-V1112 HydrophobicContact CD-CG1 3.83Å; K1086-V1112 HydrophobicContact CD-CG2 4.05Å; K1086-V1112 HydrophobicContact CG-CG2 3.94Å |
| 1087 | D | 81.7 | Confident | 74 | Confident | 74 Ų | 74 | 53 Ų | 53 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -79.4 | -24.6 | -176.8 | -68 | -35.7 | 0 | 0 | 0 | 112.6 | T1083 F1085 G1089 K1090 D1091 | T1083-D1087 PolarHBondContact O-N 2.85Å; F1085-D1087 VanDerWaalsContact C-N 3.32Å; F1085-D1087 PolarHBondContact O-N 2.87Å; D1087-G1089 VanDerWaalsContact C-N 3.26Å; D1087-G1089 PolarHBondContact O-N 2.87Å; D1087-K1090 WeakPolarHBondContact O-CA 3.45Å; D1087-K1090 WeakPolarHBondContact O-CB 3.24Å; D1087-K1090 PolarHBondContact O-N 3.18Å; D1087-K1090 WeakPolarHBondContact OD1-CE 3.45Å; D1087-K1090 IonicContact OD1-NZ 3.44Å; D1087-K1090 PolarHBondContact OD1-NZ 3.11Å; D1087-D1091 PolarHBondContact O-N 3.19Å |
| 1088 | I | 74.2 | Confident | 72.2 | Confident | 30 Ų | 30 | 60.3 Ų | 60.3 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.9 | -29.8 | 172 | -74.7 | 168.2 | 0 | 0 | 0 | 112.5 | H1084 F1085 K1090 D1091 C1094 L1209 F1213 | H1084-I1088 PolarHBondContact O-N 3.42Å; F1085-I1088 PolarHBondContact O-N 2.88Å; I1088-K1090 PolarHBondContact O-N 2.98Å; I1088-K1090 VanDerWaalsContact O-N 3.1Å; I1088-D1091 PolarHBondContact O-N 3.37Å; I1088-C1094 PolarHBondContact O-SG 2.75Å; I1088-C1094 VanDerWaalsContact O-SG 3.38Å; I1088-L1209 HydrophobicContact CG2-CD1 3.89Å; I1088-F1213 HydrophobicContact CD1-CD2 3.35Å; I1088-F1213 HydrophobicContact CD1-CE2 3.72Å |
| 1089 | G | 61.3 | Low | 70.7 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 23% | 0.227 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -11.7 | 170 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1087 | D1087-G1089 VanDerWaalsContact C-N 3.26Å; D1087-G1089 PolarHBondContact O-N 2.87Å |
| 1090 | K | 63.9 | Low | 69.4 | Low | 140 Ų | 140 | 64.2 Ų | 64.2 | 61% | 0.609 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | -11.9 | 178.8 | -46.5 | 169.4 | -171.3 | 165.3 | 0 | 113.2 | D1087 I1088 | D1087-K1090 WeakPolarHBondContact O-CA 3.45Å; D1087-K1090 WeakPolarHBondContact O-CB 3.24Å; D1087-K1090 PolarHBondContact O-N 3.18Å; D1087-K1090 WeakPolarHBondContact OD1-CE 3.45Å; D1087-K1090 IonicContact OD1-NZ 3.44Å; D1087-K1090 PolarHBondContact OD1-NZ 3.11Å; I1088-K1090 PolarHBondContact O-N 2.98Å; I1088-K1090 VanDerWaalsContact O-N 3.1Å |
| 1091 | D | 56.7 | Low | 68.2 | Low | 84 Ų | 84 | 68.8 Ų | 68.8 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | trans | -87.7 | 140.6 | -163.2 | -158.4 | 2 | 0 | 0 | 0 | 111.8 | D1087 I1088 L1093 C1094 | D1087-D1091 PolarHBondContact O-N 3.19Å; I1088-D1091 PolarHBondContact O-N 3.37Å; D1091-L1093 PolarHBondContact O-N 3.11Å; D1091-C1094 PolarHBondContact O-N 2.8Å | ||
| 1092 | L | 45.1 | Very low | 67.1 | Low | 139 Ų | 139 | 76 Ų | 76 | 73% | 0.728 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -68.7 | -10.2 | -165.8 | -149.3 | 77.1 | 0 | 0 | 0 | 113.5 | C1094 S1095 | L1092-C1094 PolarHBondContact O-N 3.09Å; L1092-S1095 VanDerWaalsContact O-CB 3.29Å; L1092-S1095 WeakPolarHBondContact O-CB 3.48Å; L1092-S1095 PolarHBondContact O-N 2.77Å; L1092-S1095 VanDerWaalsContact O-N 3.11Å; L1092-S1095 PolarHBondContact O-OG 2.82Å |
| 1093 | L | 47.8 | Very low | 66 | Low | 125 Ų | 125 | 76.6 Ų | 76.6 | 65% | 0.654 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -62.2 | -27.1 | 171.4 | -65.3 | 175 | 0 | 0 | 0 | 112.6 | D1091 S1095 N1096 | D1091-L1093 PolarHBondContact O-N 3.11Å; L1093-S1095 PolarHBondContact O-N 2.74Å; L1093-N1096 PolarHBondContact O-N 2.97Å |
| 1094 | C | 50.3 | Low | 65.2 | Low | 26 Ų | 26 | 74.7 Ų | 74.7 | 18% | 0.176 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -69.5 | -11.9 | 175 | -68.7 | 0 | 0 | 0 | 0 | 113.1 | I1088 D1091 L1092 N1096 L1104 | I1088-C1094 PolarHBondContact O-SG 2.75Å; I1088-C1094 VanDerWaalsContact O-SG 3.38Å; D1091-C1094 PolarHBondContact O-N 2.8Å; L1092-C1094 PolarHBondContact O-N 3.09Å; C1094-N1096 VanDerWaalsContact C-N 3.27Å; C1094-N1096 PolarHBondContact O-N 3.46Å; C1094-L1104 HydrophobicContact CB-CD2 4.23Å |
| 1095 | S | 47.3 | Very low | 64.6 | Low | 88 Ų | 88 | 77.8 Ų | 77.8 | 62% | 0.615 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -70.5 | -20.3 | 171.9 | -55.2 | 0 | 0 | 0 | 0 | 113.8 | L1092 L1093 | L1092-S1095 VanDerWaalsContact O-CB 3.29Å; L1092-S1095 WeakPolarHBondContact O-CB 3.48Å; L1092-S1095 PolarHBondContact O-N 2.77Å; L1092-S1095 VanDerWaalsContact O-N 3.11Å; L1092-S1095 PolarHBondContact O-OG 2.82Å; L1093-S1095 PolarHBondContact O-N 2.74Å |
| 1096 | N | 48.5 | Very low | 64.2 | Low | 146 Ų | 146 | 80.9 Ų | 80.9 | 78% | 0.781 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -94.3 | -9.3 | -179.8 | -68.2 | -25.4 | 0 | 0 | 0 | 113.5 | L1093 C1094 | L1093-N1096 PolarHBondContact O-N 2.97Å; C1094-N1096 VanDerWaalsContact C-N 3.27Å; C1094-N1096 PolarHBondContact O-N 3.46Å |
| 1097 | L | 56.3 | Low | 64 | Low | 39 Ų | 39 | 78.2 Ų | 78.2 | 20% | 0.204 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -102.9 | 133.7 | 171.5 | -65.5 | 168.6 | 0 | 0 | 0 | 106.9 | I1099 Q1208 L1209 | L1097-I1099 HydrophobicContact CB-CD1 3.69Å; L1097-I1099 HydrophobicContact CB-CG1 3.91Å; L1097-I1099 HydrophobicContact CD1-CD1 3.94Å; L1097-I1099 HydrophobicContact CG-CD1 4.43Å; L1097-I1099 PolarHBondContact O-N 3.39Å; L1097-Q1208 HydrophobicContact CD2-CG 4.38Å; L1097-L1209 HydrophobicContact CD1-CD1 4.27Å |
| 1098 | N | 58.8 | Low | 64.1 | Low | 160 Ų | 160 | 74.8 Ų | 74.8 | 86% | 0.856 | 40% | 0.4 | S | S | * | . | trans | -78.4 | 41.7 | -173.6 | -153.9 | 17.2 | 0 | 0 | 0 | 112.9 | ||||
| 1099 | I | 63.5 | Low | 64.7 | Low | 18 Ų | 18 | 75 Ų | 75 | 9% | 0.092 | 40% | 0.404 | C | S | . | . | trans | -87.1 | 126.6 | -175 | -61.9 | 169.5 | 0 | 0 | 0 | 108.4 | L1097 P1101 L1104 E1205 L1209 | L1097-I1099 HydrophobicContact CB-CD1 3.69Å; L1097-I1099 HydrophobicContact CB-CG1 3.91Å; L1097-I1099 HydrophobicContact CD1-CD1 3.94Å; L1097-I1099 HydrophobicContact CG-CD1 4.43Å; L1097-I1099 PolarHBondContact O-N 3.39Å; I1099-P1101 VanDerWaalsContact O-CD 3.32Å; I1099-P1101 WeakPolarHBondContact O-CD 3.4Å; I1099-P1101 VanDerWaalsContact O-N 3.1Å; I1099-L1104 HydrophobicContact CG2-CB 4.02Å; I1099-E1205 HydrophobicContact CD1-CB 3.93Å; I1099-E1205 HydrophobicContact CG1-CB 3.46Å; I1099-E1205 VanDerWaalsContact CG1-CB 3.46Å; I1099-E1205 HydrophobicContact CG1-CG 4.32Å; I1099-L1209 HydrophobicContact CD1-CB 4.36Å; I1099-L1209 HydrophobicContact CD1-CD2 4.44Å | ||
| 1100 | N | 68 | Low | 65.9 | Low | 79 Ų | 79 | 77.6 Ų | 77.6 | 42% | 0.422 | 41% | 0.413 | S | S | . | . | trans | -59.1 | 116.1 | 168.5 | 178.6 | -21.2 | 0 | 0 | 0 | 109.1 | Q1102 L1103 L1104 | N1100-Q1102 PolarHBondContact O-N 3.39Å; N1100-Q1102 VanDerWaalsContact O-N 3.16Å; N1100-Q1102 VanDerWaalsContact OD1-CB 3.27Å; N1100-Q1102 WeakPolarHBondContact OD1-CB 3.41Å; N1100-Q1102 PolarHBondContact OD1-N 3.2Å; N1100-L1103 PolarHBondContact O-N 3.35Å; N1100-L1103 VanDerWaalsContact O-N 3.15Å; N1100-L1104 PolarHBondContact O-N 3Å | ||
| 1101 | P | 67.7 | Low | 67.1 | Low | 100 Ų | 100 | 71.2 Ų | 71.2 | 65% | 0.649 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.3 | -26 | -173.2 | 25.9 | -35.2 | 0 | 0 | 0 | 112.5 | I1099 L1104 Q1105 | I1099-P1101 VanDerWaalsContact O-CD 3.32Å; I1099-P1101 WeakPolarHBondContact O-CD 3.4Å; I1099-P1101 VanDerWaalsContact O-N 3.1Å; P1101-L1104 PolarHBondContact O-N 2.96Å; P1101-Q1105 VanDerWaalsContact O-CB 3.27Å; P1101-Q1105 WeakPolarHBondContact O-CB 3.04Å; P1101-Q1105 PolarHBondContact O-N 3.35Å |
| 1102 | Q | 69.5 | Low | 68.7 | Low | 152 Ų | 152 | 67.2 Ų | 67.2 | 71% | 0.71 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.1 | -38.7 | 179 | -163.8 | 169.5 | 1.7 | 0 | 0 | 111.9 | N1100 Q1105 E1106 | N1100-Q1102 PolarHBondContact O-N 3.39Å; N1100-Q1102 VanDerWaalsContact O-N 3.16Å; N1100-Q1102 VanDerWaalsContact OD1-CB 3.27Å; N1100-Q1102 WeakPolarHBondContact OD1-CB 3.41Å; N1100-Q1102 PolarHBondContact OD1-N 3.2Å; Q1102-Q1105 PolarHBondContact O-N 2.85Å; Q1102-E1106 WeakPolarHBondContact O-CB 3.41Å; Q1102-E1106 PolarHBondContact O-N 2.71Å |
| 1103 | L | 71.1 | Confident | 70.9 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 9% | 0.094 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -76 | -31.2 | 176.5 | -174.9 | 135.8 | 0 | 0 | 0 | 112.2 | N1100 L1107 L1199 I1206 | N1100-L1103 PolarHBondContact O-N 3.35Å; N1100-L1103 VanDerWaalsContact O-N 3.15Å; L1103-L1107 HydrophobicContact CD2-CD1 3.94Å; L1103-L1107 WeakPolarHBondContact O-CB 3.18Å; L1103-L1107 PolarHBondContact O-N 2.91Å; L1103-L1199 HydrophobicContact CD1-CD2 4.09Å; L1103-L1199 HydrophobicContact CD2-CD2 4.48Å; L1103-I1206 HydrophobicContact CD2-CD1 3.72Å |
| 1104 | L | 73.7 | Confident | 73 | Confident | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 169.1 | 177.1 | 56 | 0 | 0 | 0 | 111.1 | C1094 I1099 N1100 P1101 T1108 L1209 | C1094-L1104 HydrophobicContact CB-CD2 4.23Å; I1099-L1104 HydrophobicContact CG2-CB 4.02Å; N1100-L1104 PolarHBondContact O-N 3Å; P1101-L1104 PolarHBondContact O-N 2.96Å; L1104-T1108 VanDerWaalsContact O-CB 3.26Å; L1104-T1108 WeakPolarHBondContact O-CB 3.29Å; L1104-T1108 PolarHBondContact O-N 3.29Å; L1104-T1108 PolarHBondContact O-OG1 2.93Å; L1104-L1209 HydrophobicContact CD1-CD2 3.45Å; L1104-L1209 VanDerWaalsContact CD1-CD2 3.45Å; L1104-L1209 HydrophobicContact CD2-CD2 4.34Å |
| 1105 | Q | 76.7 | Confident | 75.1 | Confident | 98 Ų | 98 | 59.8 Ų | 59.8 | 46% | 0.458 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 177.5 | -176.1 | 56.8 | 87.9 | 0 | 0 | 111.8 | P1101 Q1102 T1108 S1109 | P1101-Q1105 VanDerWaalsContact O-CB 3.27Å; P1101-Q1105 WeakPolarHBondContact O-CB 3.04Å; P1101-Q1105 PolarHBondContact O-N 3.35Å; Q1102-Q1105 PolarHBondContact O-N 2.85Å; Q1105-T1108 PolarHBondContact O-N 3.01Å; Q1105-S1109 PolarHBondContact O-N 3.48Å; Q1105-S1109 PolarHBondContact O-OG 2.69Å |
| 1106 | E | 79.7 | Confident | 77.3 | Confident | 76 Ų | 76 | 58.3 Ų | 58.3 | 36% | 0.355 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.9 | -47.5 | 175.5 | -178.2 | -179.9 | -167.8 | 0 | 0 | 112.7 | Q1102 T1108 S1109 N1110 L1336 | Q1102-E1106 WeakPolarHBondContact O-CB 3.41Å; Q1102-E1106 PolarHBondContact O-N 2.71Å; E1106-T1108 PolarHBondContact O-N 2.77Å; E1106-S1109 WeakPolarHBondContact CA-OG 3.3Å; E1106-S1109 PolarHBondContact O-N 3Å; E1106-S1109 PolarHBondContact O-OG 3.45Å; E1106-N1110 WeakPolarHBondContact O-CB 3.19Å; E1106-N1110 PolarHBondContact O-N 3.12Å; E1106-N1110 PolarHBondContact O-ND2 2.85Å; E1106-L1336 VanDerWaalsContact OE1-CD1 3.31Å; E1106-L1336 WeakPolarHBondContact OE1-CD1 3.48Å; E1106-L1336 WeakPolarHBondContact OE2-CD1 3.47Å |
| 1107 | L | 82 | Confident | 79.5 | Confident | 20 Ų | 20 | 53.7 Ų | 53.7 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.1 | -41.2 | 171.9 | -87.4 | 174.2 | 0 | 0 | 0 | 111.8 | L1103 L1111 I1196 L1199 I1206 | L1103-L1107 HydrophobicContact CD2-CD1 3.94Å; L1103-L1107 WeakPolarHBondContact O-CB 3.18Å; L1103-L1107 PolarHBondContact O-N 2.91Å; L1107-L1111 PolarHBondContact O-N 2.88Å; L1107-I1196 HydrophobicContact CD2-CG1 3.83Å; L1107-L1199 HydrophobicContact CD1-CD1 4.19Å; L1107-L1199 HydrophobicContact CD2-CD1 3.66Å; L1107-L1199 HydrophobicContact CG-CD1 4.04Å; L1107-I1206 HydrophobicContact CD1-CD1 3.99Å; L1107-I1206 HydrophobicContact CD1-CG2 4.41Å |
| 1108 | T | 85.1 | Confident | 81.4 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.5 | -42.4 | -178.9 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | K1086 L1104 Q1105 E1106 V1112 | K1086-T1108 HydrophobicContact CB-CG2 4.44Å; K1086-T1108 HydrophobicContact CG-CG2 4.37Å; L1104-T1108 VanDerWaalsContact O-CB 3.26Å; L1104-T1108 WeakPolarHBondContact O-CB 3.29Å; L1104-T1108 PolarHBondContact O-N 3.29Å; L1104-T1108 PolarHBondContact O-OG1 2.93Å; Q1105-T1108 PolarHBondContact O-N 3.01Å; E1106-T1108 PolarHBondContact O-N 2.77Å; T1108-V1112 HydrophobicContact CG2-CG2 4.24Å; T1108-V1112 VanDerWaalsContact O-CB 3.24Å; T1108-V1112 WeakPolarHBondContact O-CB 3.29Å; T1108-V1112 WeakPolarHBondContact O-CG2 3.17Å; T1108-V1112 PolarHBondContact O-N 3.42Å |
| 1109 | S | 85.7 | Confident | 83.3 | Confident | 35 Ų | 35 | 46.3 Ų | 46.3 | 25% | 0.245 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -49.3 | 175.5 | 54 | 0 | 0 | 0 | 0 | 110.9 | Q1105 E1106 L1111 V1112 D1113 | Q1105-S1109 PolarHBondContact O-N 3.48Å; Q1105-S1109 PolarHBondContact O-OG 2.69Å; E1106-S1109 WeakPolarHBondContact CA-OG 3.3Å; E1106-S1109 PolarHBondContact O-N 3Å; E1106-S1109 PolarHBondContact O-OG 3.45Å; S1109-L1111 PolarHBondContact O-N 3.45Å; S1109-L1111 VanDerWaalsContact O-N 3.14Å; S1109-V1112 PolarHBondContact O-N 2.89Å; S1109-D1113 WeakPolarHBondContact CB-OD2 3.42Å; S1109-D1113 WeakPolarHBondContact O-CB 3.33Å; S1109-D1113 PolarHBondContact O-N 2.68Å |
| 1110 | N | 86.9 | Confident | 84.8 | Confident | 77 Ų | 77 | 48.3 Ų | 48.3 | 41% | 0.412 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.2 | -35.9 | -177.3 | -66.5 | -13 | 0 | 0 | 0 | 112.8 | E1106 L1114 I1192 | E1106-N1110 WeakPolarHBondContact O-CB 3.19Å; E1106-N1110 PolarHBondContact O-N 3.12Å; E1106-N1110 PolarHBondContact O-ND2 2.85Å; N1110-L1114 WeakPolarHBondContact O-CB 3.35Å; N1110-I1192 WeakPolarHBondContact O-CD1 3.38Å |
| 1111 | L | 89.5 | Confident | 86.1 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.9 | -44.6 | 172.9 | -81.4 | 165.8 | 0 | 0 | 0 | 113.6 | I1081 F1085 L1107 S1109 L1115 I1192 I1196 F1223 L1227 | I1081-L1111 HydrophobicContact CG2-CB 4.28Å; F1085-L1111 HydrophobicContact CD1-CD1 4.14Å; F1085-L1111 HydrophobicContact CE1-CD1 3.58Å; F1085-L1111 HydrophobicContact CZ-CD1 4.24Å; L1107-L1111 PolarHBondContact O-N 2.88Å; S1109-L1111 PolarHBondContact O-N 3.45Å; S1109-L1111 VanDerWaalsContact O-N 3.14Å; L1111-L1115 PolarHBondContact O-N 2.74Å; L1111-I1192 HydrophobicContact CD2-CG2 3.83Å; L1111-I1192 HydrophobicContact CG-CG2 4.13Å; L1111-I1196 HydrophobicContact CD1-CD1 3.82Å; L1111-I1196 HydrophobicContact CD2-CD1 3.91Å; L1111-I1196 HydrophobicContact CG-CD1 4.07Å; L1111-F1223 HydrophobicContact CD1-CZ 3.83Å; L1111-L1227 HydrophobicContact CD2-CD1 4.38Å; L1111-L1227 HydrophobicContact CD2-CD2 3.82Å |
| 1112 | V | 90.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70 | -45.2 | -176.5 | 166 | 0 | 0 | 0 | 0 | 110.8 | K1086 T1108 S1109 L1114 L1115 N1116 | K1086-V1112 HydrophobicContact CB-CG2 3.82Å; K1086-V1112 HydrophobicContact CD-CG1 3.83Å; K1086-V1112 HydrophobicContact CD-CG2 4.05Å; K1086-V1112 HydrophobicContact CG-CG2 3.94Å; T1108-V1112 HydrophobicContact CG2-CG2 4.24Å; T1108-V1112 VanDerWaalsContact O-CB 3.24Å; T1108-V1112 WeakPolarHBondContact O-CB 3.29Å; T1108-V1112 WeakPolarHBondContact O-CG2 3.17Å; T1108-V1112 PolarHBondContact O-N 3.42Å; S1109-V1112 PolarHBondContact O-N 2.89Å; V1112-L1114 VanDerWaalsContact C-N 3.27Å; V1112-L1114 PolarHBondContact O-N 2.91Å; V1112-L1115 PolarHBondContact O-N 2.91Å; V1112-L1115 VanDerWaalsContact O-N 3.13Å; V1112-N1116 HydrophobicContact CG1-CB 4.19Å; V1112-N1116 WeakPolarHBondContact O-CA 3.48Å; V1112-N1116 WeakPolarHBondContact O-CB 3.47Å; V1112-N1116 PolarHBondContact O-N 3.21Å |
| 1113 | D | 90.2 | Very high | 88.8 | Confident | 102 Ų | 102 | 36 Ų | 36 | 55% | 0.545 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.8 | -27.7 | -175.2 | -60.3 | -29 | 0 | 0 | 0 | 111.5 | S1109 P1117 | S1109-D1113 WeakPolarHBondContact CB-OD2 3.42Å; S1109-D1113 WeakPolarHBondContact O-CB 3.33Å; S1109-D1113 PolarHBondContact O-N 2.68Å; D1113-P1117 WeakPolarHBondContact O-CD 3.45Å |
| 1114 | L | 91.4 | Very high | 90 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 16% | 0.162 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -73.1 | -32.2 | 171.8 | -168.2 | 67.8 | 0 | 0 | 0 | 113.2 | N1110 V1112 Y1185 N1188 A1189 I1192 | N1110-L1114 WeakPolarHBondContact O-CB 3.35Å; V1112-L1114 VanDerWaalsContact C-N 3.27Å; V1112-L1114 PolarHBondContact O-N 2.91Å; L1114-Y1185 HydrophobicContact CD1-CD2 4.42Å; L1114-Y1185 HydrophobicContact CD2-CD2 3.97Å; L1114-Y1185 HydrophobicContact CD2-CE2 3.83Å; L1114-Y1185 HydrophobicContact CG-CD2 3.7Å; L1114-Y1185 HydrophobicContact CG-CE2 3.91Å; L1114-N1188 HydrophobicContact CD1-CB 3.91Å; L1114-N1188 HydrophobicContact CD2-CB 4.06Å; L1114-A1189 HydrophobicContact CD2-CB 4.06Å; L1114-I1192 HydrophobicContact CB-CD1 4.44Å; L1114-I1192 HydrophobicContact CD2-CD1 3.71Å |
| 1115 | L | 94.5 | Very high | 91 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -100.2 | -29.8 | -175.6 | -79 | 168.2 | 0 | 0 | 0 | 114.8 | L1078 I1081 L1111 V1112 I1118 Y1119 Y1185 L1227 P1230 | L1078-L1115 HydrophobicContact CD2-CD2 4.01Å; I1081-L1115 HydrophobicContact CB-CD1 3.9Å; I1081-L1115 HydrophobicContact CD1-CD1 3.55Å; I1081-L1115 HydrophobicContact CG1-CD1 4.31Å; I1081-L1115 HydrophobicContact CG2-CD1 3.76Å; L1111-L1115 PolarHBondContact O-N 2.74Å; V1112-L1115 PolarHBondContact O-N 2.91Å; V1112-L1115 VanDerWaalsContact O-N 3.13Å; L1115-I1118 PolarHBondContact O-N 2.76Å; L1115-I1118 VanDerWaalsContact O-N 3.16Å; L1115-Y1119 PolarHBondContact O-N 2.64Å; L1115-Y1185 HydrophobicContact CD2-CD2 4.03Å; L1115-Y1185 HydrophobicContact CD2-CE2 3.26Å; L1115-Y1185 HydrophobicContact CG-CE2 3.73Å; L1115-L1227 HydrophobicContact CD1-CD2 4.04Å; L1115-P1230 HydrophobicContact CD2-CG 4Å |
| 1116 | N | 93.7 | Very high | 92 | Very high | 56 Ų | 56 | 34.3 Ų | 34.3 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.9 | -35.2 | -171.9 | -172.1 | 73.2 | 0 | 0 | 0 | 114 | V1112 Y1119 T1120 | V1112-N1116 HydrophobicContact CG1-CB 4.19Å; V1112-N1116 WeakPolarHBondContact O-CA 3.48Å; V1112-N1116 WeakPolarHBondContact O-CB 3.47Å; V1112-N1116 PolarHBondContact O-N 3.21Å; N1116-Y1119 PolarHBondContact O-N 3Å; N1116-T1120 WeakPolarHBondContact O-CB 3.22Å; N1116-T1120 PolarHBondContact O-N 2.84Å; N1116-T1120 PolarHBondContact O-OG1 2.92Å |
| 1117 | P | 95.2 | Very high | 92.7 | Very high | 50 Ų | 50 | 34.8 Ų | 34.8 | 33% | 0.325 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 170.9 | -25.3 | 35.9 | 0 | 0 | 0 | 112.1 | D1113 Y1119 T1120 E1121 L1181 | D1113-P1117 WeakPolarHBondContact O-CD 3.45Å; P1117-Y1119 PolarHBondContact O-N 3.09Å; P1117-T1120 PolarHBondContact O-N 2.84Å; P1117-E1121 PolarHBondContact O-N 2.89Å; P1117-E1121 VanDerWaalsContact O-N 3.12Å; P1117-L1181 HydrophobicContact CB-CD1 3.95Å; P1117-L1181 HydrophobicContact CB-CD2 4.21Å |
| 1118 | I | 96.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 177.4 | -63.4 | 178.7 | 0 | 0 | 0 | 110.6 | L1078 L1115 T1120 H1122 L1181 Y1182 Y1185 | L1078-I1118 HydrophobicContact CD1-CG2 4.19Å; L1115-I1118 PolarHBondContact O-N 2.76Å; L1115-I1118 VanDerWaalsContact O-N 3.16Å; I1118-T1120 PolarHBondContact O-N 2.85Å; I1118-H1122 WeakPolarHBondContact O-CB 3.4Å; I1118-H1122 PolarHBondContact O-CD2 3.45Å; I1118-H1122 VanDerWaalsContact O-CD2 3.27Å; I1118-H1122 PolarHBondContact O-N 2.79Å; I1118-L1181 HydrophobicContact CG1-CB 4.06Å; I1118-Y1182 HydrophobicContact CD1-CD1 4.3Å; I1118-Y1182 HydrophobicContact CD1-CD2 4.42Å; I1118-Y1182 HydrophobicContact CD1-CE1 4.43Å; I1118-Y1182 HydrophobicContact CD1-CG 4.3Å; I1118-Y1182 HydrophobicContact CG2-CE1 4.49Å; I1118-Y1182 HydrophobicContact CG2-CE2 4.04Å; I1118-Y1185 HydrophobicContact CD1-CD2 3.99Å; I1118-Y1185 HydrophobicContact CD1-CG 3.91Å |
| 1119 | Y | 96.9 | Very high | 93.7 | Very high | 42 Ų | 42 | 37 Ų | 37 | 17% | 0.165 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 176.6 | 173.8 | -116.1 | 0 | 0 | 0 | 113.1 | K1075 L1078 C1082 L1115 N1116 P1117 C1123 | K1075-Y1119 HydrophobicContact CG-CE2 3.91Å; L1078-Y1119 HydrophobicContact CB-CD2 3.63Å; L1078-Y1119 HydrophobicContact CB-CE2 4.47Å; L1078-Y1119 HydrophobicContact CB-CG 4.28Å; L1078-Y1119 HydrophobicContact CD1-CD2 4.27Å; C1082-Y1119 HydrophobicContact CB-CD1 3.88Å; C1082-Y1119 HydrophobicContact CB-CE1 4.38Å; C1082-Y1119 HydrophobicContact CB-CG 4.1Å; L1115-Y1119 PolarHBondContact O-N 2.64Å; N1116-Y1119 PolarHBondContact O-N 3Å; P1117-Y1119 PolarHBondContact O-N 3.09Å; Y1119-C1123 PolarHBondContact O-N 2.9Å; Y1119-C1123 VanDerWaalsContact O-N 3.1Å; Y1119-C1123 PolarHBondContact O-SG 3.36Å |
| 1120 | T | 96 | Very high | 94.1 | Very high | 60 Ų | 60 | 37.8 Ų | 37.8 | 37% | 0.368 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.5 | -50.7 | -179.9 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | N1116 P1117 I1118 H1122 C1123 I1124 | N1116-T1120 WeakPolarHBondContact O-CB 3.22Å; N1116-T1120 PolarHBondContact O-N 2.84Å; N1116-T1120 PolarHBondContact O-OG1 2.92Å; P1117-T1120 PolarHBondContact O-N 2.84Å; I1118-T1120 PolarHBondContact O-N 2.85Å; T1120-H1122 PolarHBondContact O-N 3.03Å; T1120-C1123 WeakPolarHBondContact O-CB 3.44Å; T1120-C1123 PolarHBondContact O-N 3.42Å; T1120-C1123 VanDerWaalsContact O-N 3.13Å; T1120-I1124 PolarHBondContact O-N 3Å |
| 1121 | E | 95.9 | Very high | 94.3 | Very high | 51 Ų | 51 | 38.8 Ų | 38.8 | 24% | 0.238 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 177.9 | -67.2 | -49.5 | 140.1 | 0 | 0 | 112.5 | P1117 C1123 I1124 I1125 H1177 I1178 L1181 | P1117-E1121 PolarHBondContact O-N 2.89Å; P1117-E1121 VanDerWaalsContact O-N 3.12Å; E1121-C1123 PolarHBondContact O-N 2.92Å; E1121-I1124 WeakPolarHBondContact O-CA 3.3Å; E1121-I1124 WeakPolarHBondContact O-CB 3.39Å; E1121-I1124 PolarHBondContact O-N 3.35Å; E1121-I1125 VanDerWaalsContact O-CG1 3.3Å; E1121-I1125 WeakPolarHBondContact O-CG1 3.49Å; E1121-I1125 PolarHBondContact O-N 2.8Å; E1121-H1177 IonicContact OE2-NE2 3.43Å; E1121-H1177 PolarHBondContact OE2-NE2 3.35Å; E1121-I1178 HydrophobicContact CB-CD1 3.52Å; E1121-I1178 HydrophobicContact CB-CG1 4.09Å; E1121-I1178 HydrophobicContact CG-CD1 4.38Å; E1121-I1178 HydrophobicContact CG-CG1 4.43Å; E1121-L1181 HydrophobicContact CG-CD1 4.34Å |
| 1122 | H | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -23.6 | 175.6 | -86.6 | -92.7 | 0 | 0 | 0 | 113.8 | E1071 Y1074 L1078 I1118 T1120 L1126 I1178 Y1182 Y1237 | E1071-H1122 IonicContact OE1-CE1 3.54Å; E1071-H1122 IonicContact OE1-CG 2.65Å; E1071-H1122 IonicContact OE1-ND1 2.66Å; E1071-H1122 PolarHBondContact OE1-ND1 2.8Å; E1071-H1122 IonicContact OE2-ND1 2.71Å; Y1074-H1122 AromaticContact CD1-CE1 3.88Å; Y1074-H1122 AromaticContact CD1-CG 3.99Å; Y1074-H1122 AromaticContact CD1-ND1 3.51Å; Y1074-H1122 HydrophobicContact CE1-CB 4.31Å; Y1074-H1122 AromaticContact CE1-CD2 3.8Å; Y1074-H1122 AromaticContact CE1-CE1 3.47Å; Y1074-H1122 VanDerWaalsContact CE1-CE1 3.47Å; Y1074-H1122 WeakPolarHBondContact CE1-CE1 3.47Å; Y1074-H1122 AromaticContact CE1-CG 3.59Å; Y1074-H1122 AromaticContact CE1-ND1 3.4Å; Y1074-H1122 WeakPolarHBondContact CE1-ND1 3.34Å; Y1074-H1122 AromaticContact CE1-NE2 3.73Å; L1078-H1122 HydrophobicContact CD1-CB 4.48Å; I1118-H1122 WeakPolarHBondContact O-CB 3.4Å; I1118-H1122 PolarHBondContact O-CD2 3.45Å; I1118-H1122 VanDerWaalsContact O-CD2 3.27Å; I1118-H1122 PolarHBondContact O-N 2.79Å; T1120-H1122 PolarHBondContact O-N 3.03Å; H1122-L1126 VanDerWaalsContact O-CB 3.24Å; H1122-L1126 WeakPolarHBondContact O-CB 3.36Å; H1122-L1126 PolarHBondContact O-N 3.49Å; H1122-I1178 WeakPolarHBondContact CD2-CD1 3.34Å; H1122-Y1182 PolarHBondContact CE1-OH 2.75Å; H1122-Y1182 AromaticContact NE2-CE2 3.56Å; H1122-Y1182 AromaticContact NE2-CZ 3.56Å; H1122-Y1182 PolarHBondContact NE2-OH 2.78Å; H1122-Y1237 AromaticContact CE1-CE2 3.91Å; H1122-Y1237 AromaticContact CE1-CZ 3.9Å; H1122-Y1237 PolarHBondContact CE1-OH 3.09Å; H1122-Y1237 VanDerWaalsContact CE1-OH 3.27Å |
| 1123 | C | 96.3 | Very high | 94.3 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 14% | 0.142 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.3 | -37 | 168.3 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | K1075 Y1119 T1120 E1121 N1127 | K1075-C1123 WeakPolarHBondContact CE-SG 3.35Å; K1075-C1123 PolarHBondContact NZ-SG 2.96Å; Y1119-C1123 PolarHBondContact O-N 2.9Å; Y1119-C1123 VanDerWaalsContact O-N 3.1Å; Y1119-C1123 PolarHBondContact O-SG 3.36Å; T1120-C1123 WeakPolarHBondContact O-CB 3.44Å; T1120-C1123 PolarHBondContact O-N 3.42Å; T1120-C1123 VanDerWaalsContact O-N 3.13Å; E1121-C1123 PolarHBondContact O-N 2.92Å; C1123-N1127 VanDerWaalsContact O-CG 3.25Å; C1123-N1127 PolarHBondContact O-N 3.41Å; C1123-N1127 PolarHBondContact O-OD1 2.86Å |
| 1124 | I | 96 | Very high | 94.1 | Very high | 77 Ų | 77 | 39.2 Ų | 39.2 | 40% | 0.395 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -72.2 | -47.1 | 177.5 | -61.7 | 168.4 | 0 | 0 | 0 | 110.1 | T1120 E1121 L1126 N1127 N1128 | T1120-I1124 PolarHBondContact O-N 3Å; E1121-I1124 WeakPolarHBondContact O-CA 3.3Å; E1121-I1124 WeakPolarHBondContact O-CB 3.39Å; E1121-I1124 PolarHBondContact O-N 3.35Å; I1124-L1126 VanDerWaalsContact C-N 3.34Å; I1124-L1126 PolarHBondContact O-N 3.29Å; I1124-N1127 PolarHBondContact O-N 3.42Å; I1124-N1128 VanDerWaalsContact O-CG 3.31Å; I1124-N1128 PolarHBondContact O-N 3.22Å; I1124-N1128 PolarHBondContact O-ND2 2.84Å |
| 1125 | I | 95.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57 | -45.6 | 176.2 | -65.3 | 169.7 | 0 | 0 | 0 | 110.9 | E1121 N1127 N1128 F1129 I1178 | E1121-I1125 VanDerWaalsContact O-CG1 3.3Å; E1121-I1125 WeakPolarHBondContact O-CG1 3.49Å; E1121-I1125 PolarHBondContact O-N 2.8Å; I1125-N1127 PolarHBondContact O-N 3.33Å; I1125-N1128 PolarHBondContact O-N 3.05Å; I1125-F1129 HydrophobicContact CG2-CD2 3.8Å; I1125-F1129 HydrophobicContact CG2-CE1 4.34Å; I1125-F1129 HydrophobicContact CG2-CE2 3.31Å; I1125-F1129 HydrophobicContact CG2-CG 4.5Å; I1125-F1129 HydrophobicContact CG2-CZ 3.63Å; I1125-F1129 WeakPolarHBondContact O-CG 3.41Å; I1125-F1129 PolarHBondContact O-N 2.88Å; I1125-I1178 HydrophobicContact CD1-CD1 3.8Å |
| 1126 | L | 96.1 | Very high | 93.2 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.3 | -49.4 | 175.9 | 176.7 | 60 | 0 | 0 | 0 | 111.9 | E1071 R1072 K1075 H1122 I1124 N1128 F1129 E1130 | E1071-L1126 HydrophobicContact CB-CD1 3.81Å; E1071-L1126 HydrophobicContact CG-CB 3.83Å; E1071-L1126 HydrophobicContact CG-CD1 3.69Å; E1071-L1126 HydrophobicContact CG-CG 4.28Å; R1072-L1126 HydrophobicContact CG-CD1 3.89Å; R1072-L1126 HydrophobicContact CG-CD2 4.3Å; K1075-L1126 HydrophobicContact CB-CD2 4.33Å; K1075-L1126 HydrophobicContact CD-CD2 3.67Å; H1122-L1126 VanDerWaalsContact O-CB 3.24Å; H1122-L1126 WeakPolarHBondContact O-CB 3.36Å; H1122-L1126 PolarHBondContact O-N 3.49Å; I1124-L1126 VanDerWaalsContact C-N 3.34Å; I1124-L1126 PolarHBondContact O-N 3.29Å; L1126-N1128 VanDerWaalsContact C-N 3.28Å; L1126-N1128 PolarHBondContact O-N 3.33Å; L1126-F1129 PolarHBondContact O-N 2.98Å; L1126-E1130 HydrophobicContact CD1-CG 4.01Å; L1126-E1130 WeakPolarHBondContact CD1-OE1 3.45Å; L1126-E1130 HydrophobicContact CG-CG 4.46Å; L1126-E1130 WeakPolarHBondContact O-CB 3.42Å; L1126-E1130 WeakPolarHBondContact O-CG 3.27Å; L1126-E1130 PolarHBondContact O-N 2.78Å |
| 1127 | N | 95.3 | Very high | 92.2 | Very high | 85 Ų | 85 | 41.5 Ų | 41.5 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.8 | -40.8 | 178.9 | -70.6 | -8.9 | 0 | 0 | 0 | 111.3 | C1123 I1124 I1125 E1130 N1131 | C1123-N1127 VanDerWaalsContact O-CG 3.25Å; C1123-N1127 PolarHBondContact O-N 3.41Å; C1123-N1127 PolarHBondContact O-OD1 2.86Å; I1124-N1127 PolarHBondContact O-N 3.42Å; I1125-N1127 PolarHBondContact O-N 3.33Å; N1127-E1130 PolarHBondContact O-N 2.94Å; N1127-N1131 WeakPolarHBondContact O-CB 3.48Å; N1127-N1131 PolarHBondContact O-N 3.49Å; N1127-N1131 PolarHBondContact O-ND2 3.48Å |
| 1128 | N | 94.4 | Very high | 90.8 | Very high | 69 Ų | 69 | 42 Ų | 42 | 37% | 0.369 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 177.7 | -69.7 | -20.2 | 0 | 0 | 0 | 112.2 | I1124 I1125 L1126 R1132 L1171 | I1124-N1128 VanDerWaalsContact O-CG 3.31Å; I1124-N1128 PolarHBondContact O-N 3.22Å; I1124-N1128 PolarHBondContact O-ND2 2.84Å; I1125-N1128 PolarHBondContact O-N 3.05Å; L1126-N1128 VanDerWaalsContact C-N 3.28Å; L1126-N1128 PolarHBondContact O-N 3.33Å; N1128-R1132 WeakPolarHBondContact O-CB 3.24Å; N1128-R1132 PolarHBondContact O-N 3.43Å; N1128-L1171 HydrophobicContact CB-CD1 4.25Å; N1128-L1171 HydrophobicContact CB-CD2 4.46Å |
| 1129 | F | 94.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 174.9 | -66.1 | -25.6 | 0 | 0 | 0 | 112.5 | L1067 V1068 I1125 L1126 R1132 L1133 I1168 L1171 F1172 Y1237 | L1067-F1129 HydrophobicContact CD1-CD2 4.42Å; L1067-F1129 HydrophobicContact CD1-CE2 3.96Å; L1067-F1129 HydrophobicContact CD2-CD1 4.25Å; L1067-F1129 HydrophobicContact CD2-CD2 3.95Å; L1067-F1129 HydrophobicContact CD2-CE1 4.12Å; L1067-F1129 HydrophobicContact CD2-CE2 3.82Å; L1067-F1129 HydrophobicContact CD2-CG 4.17Å; L1067-F1129 HydrophobicContact CD2-CZ 3.91Å; L1067-F1129 HydrophobicContact CG-CD2 3.93Å; L1067-F1129 HydrophobicContact CG-CE2 3.91Å; L1067-F1129 HydrophobicContact CG-CZ 4.48Å; V1068-F1129 HydrophobicContact CG2-CB 3.72Å; I1125-F1129 HydrophobicContact CG2-CD2 3.8Å; I1125-F1129 HydrophobicContact CG2-CE1 4.34Å; I1125-F1129 HydrophobicContact CG2-CE2 3.31Å; I1125-F1129 HydrophobicContact CG2-CG 4.5Å; I1125-F1129 HydrophobicContact CG2-CZ 3.63Å; I1125-F1129 WeakPolarHBondContact O-CG 3.41Å; I1125-F1129 PolarHBondContact O-N 2.88Å; L1126-F1129 PolarHBondContact O-N 2.98Å; F1129-R1132 PolarHBondContact O-N 2.81Å; F1129-L1133 WeakPolarHBondContact O-CB 3.43Å; F1129-L1133 PolarHBondContact O-N 2.89Å; F1129-I1168 HydrophobicContact CD1-CD1 3.74Å; F1129-I1168 HydrophobicContact CD1-CG1 4.45Å; F1129-I1168 HydrophobicContact CE1-CD1 4.13Å; F1129-I1168 HydrophobicContact CE1-CG1 4.4Å; F1129-L1171 HydrophobicContact CD1-CB 4.21Å; F1129-L1171 HydrophobicContact CD1-CD1 4.03Å; F1129-L1171 HydrophobicContact CE1-CB 3.88Å; F1129-F1172 HydrophobicContact CZ-CD1 4.37Å; F1129-F1172 HydrophobicContact CZ-CE1 4.1Å; F1129-F1172 HydrophobicContact CZ-CE2 4.26Å; F1129-F1172 HydrophobicContact CZ-CZ 4.05Å; F1129-Y1237 HydrophobicContact CE2-CE1 4.48Å |
| 1130 | E | 93.6 | Very high | 87.1 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 24% | 0.238 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 175.8 | -74.1 | -167 | -172.4 | 0 | 0 | 112.2 | V1068 R1072 L1126 N1127 R1132 L1133 S1134 | V1068-E1130 HydrophobicContact CG1-CG 3.68Å; V1068-E1130 HydrophobicContact CG2-CG 4.41Å; R1072-E1130 IonicContact CZ-OE1 3.77Å; R1072-E1130 IonicContact CZ-OE2 3.74Å; R1072-E1130 IonicContact NE-OE1 2.74Å; R1072-E1130 PolarHBondContact NE-OE1 3.24Å; R1072-E1130 IonicContact NH2-OE1 3.12Å; R1072-E1130 PolarHBondContact NH2-OE1 3.15Å; R1072-E1130 IonicContact NH2-OE2 2.68Å; R1072-E1130 PolarHBondContact NH2-OE2 3.13Å; L1126-E1130 HydrophobicContact CD1-CG 4.01Å; L1126-E1130 WeakPolarHBondContact CD1-OE1 3.45Å; L1126-E1130 HydrophobicContact CG-CG 4.46Å; L1126-E1130 WeakPolarHBondContact O-CB 3.42Å; L1126-E1130 WeakPolarHBondContact O-CG 3.27Å; L1126-E1130 PolarHBondContact O-N 2.78Å; N1127-E1130 PolarHBondContact O-N 2.94Å; E1130-R1132 PolarHBondContact O-N 3.42Å; E1130-L1133 PolarHBondContact O-N 2.8Å; E1130-S1134 PolarHBondContact O-N 2.89Å; E1130-S1134 PolarHBondContact O-OG 2.91Å |
| 1131 | N | 91.6 | Very high | 84.7 | Confident | 97 Ų | 97 | 48.9 Ų | 48.9 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.4 | -35.3 | 176.6 | -72.2 | -24.9 | 0 | 0 | 0 | 112.7 | N1127 S1134 N1135 | N1127-N1131 WeakPolarHBondContact O-CB 3.48Å; N1127-N1131 PolarHBondContact O-N 3.49Å; N1127-N1131 PolarHBondContact O-ND2 3.48Å; N1131-S1134 PolarHBondContact O-OG 3.39Å; N1131-S1134 VanDerWaalsContact O-OG 3.05Å; N1131-N1135 VanDerWaalsContact O-CG 3.27Å; N1131-N1135 PolarHBondContact O-N 2.69Å; N1131-N1135 PolarHBondContact O-ND2 3.1Å |
| 1132 | R | 90.7 | Very high | 82.3 | Confident | 45 Ų | 45 | 51 Ų | 51 | 17% | 0.17 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.4 | -42.3 | 173.8 | -173.7 | 60.7 | 63.1 | 82.6 | -4.5 | 111.4 | N1128 F1129 E1130 W1136 R1167 I1168 D1170 L1171 | N1128-R1132 WeakPolarHBondContact O-CB 3.24Å; N1128-R1132 PolarHBondContact O-N 3.43Å; F1129-R1132 PolarHBondContact O-N 2.81Å; E1130-R1132 PolarHBondContact O-N 3.42Å; R1132-W1136 WeakPolarHBondContact O-CB 3.14Å; R1132-W1136 PolarHBondContact O-N 3.09Å; R1132-R1167 WeakPolarHBondContact CD-O 3.29Å; R1132-R1167 WeakPolarHBondContact CG-O 3.46Å; R1132-R1167 PolarHBondContact NH1-O 3.38Å; R1132-I1168 HydrophobicContact CB-CD1 4.49Å; R1132-I1168 HydrophobicContact CG-CD1 4.14Å; R1132-D1170 IonicContact CZ-OD1 3.71Å; R1132-D1170 IonicContact CZ-OD2 3.32Å; R1132-D1170 VanDerWaalsContact CZ-OD2 3.32Å; R1132-D1170 IonicContact NH1-OD1 2.71Å; R1132-D1170 PolarHBondContact NH1-OD1 3.05Å; R1132-D1170 IonicContact NH1-OD2 2.99Å; R1132-D1170 PolarHBondContact NH1-OD2 3.26Å; R1132-D1170 IonicContact NH2-OD1 3.83Å; R1132-D1170 IonicContact NH2-OD2 2.71Å; R1132-D1170 PolarHBondContact NH2-OD2 2.91Å; R1132-L1171 HydrophobicContact CB-CD1 3.82Å; R1132-L1171 HydrophobicContact CG-CD1 4.18Å |
| 1133 | L | 89.4 | Confident | 79.8 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.3 | -39 | -179.5 | -176.4 | 66.6 | 0 | 0 | 0 | 112.7 | Y1061 V1064 R1065 V1068 F1129 E1130 W1136 S1137 | Y1061-L1133 HydrophobicContact CD2-CD1 3.83Å; Y1061-L1133 HydrophobicContact CE2-CD1 3.39Å; Y1061-L1133 HydrophobicContact CE2-CG 4.4Å; V1064-L1133 HydrophobicContact CB-CD1 4.35Å; V1064-L1133 HydrophobicContact CG1-CB 4.45Å; V1064-L1133 HydrophobicContact CG1-CD1 4.06Å; R1065-L1133 HydrophobicContact CB-CD1 4.37Å; R1065-L1133 HydrophobicContact CB-CD2 4.39Å; R1065-L1133 HydrophobicContact CG-CD2 4.42Å; V1068-L1133 HydrophobicContact CB-CD2 4.09Å; V1068-L1133 HydrophobicContact CG1-CD2 4.32Å; V1068-L1133 HydrophobicContact CG2-CB 4.43Å; V1068-L1133 HydrophobicContact CG2-CD2 3.9Å; F1129-L1133 WeakPolarHBondContact O-CB 3.43Å; F1129-L1133 PolarHBondContact O-N 2.89Å; E1130-L1133 PolarHBondContact O-N 2.8Å; L1133-W1136 PolarHBondContact O-N 3.48Å; L1133-S1137 PolarHBondContact O-N 3.47Å |
| 1134 | S | 85.6 | Confident | 77 | Confident | 51 Ų | 51 | 61.6 Ų | 61.6 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.6 | -47 | 176.4 | 60.8 | 0 | 0 | 0 | 0 | 111.3 | E1130 N1131 W1136 S1137 S1138 | E1130-S1134 PolarHBondContact O-N 2.89Å; E1130-S1134 PolarHBondContact O-OG 2.91Å; N1131-S1134 PolarHBondContact O-OG 3.39Å; N1131-S1134 VanDerWaalsContact O-OG 3.05Å; S1134-W1136 PolarHBondContact O-N 3.45Å; S1134-S1137 PolarHBondContact O-N 3.45Å; S1134-S1137 VanDerWaalsContact O-N 3.16Å; S1134-S1137 PolarHBondContact O-OG 3.18Å; S1134-S1138 PolarHBondContact O-N 2.72Å; S1134-S1138 PolarHBondContact O-OG 2.72Å; S1134-S1138 VanDerWaalsContact O-OG 3.13Å |
| 1135 | N | 84.6 | Confident | 74.2 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 175.2 | -72.8 | -17.4 | 0 | 0 | 0 | 112.4 | N1131 S1137 S1138 Q1139 | N1131-N1135 VanDerWaalsContact O-CG 3.27Å; N1131-N1135 PolarHBondContact O-N 2.69Å; N1131-N1135 PolarHBondContact O-ND2 3.1Å; N1135-S1137 PolarHBondContact O-N 2.82Å; N1135-S1138 PolarHBondContact O-N 2.73Å; N1135-Q1139 PolarHBondContact O-N 3.33Å |
| 1136 | W | 82.9 | Confident | 71.4 | Confident | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 175 | -166.4 | -39.6 | 0 | 0 | 0 | 111.4 | A1060 Y1061 V1064 R1132 L1133 S1134 S1138 Q1139 Q1140 Y1166 | A1060-W1136 HydrophobicContact CB-CH2 4.27Å; A1060-W1136 HydrophobicContact CB-CZ2 4.33Å; Y1061-W1136 HydrophobicContact CD2-CB 4.43Å; Y1061-W1136 AromaticContact CD2-CD1 3.51Å; Y1061-W1136 HydrophobicContact CD2-CD2 4.15Å; Y1061-W1136 AromaticContact CD2-CG 3.8Å; Y1061-W1136 HydrophobicContact CD2-CG 3.8Å; Y1061-W1136 AromaticContact CD2-NE1 3.7Å; Y1061-W1136 HydrophobicContact CE2-CG 4.36Å; V1064-W1136 HydrophobicContact CG2-CH2 4.44Å; V1064-W1136 HydrophobicContact CG2-CZ3 4.04Å; R1132-W1136 WeakPolarHBondContact O-CB 3.14Å; R1132-W1136 PolarHBondContact O-N 3.09Å; L1133-W1136 PolarHBondContact O-N 3.48Å; S1134-W1136 PolarHBondContact O-N 3.45Å; W1136-S1138 VanDerWaalsContact C-N 3.34Å; W1136-S1138 PolarHBondContact O-N 3.08Å; W1136-Q1139 PolarHBondContact O-N 2.72Å; W1136-Q1140 PolarHBondContact O-N 2.88Å; W1136-Y1166 AromaticContact CD1-CD1 3.6Å; W1136-Y1166 AromaticContact CD1-CE1 3.66Å; W1136-Y1166 AromaticContact CD2-CD1 3.78Å; W1136-Y1166 HydrophobicContact CD2-CD1 3.78Å; W1136-Y1166 AromaticContact CE2-CD1 3.6Å; W1136-Y1166 AromaticContact CG-CD1 3.79Å; W1136-Y1166 HydrophobicContact CG-CD1 3.79Å; W1136-Y1166 HydrophobicContact CG-CE1 4.13Å; W1136-Y1166 HydrophobicContact CZ2-CD1 4.23Å; W1136-Y1166 AromaticContact NE1-CD1 3.47Å; W1136-Y1166 AromaticContact NE1-CE1 3.82Å |
| 1137 | S | 71.7 | Confident | 68.4 | Low | 38 Ų | 38 | 77.6 Ų | 77.6 | 27% | 0.266 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.6 | -29 | 180 | 74.6 | 0 | 0 | 0 | 0 | 113.9 | L1133 S1134 N1135 N1141 | L1133-S1137 PolarHBondContact O-N 3.47Å; S1134-S1137 PolarHBondContact O-N 3.45Å; S1134-S1137 VanDerWaalsContact O-N 3.16Å; S1134-S1137 PolarHBondContact O-OG 3.18Å; N1135-S1137 PolarHBondContact O-N 2.82Å; S1137-N1141 PolarHBondContact O-ND2 3Å |
| 1138 | S | 66.8 | Low | 65.2 | Low | 61 Ų | 61 | 79.9 Ų | 79.9 | 43% | 0.427 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68 | -47.1 | 175.3 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | S1134 N1135 W1136 Q1140 N1141 | S1134-S1138 PolarHBondContact O-N 2.72Å; S1134-S1138 PolarHBondContact O-OG 2.72Å; S1134-S1138 VanDerWaalsContact O-OG 3.13Å; N1135-S1138 PolarHBondContact O-N 2.73Å; W1136-S1138 VanDerWaalsContact C-N 3.34Å; W1136-S1138 PolarHBondContact O-N 3.08Å; S1138-Q1140 VanDerWaalsContact C-N 3.28Å; S1138-Q1140 PolarHBondContact O-N 3.18Å; S1138-N1141 PolarHBondContact O-N 3.19Å |
| 1139 | Q | 59.9 | Low | 62.2 | Low | 80 Ų | 80 | 80.3 Ų | 80.3 | 37% | 0.374 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65 | -26.4 | -177 | -68.2 | -177.3 | -15.1 | 0 | 0 | 113.9 | N1135 W1136 N1141 Y1166 | N1135-Q1139 PolarHBondContact O-N 3.33Å; W1136-Q1139 PolarHBondContact O-N 2.72Å; Q1139-N1141 VanDerWaalsContact C-N 3.29Å; Q1139-N1141 PolarHBondContact O-N 3.49Å; Q1139-Y1166 HydrophobicContact CB-CE1 4.41Å; Q1139-Y1166 WeakPolarHBondContact CB-OH 3.28Å |
| 1140 | Q | 54.7 | Low | 59.1 | Low | 70 Ų | 70 | 87.6 Ų | 87.6 | 33% | 0.327 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.3 | -29 | 171.7 | -82.2 | -160.9 | -21 | 0 | 0 | 113.4 | D1058 W1136 S1138 | D1058-Q1140 PolarHBondContact OD1-NE2 2.9Å; W1136-Q1140 PolarHBondContact O-N 2.88Å; S1138-Q1140 VanDerWaalsContact C-N 3.28Å; S1138-Q1140 PolarHBondContact O-N 3.18Å |
| 1141 | N | 47.1 | Very low | 56 | Low | 97 Ų | 97 | 92.2 Ų | 92.2 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -78.1 | -36.3 | -174.5 | -77 | -63.8 | 0 | 0 | 0 | 113.1 | S1137 S1138 Q1139 N1144 | S1137-N1141 PolarHBondContact O-ND2 3Å; S1138-N1141 PolarHBondContact O-N 3.19Å; Q1139-N1141 VanDerWaalsContact C-N 3.29Å; Q1139-N1141 PolarHBondContact O-N 3.49Å; N1141-N1144 PolarHBondContact O-N 2.91Å |
| 1142 | D | 45.3 | Very low | 53.2 | Low | 96 Ų | 96 | 93.2 Ų | 93.2 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.4 | -35.7 | -177.4 | -67.7 | -39.4 | 0 | 0 | 0 | 112.4 | N1144 K1145 | D1142-N1144 PolarHBondContact O-N 3.43Å; D1142-K1145 PolarHBondContact O-N 2.6Å |
| 1143 | H | 44.6 | Very low | 50.3 | Low | 134 Ų | 134 | 99.2 Ų | 99.2 | 62% | 0.62 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -21.7 | 173.9 | -79.5 | -45.9 | 0 | 0 | 0 | 114.2 | ||
| 1144 | N | 37.1 | Very low | 47.4 | Very low | 109 Ų | 109 | 106 Ų | 106 | 58% | 0.583 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -9.3 | 175.6 | -73.6 | -25.9 | 0 | 0 | 0 | 113.4 | N1141 D1142 | N1141-N1144 PolarHBondContact O-N 2.91Å; D1142-N1144 PolarHBondContact O-N 3.43Å |
| 1145 | K | 37.7 | Very low | 44.7 | Very low | 153 Ų | 153 | 110.8 Ų | 110.8 | 67% | 0.665 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -20.8 | 178.6 | -73.5 | 177.8 | 179.8 | 166.6 | 0 | 114.6 | D1142 S1147 | D1142-K1145 PolarHBondContact O-N 2.6Å; K1145-S1147 VanDerWaalsContact C-N 3.25Å; K1145-S1147 PolarHBondContact O-N 3.2Å; K1145-S1147 VanDerWaalsContact O-N 3.12Å |
| 1146 | Q | 37.1 | Very low | 41.9 | Very low | 171 Ų | 171 | 113.6 Ų | 113.6 | 80% | 0.799 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 36.9 | -175 | -67.5 | -176.1 | -28.3 | 0 | 0 | 114.1 | ||
| 1147 | S | 31.6 | Very low | 39.2 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 71% | 0.713 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | 17.1 | -179.2 | 61.5 | 0 | 0 | 0 | 0 | 115.2 | K1145 | K1145-S1147 VanDerWaalsContact C-N 3.25Å; K1145-S1147 PolarHBondContact O-N 3.2Å; K1145-S1147 VanDerWaalsContact O-N 3.12Å |
| 1148 | T | 28.9 | Very low | 37.1 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 81% | 0.81 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -142 | 107.1 | 168.9 | 53 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1149 | G | 31.5 | Very low | 35.2 | Very low | 79 Ų | 79 | 128.7 Ų | 128.7 | 81% | 0.814 | 72% | 0.716 | S | S | * | * | trans | 149.8 | 127 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1150 | L | 29 | Very low | 33.6 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | trans | -95.9 | 160.5 | 166.9 | -148.5 | 76.2 | 0 | 0 | 0 | 108.6 | ||||
| 1151 | D | 29.3 | Very low | 32.5 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | 65.5 | 140.5 | 174.7 | -45.3 | -40.8 | 0 | 0 | 0 | 114.8 | ||||
| 1152 | S | 32.1 | Very low | 32.2 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | cis | -146 | 174.4 | 22.6 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1153 | L | 28.8 | Very low | 32.2 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 90% | 0.901 | 76% | 0.757 | S | S | * | * | trans | -75.5 | 130.8 | -176 | -65.5 | 163.2 | 0 | 0 | 0 | 112.6 | ||||
| 1154 | N | 29.7 | Very low | 32.5 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | trans | -150.5 | 134.7 | 141.4 | -149.8 | -15.1 | 0 | 0 | 0 | 111.6 | ||||
| 1155 | L | 28.8 | Very low | 33.5 | Very low | 152 Ų | 152 | 125.8 Ų | 125.8 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | trans | -127.1 | 90.4 | -175.7 | -108.5 | 164 | 0 | 0 | 0 | 108.4 | ||||
| 1156 | N | 25.5 | Very low | 35.1 | Very low | 155 Ų | 155 | 120.6 Ų | 120.6 | 83% | 0.829 | 70% | 0.703 | S | S | * | * | trans | -179.9 | 156.1 | 142.1 | -96.5 | -34.7 | 0 | 0 | 0 | 114.1 | ||||
| 1157 | S | 25.5 | Very low | 37.3 | Very low | 110 Ų | 110 | 115.1 Ų | 115.1 | 77% | 0.769 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 75.2 | 138.9 | 168.8 | 79.6 | 0 | 0 | 0 | 0 | 119.2 | ||
| 1158 | Q | 27.8 | Very low | 40.1 | Very low | 188 Ų | 188 | 110.3 Ų | 110.3 | 88% | 0.879 | 64% | 0.641 | S | S | * | * | trans | 60.6 | 51.6 | 163.1 | -54.7 | -165.3 | 8.7 | 0 | 0 | 119.6 | I1160 | Q1158-I1160 VanDerWaalsContact C-N 3.34Å; Q1158-I1160 PolarHBondContact O-N 2.95Å | ||
| 1159 | S | 26.5 | Very low | 42.9 | Very low | 120 Ų | 120 | 104 Ų | 104 | 84% | 0.839 | 60% | 0.603 | S | S | * | * | trans | -90.7 | 51.5 | 161.7 | 69.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1160 | I | 27.5 | Very low | 45.8 | Very low | 142 Ų | 142 | 102.5 Ų | 102.5 | 73% | 0.728 | 58% | 0.576 | S | S | * | * | trans | -133 | 130.2 | 177.7 | -55.7 | 178.7 | 0 | 0 | 0 | 108.8 | Q1158 | Q1158-I1160 VanDerWaalsContact C-N 3.34Å; Q1158-I1160 PolarHBondContact O-N 2.95Å | ||
| 1161 | N | 31.9 | Very low | 48.8 | Very low | 124 Ų | 124 | 96.4 Ų | 96.4 | 66% | 0.663 | 54% | 0.544 | S | S | * | . | trans | 119.7 | 7.1 | 175.8 | -65.7 | -22.9 | 0 | 0 | 0 | 117.5 | S1163 T1164 | N1161-S1163 PolarHBondContact O-N 2.87Å; N1161-S1163 VanDerWaalsContact O-N 3.11Å; N1161-T1164 PolarHBondContact O-OG1 2.91Å | ||
| 1162 | S | 39.4 | Very low | 51.9 | Low | 108 Ų | 108 | 90 Ų | 90 | 76% | 0.755 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | 9.3 | 173.6 | 54.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1163 | S | 45.7 | Very low | 54.9 | Low | 63 Ų | 63 | 86.7 Ų | 86.7 | 44% | 0.441 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 6.8 | -171.7 | 71.8 | 0 | 0 | 0 | 0 | 115.5 | N1161 R1167 | N1161-S1163 PolarHBondContact O-N 2.87Å; N1161-S1163 VanDerWaalsContact O-N 3.11Å; S1163-R1167 PolarHBondContact O-NE 3.39Å; S1163-R1167 PolarHBondContact O-NH2 3.06Å |
| 1164 | T | 51.2 | Low | 57.9 | Low | 80 Ų | 80 | 81.6 Ų | 81.6 | 49% | 0.491 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -99.6 | -25.6 | -177.2 | 52.2 | 0 | 0 | 0 | 0 | 114 | N1161 Y1166 | N1161-T1164 PolarHBondContact O-OG1 2.91Å; T1164-Y1166 VanDerWaalsContact C-N 3.34Å; T1164-Y1166 PolarHBondContact O-N 3.21Å |
| 1165 | G | 58 | Low | 60.9 | Low | 7 Ų | 7 | 74.6 Ų | 74.6 | 7% | 0.072 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -24.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1166 | Y | 71.1 | Confident | 63.9 | Low | 44 Ų | 44 | 68.6 Ų | 68.6 | 17% | 0.173 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 37.4 | -170.5 | -52.2 | -51 | 0 | 0 | 0 | 113.4 | L1057 W1136 Q1139 T1164 | L1057-Y1166 HydrophobicContact CD2-CD2 4.32Å; L1057-Y1166 HydrophobicContact CD2-CG 4.42Å; W1136-Y1166 AromaticContact CD1-CD1 3.6Å; W1136-Y1166 AromaticContact CD1-CE1 3.66Å; W1136-Y1166 AromaticContact CD2-CD1 3.78Å; W1136-Y1166 HydrophobicContact CD2-CD1 3.78Å; W1136-Y1166 AromaticContact CE2-CD1 3.6Å; W1136-Y1166 AromaticContact CG-CD1 3.79Å; W1136-Y1166 HydrophobicContact CG-CD1 3.79Å; W1136-Y1166 HydrophobicContact CG-CE1 4.13Å; W1136-Y1166 HydrophobicContact CZ2-CD1 4.23Å; W1136-Y1166 AromaticContact NE1-CD1 3.47Å; W1136-Y1166 AromaticContact NE1-CE1 3.82Å; Q1139-Y1166 HydrophobicContact CB-CE1 4.41Å; Q1139-Y1166 WeakPolarHBondContact CB-OH 3.28Å; T1164-Y1166 VanDerWaalsContact C-N 3.34Å; T1164-Y1166 PolarHBondContact O-N 3.21Å |
| 1167 | R | 83.4 | Confident | 67.1 | Low | 57 Ų | 57 | 66.4 Ų | 66.4 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | trans | -121.4 | 153.4 | 179.8 | -60.9 | -163.2 | -158.4 | -165.2 | 10.3 | 111.3 | R1132 S1163 P1253 D1254 | R1132-R1167 WeakPolarHBondContact CD-O 3.29Å; R1132-R1167 WeakPolarHBondContact CG-O 3.46Å; R1132-R1167 PolarHBondContact NH1-O 3.38Å; S1163-R1167 PolarHBondContact O-NE 3.39Å; S1163-R1167 PolarHBondContact O-NH2 3.06Å; R1167-P1253 PolarHBondContact NH1-O 3.34Å; R1167-D1254 HydrophobicContact CB-CB 4.37Å; R1167-D1254 WeakPolarHBondContact CB-OD1 3.46Å; R1167-D1254 HydrophobicContact CG-CB 4.17Å | ||
| 1168 | I | 89.7 | Confident | 70.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | trans | -145.2 | -23.6 | 173.8 | -160.1 | 69.2 | 0 | 0 | 0 | 112.4 | V1064 L1067 F1129 R1132 D1170 L1171 F1172 L1244 D1254 | V1064-I1168 HydrophobicContact CG1-CD1 3.79Å; V1064-I1168 HydrophobicContact CG1-CG1 4.24Å; V1064-I1168 HydrophobicContact CG2-CB 4.04Å; V1064-I1168 HydrophobicContact CG2-CD1 4.38Å; V1064-I1168 HydrophobicContact CG2-CG1 4.02Å; V1064-I1168 HydrophobicContact CG2-CG2 4.06Å; L1067-I1168 HydrophobicContact CD2-CD1 4.4Å; L1067-I1168 HydrophobicContact CD2-CG1 3.98Å; F1129-I1168 HydrophobicContact CD1-CD1 3.74Å; F1129-I1168 HydrophobicContact CD1-CG1 4.45Å; F1129-I1168 HydrophobicContact CE1-CD1 4.13Å; F1129-I1168 HydrophobicContact CE1-CG1 4.4Å; R1132-I1168 HydrophobicContact CB-CD1 4.49Å; R1132-I1168 HydrophobicContact CG-CD1 4.14Å; I1168-D1170 VanDerWaalsContact C-N 3.27Å; I1168-D1170 PolarHBondContact N-OD1 2.83Å; I1168-D1170 PolarHBondContact O-N 3.01Å; I1168-L1171 HydrophobicContact CD1-CD1 4.22Å; I1168-L1171 PolarHBondContact O-N 3.02Å; I1168-F1172 HydrophobicContact CG1-CD2 4.32Å; I1168-F1172 HydrophobicContact CG1-CE2 4.17Å; I1168-F1172 WeakPolarHBondContact O-CD2 3.25Å; I1168-F1172 PolarHBondContact O-N 2.73Å; I1168-F1172 VanDerWaalsContact O-N 3.1Å; I1168-L1244 HydrophobicContact CG2-CD1 3.65Å; I1168-L1244 HydrophobicContact CG2-CD2 4.48Å; I1168-D1254 PolarHBondContact N-OD1 3.24Å; I1168-D1254 PolarHBondContact N-OD2 3.16Å | ||
| 1169 | G | 89.3 | Confident | 73.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.9 | -36.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1171 F1172 V1173 D1254 D1257 | G1169-L1171 VanDerWaalsContact C-N 3.35Å; G1169-L1171 PolarHBondContact O-N 2.92Å; G1169-F1172 WeakPolarHBondContact O-CB 3.25Å; G1169-F1172 PolarHBondContact O-N 3.16Å; G1169-V1173 WeakPolarHBondContact O-CG2 3.3Å; G1169-V1173 PolarHBondContact O-N 2.88Å; G1169-D1254 WeakPolarHBondContact CA-OD1 3.37Å; G1169-D1254 VanDerWaalsContact N-CG 3.26Å; G1169-D1254 PolarHBondContact N-OD1 3.01Å; G1169-D1254 PolarHBondContact N-OD2 3.48Å; G1169-D1257 VanDerWaalsContact C-CB 3.49Å |
| 1170 | D | 91.3 | Very high | 76.7 | Confident | 47 Ų | 47 | 52.2 Ų | 52.2 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.4 | -44.4 | 172.8 | 69.5 | -44.3 | 0 | 0 | 0 | 112.6 | R1132 I1168 V1173 A1174 D1254 | R1132-D1170 IonicContact CZ-OD1 3.71Å; R1132-D1170 IonicContact CZ-OD2 3.32Å; R1132-D1170 VanDerWaalsContact CZ-OD2 3.32Å; R1132-D1170 IonicContact NH1-OD1 2.71Å; R1132-D1170 PolarHBondContact NH1-OD1 3.05Å; R1132-D1170 IonicContact NH1-OD2 2.99Å; R1132-D1170 PolarHBondContact NH1-OD2 3.26Å; R1132-D1170 IonicContact NH2-OD1 3.83Å; R1132-D1170 IonicContact NH2-OD2 2.71Å; R1132-D1170 PolarHBondContact NH2-OD2 2.91Å; I1168-D1170 VanDerWaalsContact C-N 3.27Å; I1168-D1170 PolarHBondContact N-OD1 2.83Å; I1168-D1170 PolarHBondContact O-N 3.01Å; D1170-V1173 PolarHBondContact O-N 2.96Å; D1170-A1174 WeakPolarHBondContact O-CB 3.34Å; D1170-A1174 PolarHBondContact O-N 3.37Å; D1170-D1254 PolarHBondContact N-OD1 3.27Å |
| 1171 | L | 93.2 | Very high | 79.9 | Confident | 26 Ų | 26 | 48.4 Ų | 48.4 | 14% | 0.136 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.7 | -34.8 | 176.4 | -66.5 | -175.5 | 0 | 0 | 0 | 112.2 | N1128 F1129 R1132 I1168 G1169 S1175 | N1128-L1171 HydrophobicContact CB-CD1 4.25Å; N1128-L1171 HydrophobicContact CB-CD2 4.46Å; F1129-L1171 HydrophobicContact CD1-CB 4.21Å; F1129-L1171 HydrophobicContact CD1-CD1 4.03Å; F1129-L1171 HydrophobicContact CE1-CB 3.88Å; R1132-L1171 HydrophobicContact CB-CD1 3.82Å; R1132-L1171 HydrophobicContact CG-CD1 4.18Å; I1168-L1171 HydrophobicContact CD1-CD1 4.22Å; I1168-L1171 PolarHBondContact O-N 3.02Å; G1169-L1171 VanDerWaalsContact C-N 3.35Å; G1169-L1171 PolarHBondContact O-N 2.92Å; L1171-S1175 WeakPolarHBondContact O-CB 3.42Å; L1171-S1175 PolarHBondContact O-N 3.27Å; L1171-S1175 PolarHBondContact O-OG 2.93Å |
| 1172 | F | 94.5 | Very high | 82.9 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 5% | 0.053 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 170.6 | -85.4 | -74.8 | 0 | 0 | 0 | 111.8 | L1067 F1129 I1168 G1169 S1175 L1176 Y1237 L1241 A1261 | L1067-F1172 HydrophobicContact CD1-CZ 3.74Å; L1067-F1172 HydrophobicContact CD2-CE2 3.67Å; L1067-F1172 HydrophobicContact CD2-CZ 3.7Å; L1067-F1172 HydrophobicContact CG-CZ 4.39Å; F1129-F1172 HydrophobicContact CZ-CD1 4.37Å; F1129-F1172 HydrophobicContact CZ-CE1 4.1Å; F1129-F1172 HydrophobicContact CZ-CE2 4.26Å; F1129-F1172 HydrophobicContact CZ-CZ 4.05Å; I1168-F1172 HydrophobicContact CG1-CD2 4.32Å; I1168-F1172 HydrophobicContact CG1-CE2 4.17Å; I1168-F1172 WeakPolarHBondContact O-CD2 3.25Å; I1168-F1172 PolarHBondContact O-N 2.73Å; I1168-F1172 VanDerWaalsContact O-N 3.1Å; G1169-F1172 WeakPolarHBondContact O-CB 3.25Å; G1169-F1172 PolarHBondContact O-N 3.16Å; F1172-S1175 WeakPolarHBondContact O-CB 3.44Å; F1172-S1175 PolarHBondContact O-N 2.8Å; F1172-L1176 WeakPolarHBondContact O-CG 3.41Å; F1172-L1176 PolarHBondContact O-N 3.44Å; F1172-Y1237 AromaticContact CE1-CD1 3.82Å; F1172-Y1237 HydrophobicContact CE1-CD1 3.82Å; F1172-Y1237 HydrophobicContact CE1-CD2 4.45Å; F1172-Y1237 HydrophobicContact CE1-CE1 4.04Å; F1172-Y1237 HydrophobicContact CE1-CG 4.02Å; F1172-Y1237 HydrophobicContact CZ-CD1 4.23Å; F1172-Y1237 HydrophobicContact CZ-CE1 4.46Å; F1172-L1241 HydrophobicContact CD1-CD1 4.29Å; F1172-L1241 HydrophobicContact CD1-CD2 4.46Å; F1172-L1241 HydrophobicContact CD2-CD2 3.8Å; F1172-L1241 HydrophobicContact CE1-CD1 4.45Å; F1172-L1241 HydrophobicContact CE1-CG 4.5Å; F1172-L1241 HydrophobicContact CE2-CD2 3.97Å; F1172-L1241 HydrophobicContact CG-CD2 4.06Å; F1172-L1241 HydrophobicContact CZ-CD2 4.38Å; F1172-L1241 HydrophobicContact CZ-CG 4.44Å; F1172-A1261 HydrophobicContact CB-CB 3.76Å |
| 1173 | V | 93.5 | Very high | 85.4 | Confident | 50 Ų | 50 | 41 Ų | 41 | 30% | 0.303 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.5 | -44.9 | 177.4 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | G1169 D1170 S1175 L1176 D1257 I1260 A1261 | G1169-V1173 WeakPolarHBondContact O-CG2 3.3Å; G1169-V1173 PolarHBondContact O-N 2.88Å; D1170-V1173 PolarHBondContact O-N 2.96Å; V1173-S1175 PolarHBondContact O-N 3.05Å; V1173-L1176 HydrophobicContact CB-CD1 4.33Å; V1173-L1176 HydrophobicContact CG1-CD1 4.31Å; V1173-L1176 HydrophobicContact CG2-CD1 4.33Å; V1173-L1176 WeakPolarHBondContact O-CB 3.17Å; V1173-L1176 WeakPolarHBondContact O-CG 3.37Å; V1173-L1176 PolarHBondContact O-N 3.39Å; V1173-L1176 VanDerWaalsContact O-N 3.15Å; V1173-D1257 HydrophobicContact CG2-CB 3.88Å; V1173-D1257 VanDerWaalsContact CG2-O 3.28Å; V1173-D1257 WeakPolarHBondContact CG2-O 3.38Å; V1173-I1260 HydrophobicContact CG2-CB 4.3Å; V1173-I1260 HydrophobicContact CG2-CG2 4.21Å; V1173-A1261 HydrophobicContact CG2-CB 4.25Å |
| 1174 | A | 93.1 | Very high | 87.6 | Confident | 64 Ų | 64 | 41 Ų | 41 | 53% | 0.529 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.6 | -36.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1170 L1176 H1177 | D1170-A1174 WeakPolarHBondContact O-CB 3.34Å; D1170-A1174 PolarHBondContact O-N 3.37Å; A1174-L1176 VanDerWaalsContact C-N 3.29Å; A1174-L1176 PolarHBondContact O-N 3.49Å; A1174-H1177 PolarHBondContact O-ND1 3.26Å |
| 1175 | S | 92.7 | Very high | 89.7 | Confident | 17 Ų | 17 | 37.2 Ų | 37.2 | 12% | 0.119 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -75.9 | -6.5 | 179.3 | -54.6 | 0 | 0 | 0 | 0 | 114.5 | L1171 F1172 V1173 H1177 I1178 | L1171-S1175 WeakPolarHBondContact O-CB 3.42Å; L1171-S1175 PolarHBondContact O-N 3.27Å; L1171-S1175 PolarHBondContact O-OG 2.93Å; F1172-S1175 WeakPolarHBondContact O-CB 3.44Å; F1172-S1175 PolarHBondContact O-N 2.8Å; V1173-S1175 PolarHBondContact O-N 3.05Å; S1175-H1177 PolarHBondContact O-N 3.29Å; S1175-I1178 WeakPolarHBondContact O-CB 3.33Å; S1175-I1178 WeakPolarHBondContact O-CG2 3.48Å; S1175-I1178 PolarHBondContact O-N 2.89Å; S1175-I1178 VanDerWaalsContact O-N 3.09Å |
| 1176 | L | 91.6 | Very high | 91.3 | Very high | 27 Ų | 27 | 37.3 Ų | 37.3 | 14% | 0.141 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -64.3 | -15.1 | -176.5 | -66.9 | 170.4 | 0 | 0 | 0 | 114.1 | F1172 V1173 A1174 I1178 L1179 I1260 A1261 K1264 | F1172-L1176 WeakPolarHBondContact O-CG 3.41Å; F1172-L1176 PolarHBondContact O-N 3.44Å; V1173-L1176 HydrophobicContact CB-CD1 4.33Å; V1173-L1176 HydrophobicContact CG1-CD1 4.31Å; V1173-L1176 HydrophobicContact CG2-CD1 4.33Å; V1173-L1176 WeakPolarHBondContact O-CB 3.17Å; V1173-L1176 WeakPolarHBondContact O-CG 3.37Å; V1173-L1176 PolarHBondContact O-N 3.39Å; V1173-L1176 VanDerWaalsContact O-N 3.15Å; A1174-L1176 VanDerWaalsContact C-N 3.29Å; A1174-L1176 PolarHBondContact O-N 3.49Å; L1176-I1178 PolarHBondContact O-N 3.37Å; L1176-L1179 HydrophobicContact CB-CD1 4.42Å; L1176-L1179 HydrophobicContact CD2-CD1 3.75Å; L1176-L1179 HydrophobicContact CD2-CG 4.45Å; L1176-L1179 WeakPolarHBondContact O-CG 3.02Å; L1176-L1179 PolarHBondContact O-N 2.91Å; L1176-I1260 HydrophobicContact CD1-CG2 4.37Å; L1176-A1261 HydrophobicContact CD2-CB 4.38Å; L1176-K1264 HydrophobicContact CD1-CD 4.12Å; L1176-K1264 HydrophobicContact CD2-CB 4.26Å |
| 1177 | H | 92 | Very high | 92.2 | Very high | 108 Ų | 108 | 39.4 Ų | 39.4 | 50% | 0.5 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -63 | -15.5 | 172.5 | 70.6 | -94 | 0 | 0 | 0 | 113.3 | E1121 A1174 S1175 P1180 | E1121-H1177 IonicContact OE2-NE2 3.43Å; E1121-H1177 PolarHBondContact OE2-NE2 3.35Å; A1174-H1177 PolarHBondContact O-ND1 3.26Å; S1175-H1177 PolarHBondContact O-N 3.29Å; H1177-P1180 VanDerWaalsContact O-CD 3.31Å; H1177-P1180 WeakPolarHBondContact O-CD 3.47Å |
| 1178 | I | 94.3 | Very high | 92.5 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -77.7 | -18.4 | 177.8 | -153.3 | 172.5 | 0 | 0 | 0 | 113.4 | E1121 H1122 I1125 S1175 L1176 L1181 Y1182 | E1121-I1178 HydrophobicContact CB-CD1 3.52Å; E1121-I1178 HydrophobicContact CB-CG1 4.09Å; E1121-I1178 HydrophobicContact CG-CD1 4.38Å; E1121-I1178 HydrophobicContact CG-CG1 4.43Å; H1122-I1178 WeakPolarHBondContact CD2-CD1 3.34Å; I1125-I1178 HydrophobicContact CD1-CD1 3.8Å; S1175-I1178 WeakPolarHBondContact O-CB 3.33Å; S1175-I1178 WeakPolarHBondContact O-CG2 3.48Å; S1175-I1178 PolarHBondContact O-N 2.89Å; S1175-I1178 VanDerWaalsContact O-N 3.09Å; L1176-I1178 PolarHBondContact O-N 3.37Å; I1178-L1181 HydrophobicContact CG1-CD1 4.24Å; I1178-L1181 WeakPolarHBondContact O-CB 3.23Å; I1178-L1181 PolarHBondContact O-N 3.09Å; I1178-Y1182 HydrophobicContact CD1-CE2 3.9Å; I1178-Y1182 HydrophobicContact CG1-CD2 4.11Å; I1178-Y1182 HydrophobicContact CG1-CE2 4.02Å; I1178-Y1182 HydrophobicContact CG2-CD2 4.11Å; I1178-Y1182 HydrophobicContact CG2-CE2 4.13Å; I1178-Y1182 PolarHBondContact O-N 2.93Å |
| 1179 | L | 93.6 | Very high | 92.6 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 13% | 0.131 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.9 | -37.2 | -173.4 | -64 | 178 | 0 | 0 | 0 | 114.3 | L1176 L1181 Y1182 H1183 K1264 L1265 L1268 | L1176-L1179 HydrophobicContact CB-CD1 4.42Å; L1176-L1179 HydrophobicContact CD2-CD1 3.75Å; L1176-L1179 HydrophobicContact CD2-CG 4.45Å; L1176-L1179 WeakPolarHBondContact O-CG 3.02Å; L1176-L1179 PolarHBondContact O-N 2.91Å; L1179-L1181 VanDerWaalsContact C-N 3.33Å; L1179-L1181 PolarHBondContact O-N 3.47Å; L1179-Y1182 PolarHBondContact O-N 3.14Å; L1179-H1183 PolarHBondContact O-N 3.03Å; L1179-K1264 HydrophobicContact CD1-CB 3.99Å; L1179-L1265 HydrophobicContact CD2-CD1 4.27Å; L1179-L1268 HydrophobicContact CB-CD2 4.13Å; L1179-L1268 HydrophobicContact CD2-CD2 3.68Å; L1179-L1268 HydrophobicContact CG-CD2 4.45Å |
| 1180 | P | 93.9 | Very high | 92.7 | Very high | 88 Ų | 88 | 40.6 Ų | 40.6 | 57% | 0.571 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.5 | -33.3 | 172.5 | -23.5 | 35.9 | 0 | 0 | 0 | 114 | H1177 H1183 C1184 | H1177-P1180 VanDerWaalsContact O-CD 3.31Å; H1177-P1180 WeakPolarHBondContact O-CD 3.47Å; P1180-H1183 WeakPolarHBondContact O-CB 3.47Å; P1180-H1183 PolarHBondContact O-N 3.23Å; P1180-C1184 PolarHBondContact O-N 3.21Å |
| 1181 | L | 94.2 | Very high | 92.7 | Very high | 62 Ų | 62 | 42.8 Ų | 42.8 | 33% | 0.325 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.1 | -42.4 | 175 | -59.2 | 178.3 | 0 | 0 | 0 | 110.4 | P1117 I1118 E1121 I1178 L1179 H1183 C1184 Y1185 | P1117-L1181 HydrophobicContact CB-CD1 3.95Å; P1117-L1181 HydrophobicContact CB-CD2 4.21Å; I1118-L1181 HydrophobicContact CG1-CB 4.06Å; E1121-L1181 HydrophobicContact CG-CD1 4.34Å; I1178-L1181 HydrophobicContact CG1-CD1 4.24Å; I1178-L1181 WeakPolarHBondContact O-CB 3.23Å; I1178-L1181 PolarHBondContact O-N 3.09Å; L1179-L1181 VanDerWaalsContact C-N 3.33Å; L1179-L1181 PolarHBondContact O-N 3.47Å; L1181-H1183 VanDerWaalsContact C-N 3.35Å; L1181-H1183 PolarHBondContact O-N 3.35Å; L1181-C1184 PolarHBondContact O-N 2.71Å; L1181-Y1185 WeakPolarHBondContact O-CB 3.46Å; L1181-Y1185 PolarHBondContact O-N 2.69Å |
| 1182 | Y | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -37.2 | 171.6 | -85.5 | -86.2 | 0 | 0 | 0 | 113.1 | Y1074 I1118 H1122 I1178 L1179 Y1185 L1186 P1230 L1234 | Y1074-Y1182 PolarHBondContact OH-OH 3.15Å; I1118-Y1182 HydrophobicContact CD1-CD1 4.3Å; I1118-Y1182 HydrophobicContact CD1-CD2 4.42Å; I1118-Y1182 HydrophobicContact CD1-CE1 4.43Å; I1118-Y1182 HydrophobicContact CD1-CG 4.3Å; I1118-Y1182 HydrophobicContact CG2-CE1 4.49Å; I1118-Y1182 HydrophobicContact CG2-CE2 4.04Å; H1122-Y1182 PolarHBondContact CE1-OH 2.75Å; H1122-Y1182 AromaticContact NE2-CE2 3.56Å; H1122-Y1182 AromaticContact NE2-CZ 3.56Å; H1122-Y1182 PolarHBondContact NE2-OH 2.78Å; I1178-Y1182 HydrophobicContact CD1-CE2 3.9Å; I1178-Y1182 HydrophobicContact CG1-CD2 4.11Å; I1178-Y1182 HydrophobicContact CG1-CE2 4.02Å; I1178-Y1182 HydrophobicContact CG2-CD2 4.11Å; I1178-Y1182 HydrophobicContact CG2-CE2 4.13Å; I1178-Y1182 PolarHBondContact O-N 2.93Å; L1179-Y1182 PolarHBondContact O-N 3.14Å; Y1182-Y1185 WeakPolarHBondContact O-CB 3.49Å; Y1182-Y1185 PolarHBondContact O-N 2.82Å; Y1182-L1186 WeakPolarHBondContact O-CB 3.44Å; Y1182-L1186 VanDerWaalsContact O-CG 3.22Å; Y1182-L1186 WeakPolarHBondContact O-CG 3.34Å; Y1182-L1186 PolarHBondContact O-N 2.58Å; Y1182-P1230 HydrophobicContact CD1-CB 4.16Å; Y1182-P1230 HydrophobicContact CE1-CB 3.6Å; Y1182-P1230 WeakPolarHBondContact CE1-O 3.43Å; Y1182-L1234 HydrophobicContact CD1-CD1 3.6Å; Y1182-L1234 HydrophobicContact CD1-CD2 3.82Å; Y1182-L1234 HydrophobicContact CD1-CG 3.74Å; Y1182-L1234 HydrophobicContact CD2-CD2 4.12Å; Y1182-L1234 HydrophobicContact CE1-CD1 4.16Å; Y1182-L1234 HydrophobicContact CE1-CD2 3.74Å; Y1182-L1234 HydrophobicContact CE1-CG 3.75Å; Y1182-L1234 HydrophobicContact CE2-CD2 4.07Å; Y1182-L1234 HydrophobicContact CG-CD1 4.02Å; Y1182-L1234 HydrophobicContact CG-CD2 4Å; Y1182-L1234 HydrophobicContact CG-CG 4.32Å |
| 1183 | H | 93.2 | Very high | 92.5 | Very high | 77 Ų | 77 | 42.4 Ų | 42.4 | 36% | 0.356 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.5 | -46 | 175.5 | -170 | -87.3 | 0 | 0 | 0 | 111.6 | L1179 P1180 L1181 Y1185 L1186 L1187 L1268 Q1272 | L1179-H1183 PolarHBondContact O-N 3.03Å; P1180-H1183 WeakPolarHBondContact O-CB 3.47Å; P1180-H1183 PolarHBondContact O-N 3.23Å; L1181-H1183 VanDerWaalsContact C-N 3.35Å; L1181-H1183 PolarHBondContact O-N 3.35Å; H1183-Y1185 VanDerWaalsContact C-N 3.34Å; H1183-Y1185 PolarHBondContact O-N 3.07Å; H1183-L1186 PolarHBondContact O-N 3.35Å; H1183-L1187 WeakPolarHBondContact O-CG 3.39Å; H1183-L1187 PolarHBondContact O-N 2.99Å; H1183-L1268 HydrophobicContact CB-CD1 4.07Å; H1183-Q1272 PolarHBondContact CD2-NE2 3.44Å; H1183-Q1272 PolarHBondContact NE2-NE2 3.47Å |
| 1184 | C | 91.6 | Very high | 92.4 | Very high | 62 Ų | 62 | 41.2 Ų | 41.2 | 42% | 0.419 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 173.4 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | P1180 L1181 L1186 L1187 N1188 | P1180-C1184 PolarHBondContact O-N 3.21Å; L1181-C1184 PolarHBondContact O-N 2.71Å; C1184-L1186 PolarHBondContact O-N 3.21Å; C1184-L1187 PolarHBondContact O-N 3.39Å; C1184-N1188 PolarHBondContact O-N 3.15Å; C1184-N1188 PolarHBondContact O-ND2 3.17Å |
| 1185 | Y | 94.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.6 | -52.3 | 177.1 | -173.6 | -91 | 0 | 0 | 0 | 112.7 | L1114 L1115 I1118 L1181 Y1182 H1183 L1187 N1188 A1189 L1227 P1230 | L1114-Y1185 HydrophobicContact CD1-CD2 4.42Å; L1114-Y1185 HydrophobicContact CD2-CD2 3.97Å; L1114-Y1185 HydrophobicContact CD2-CE2 3.83Å; L1114-Y1185 HydrophobicContact CG-CD2 3.7Å; L1114-Y1185 HydrophobicContact CG-CE2 3.91Å; L1115-Y1185 HydrophobicContact CD2-CD2 4.03Å; L1115-Y1185 HydrophobicContact CD2-CE2 3.26Å; L1115-Y1185 HydrophobicContact CG-CE2 3.73Å; I1118-Y1185 HydrophobicContact CD1-CD2 3.99Å; I1118-Y1185 HydrophobicContact CD1-CG 3.91Å; L1181-Y1185 WeakPolarHBondContact O-CB 3.46Å; L1181-Y1185 PolarHBondContact O-N 2.69Å; Y1182-Y1185 WeakPolarHBondContact O-CB 3.49Å; Y1182-Y1185 PolarHBondContact O-N 2.82Å; H1183-Y1185 VanDerWaalsContact C-N 3.34Å; H1183-Y1185 PolarHBondContact O-N 3.07Å; Y1185-L1187 VanDerWaalsContact C-N 3.28Å; Y1185-L1187 PolarHBondContact O-N 3.22Å; Y1185-N1188 PolarHBondContact O-N 3.29Å; Y1185-N1188 VanDerWaalsContact O-N 3.17Å; Y1185-A1189 HydrophobicContact CD1-CB 4.08Å; Y1185-A1189 HydrophobicContact CE1-CB 3.51Å; Y1185-A1189 HydrophobicContact CE2-CB 4.03Å; Y1185-A1189 VanDerWaalsContact CZ-CB 3.46Å; Y1185-A1189 VanDerWaalsContact O-CB 3.27Å; Y1185-A1189 WeakPolarHBondContact O-CB 3.27Å; Y1185-A1189 PolarHBondContact O-N 2.74Å; Y1185-L1227 WeakPolarHBondContact OH-CA 3.2Å; Y1185-L1227 PolarHBondContact OH-O 2.91Å; Y1185-P1230 HydrophobicContact CD1-CB 3.94Å; Y1185-P1230 HydrophobicContact CD1-CG 4.14Å; Y1185-P1230 HydrophobicContact CE1-CB 3.87Å; Y1185-P1230 HydrophobicContact CE1-CG 3.65Å; Y1185-P1230 HydrophobicContact CE2-CG 4.37Å |
| 1186 | L | 91.5 | Very high | 92.1 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.7 | -24.1 | -172.2 | -67.7 | 167.7 | 0 | 0 | 0 | 113.4 | Y1182 H1183 C1184 M1231 L1234 Q1272 M1279 | Y1182-L1186 WeakPolarHBondContact O-CB 3.44Å; Y1182-L1186 VanDerWaalsContact O-CG 3.22Å; Y1182-L1186 WeakPolarHBondContact O-CG 3.34Å; Y1182-L1186 PolarHBondContact O-N 2.58Å; H1183-L1186 PolarHBondContact O-N 3.35Å; C1184-L1186 PolarHBondContact O-N 3.21Å; L1186-M1231 HydrophobicContact CD1-SD 4.03Å; L1186-M1231 HydrophobicContact CD2-CB 3.96Å; L1186-M1231 HydrophobicContact CD2-CG 4.33Å; L1186-M1231 HydrophobicContact CD2-SD 4.24Å; L1186-L1234 HydrophobicContact CD1-CD1 4.33Å; L1186-Q1272 HydrophobicContact CB-CB 4.41Å; L1186-Q1272 HydrophobicContact CB-CG 4.39Å; L1186-Q1272 HydrophobicContact CD1-CB 3.78Å; L1186-Q1272 HydrophobicContact CD1-CG 4.06Å; L1186-M1279 HydrophobicContact CD2-CE 4.31Å |
| 1187 | L | 89.2 | Confident | 92 | Very high | 88 Ų | 88 | 39.7 Ų | 39.7 | 46% | 0.461 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -74.3 | -37.4 | 172 | -68.5 | 173.4 | 0 | 0 | 0 | 112.6 | H1183 C1184 Y1185 | H1183-L1187 WeakPolarHBondContact O-CG 3.39Å; H1183-L1187 PolarHBondContact O-N 2.99Å; C1184-L1187 PolarHBondContact O-N 3.39Å; Y1185-L1187 VanDerWaalsContact C-N 3.28Å; Y1185-L1187 PolarHBondContact O-N 3.22Å |
| 1188 | N | 90.8 | Very high | 91.8 | Very high | 67 Ų | 67 | 38.9 Ų | 38.9 | 36% | 0.358 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -98.9 | -33.7 | -168 | -66.9 | -25.2 | 0 | 0 | 0 | 114.1 | L1114 C1184 Y1185 G1190 N1191 I1192 | L1114-N1188 HydrophobicContact CD1-CB 3.91Å; L1114-N1188 HydrophobicContact CD2-CB 4.06Å; C1184-N1188 PolarHBondContact O-N 3.15Å; C1184-N1188 PolarHBondContact O-ND2 3.17Å; Y1185-N1188 PolarHBondContact O-N 3.29Å; Y1185-N1188 VanDerWaalsContact O-N 3.17Å; N1188-G1190 VanDerWaalsContact C-N 3.28Å; N1188-G1190 PolarHBondContact O-N 2.74Å; N1188-N1191 PolarHBondContact O-N 3.13Å; N1188-I1192 PolarHBondContact O-N 3.46Å; N1188-I1192 VanDerWaalsContact O-N 3.14Å |
| 1189 | A | 92.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.2 | -34.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1114 Y1185 N1191 M1193 M1279 | L1114-A1189 HydrophobicContact CD2-CB 4.06Å; Y1185-A1189 HydrophobicContact CD1-CB 4.08Å; Y1185-A1189 HydrophobicContact CE1-CB 3.51Å; Y1185-A1189 HydrophobicContact CE2-CB 4.03Å; Y1185-A1189 VanDerWaalsContact CZ-CB 3.46Å; Y1185-A1189 VanDerWaalsContact O-CB 3.27Å; Y1185-A1189 WeakPolarHBondContact O-CB 3.27Å; Y1185-A1189 PolarHBondContact O-N 2.74Å; A1189-N1191 VanDerWaalsContact C-N 3.33Å; A1189-N1191 PolarHBondContact O-N 2.78Å; A1189-M1193 PolarHBondContact O-N 2.82Å; A1189-M1279 HydrophobicContact CB-SD 3.72Å |
| 1190 | G | 91.1 | Very high | 91.1 | Very high | 15 Ų | 15 | 39.1 Ų | 39.1 | 16% | 0.155 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.6 | -29.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1188 L1194 | N1188-G1190 VanDerWaalsContact C-N 3.28Å; N1188-G1190 PolarHBondContact O-N 2.74Å; G1190-L1194 WeakPolarHBondContact O-CG 3.23Å |
| 1191 | N | 90.1 | Very high | 90.6 | Very high | 92 Ų | 92 | 40.4 Ų | 40.4 | 49% | 0.492 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -76.6 | -48 | 176.2 | -61.7 | -26.9 | 0 | 0 | 0 | 110.1 | N1188 A1189 M1193 L1194 D1195 | N1188-N1191 PolarHBondContact O-N 3.13Å; A1189-N1191 VanDerWaalsContact C-N 3.33Å; A1189-N1191 PolarHBondContact O-N 2.78Å; N1191-M1193 PolarHBondContact O-N 2.83Å; N1191-L1194 CarbonylContact O-C 3.55Å; N1191-L1194 WeakPolarHBondContact O-CA 3.4Å; N1191-L1194 WeakPolarHBondContact O-CB 3.42Å; N1191-L1194 PolarHBondContact O-N 2.94Å; N1191-D1195 PolarHBondContact O-N 3.03Å |
| 1192 | I | 90.9 | Very high | 90 | Very high | 31 Ų | 31 | 41.2 Ų | 41.2 | 16% | 0.159 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56 | -39.5 | 176.4 | -62.4 | -173.1 | 0 | 0 | 0 | 111.5 | N1110 L1111 L1114 N1188 L1194 D1195 I1196 | N1110-I1192 WeakPolarHBondContact O-CD1 3.38Å; L1111-I1192 HydrophobicContact CD2-CG2 3.83Å; L1111-I1192 HydrophobicContact CG-CG2 4.13Å; L1114-I1192 HydrophobicContact CB-CD1 4.44Å; L1114-I1192 HydrophobicContact CD2-CD1 3.71Å; N1188-I1192 PolarHBondContact O-N 3.46Å; N1188-I1192 VanDerWaalsContact O-N 3.14Å; I1192-L1194 VanDerWaalsContact C-N 3.3Å; I1192-L1194 PolarHBondContact O-N 3.1Å; I1192-D1195 PolarHBondContact O-N 2.81Å; I1192-I1196 HydrophobicContact CG2-CD1 3.75Å; I1192-I1196 HydrophobicContact CG2-CG1 4.3Å; I1192-I1196 WeakPolarHBondContact O-CD1 3.45Å; I1192-I1196 VanDerWaalsContact O-CG1 3.23Å; I1192-I1196 WeakPolarHBondContact O-CG1 3.35Å; I1192-I1196 PolarHBondContact O-N 2.71Å |
| 1193 | M | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.5 | -40.1 | 174.1 | -174.2 | -179.4 | -63.4 | 0 | 0 | 112.7 | A1189 N1191 E1197 Y1224 L1227 L1228 M1279 T1282 L1286 | A1189-M1193 PolarHBondContact O-N 2.82Å; N1191-M1193 PolarHBondContact O-N 2.83Å; M1193-E1197 PolarHBondContact O-N 2.83Å; M1193-Y1224 HydrophobicContact CG-CD1 3.76Å; M1193-Y1224 HydrophobicContact CG-CE1 3.95Å; M1193-Y1224 HydrophobicContact CG-CG 4.14Å; M1193-Y1224 HydrophobicContact SD-CG 4.4Å; M1193-L1227 HydrophobicContact CB-CD1 4.35Å; M1193-L1227 HydrophobicContact CE-CB 4.11Å; M1193-L1227 HydrophobicContact CE-CD1 4.06Å; M1193-L1228 HydrophobicContact CE-CD2 4.41Å; M1193-M1279 HydrophobicContact CE-CG 4.11Å; M1193-T1282 HydrophobicContact SD-CG2 4Å; M1193-L1286 HydrophobicContact CG-CD1 4.41Å |
| 1194 | L | 91.8 | Very high | 88.9 | Confident | 24 Ų | 24 | 45.6 Ų | 45.6 | 13% | 0.126 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.2 | -37.4 | 176.9 | -66 | 175.1 | 0 | 0 | 0 | 112.2 | G1190 N1191 I1192 E1197 K1198 T1282 L1344 Y1348 | G1190-L1194 WeakPolarHBondContact O-CG 3.23Å; N1191-L1194 CarbonylContact O-C 3.55Å; N1191-L1194 WeakPolarHBondContact O-CA 3.4Å; N1191-L1194 WeakPolarHBondContact O-CB 3.42Å; N1191-L1194 PolarHBondContact O-N 2.94Å; I1192-L1194 VanDerWaalsContact C-N 3.3Å; I1192-L1194 PolarHBondContact O-N 3.1Å; L1194-E1197 PolarHBondContact O-N 3.08Å; L1194-K1198 WeakPolarHBondContact O-CG 3.48Å; L1194-K1198 PolarHBondContact O-N 2.78Å; L1194-T1282 HydrophobicContact CD2-CG2 3.49Å; L1194-T1282 VanDerWaalsContact CD2-CG2 3.49Å; L1194-T1282 HydrophobicContact CG-CG2 4.13Å; L1194-L1344 HydrophobicContact CB-CD1 4.39Å; L1194-L1344 HydrophobicContact CD2-CD1 4.11Å; L1194-L1344 HydrophobicContact CD2-CD2 4.45Å; L1194-Y1348 WeakPolarHBondContact CD1-OH 3.49Å; L1194-Y1348 HydrophobicContact CD2-CD2 4.31Å; L1194-Y1348 HydrophobicContact CD2-CE1 4.12Å; L1194-Y1348 HydrophobicContact CD2-CE2 3.71Å |
| 1195 | D | 89.5 | Confident | 88.4 | Confident | 64 Ų | 64 | 45.7 Ų | 45.7 | 34% | 0.342 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.3 | -35.3 | 179.6 | -63.7 | -40.5 | 0 | 0 | 0 | 111.8 | N1191 I1192 K1198 L1199 | N1191-D1195 PolarHBondContact O-N 3.03Å; I1192-D1195 PolarHBondContact O-N 2.81Å; D1195-K1198 PolarHBondContact O-N 3.39Å; D1195-K1198 WeakPolarHBondContact OD1-CE 3.08Å; D1195-K1198 IonicContact OD1-NZ 2.72Å; D1195-K1198 PolarHBondContact OD1-NZ 2.71Å; D1195-L1199 WeakPolarHBondContact O-CB 3.48Å; D1195-L1199 WeakPolarHBondContact O-CG 3.48Å; D1195-L1199 PolarHBondContact O-N 3.36Å |
| 1196 | I | 89.5 | Confident | 87.9 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 168 | -67 | 163.1 | 0 | 0 | 0 | 110.7 | L1107 L1111 I1192 L1199 T1200 L1210 F1223 Y1224 | L1107-I1196 HydrophobicContact CD2-CG1 3.83Å; L1111-I1196 HydrophobicContact CD1-CD1 3.82Å; L1111-I1196 HydrophobicContact CD2-CD1 3.91Å; L1111-I1196 HydrophobicContact CG-CD1 4.07Å; I1192-I1196 HydrophobicContact CG2-CD1 3.75Å; I1192-I1196 HydrophobicContact CG2-CG1 4.3Å; I1192-I1196 WeakPolarHBondContact O-CD1 3.45Å; I1192-I1196 VanDerWaalsContact O-CG1 3.23Å; I1192-I1196 WeakPolarHBondContact O-CG1 3.35Å; I1192-I1196 PolarHBondContact O-N 2.71Å; I1196-L1199 PolarHBondContact O-N 3.34Å; I1196-T1200 VanDerWaalsContact O-CB 3.23Å; I1196-T1200 WeakPolarHBondContact O-CB 3.37Å; I1196-T1200 PolarHBondContact O-N 2.79Å; I1196-T1200 PolarHBondContact O-OG1 2.81Å; I1196-L1210 HydrophobicContact CG2-CD1 3.87Å; I1196-F1223 HydrophobicContact CD1-CE1 4.21Å; I1196-Y1224 HydrophobicContact CB-CE1 4.33Å; I1196-Y1224 HydrophobicContact CG2-CE1 3.97Å |
| 1197 | E | 90.2 | Very high | 87.5 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 178.5 | -171.7 | 76.5 | -176.4 | 0 | 0 | 112.1 | M1193 L1194 T1200 R1201 Y1224 L1286 L1344 | M1193-E1197 PolarHBondContact O-N 2.83Å; L1194-E1197 PolarHBondContact O-N 3.08Å; E1197-T1200 PolarHBondContact O-N 2.9Å; E1197-R1201 PolarHBondContact O-N 2.86Å; E1197-Y1224 PolarHBondContact OE2-OH 3.36Å; E1197-L1286 HydrophobicContact CB-CD1 4.11Å; E1197-L1286 HydrophobicContact CG-CD1 4.03Å; E1197-L1286 HydrophobicContact CG-CD2 3.76Å; E1197-L1344 HydrophobicContact CB-CD2 3.77Å; E1197-L1344 HydrophobicContact CG-CD2 3.7Å |
| 1198 | K | 88.2 | Confident | 87.2 | Confident | 91 Ų | 91 | 46.5 Ų | 46.5 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.3 | -52.7 | 171.1 | -68.8 | 172.3 | -163.8 | 165.9 | 0 | 110.5 | L1194 D1195 T1200 R1201 I1202 L1344 | L1194-K1198 WeakPolarHBondContact O-CG 3.48Å; L1194-K1198 PolarHBondContact O-N 2.78Å; D1195-K1198 PolarHBondContact O-N 3.39Å; D1195-K1198 WeakPolarHBondContact OD1-CE 3.08Å; D1195-K1198 IonicContact OD1-NZ 2.72Å; D1195-K1198 PolarHBondContact OD1-NZ 2.71Å; K1198-T1200 VanDerWaalsContact C-N 3.3Å; K1198-T1200 PolarHBondContact O-N 3.5Å; K1198-R1201 WeakPolarHBondContact O-CB 3.32Å; K1198-R1201 PolarHBondContact O-N 2.7Å; K1198-R1201 VanDerWaalsContact O-N 3.14Å; K1198-I1202 VanDerWaalsContact O-CG1 3.3Å; K1198-I1202 WeakPolarHBondContact O-CG1 2.79Å; K1198-I1202 PolarHBondContact O-N 2.76Å; K1198-L1344 HydrophobicContact CG-CD1 4.4Å; K1198-L1344 HydrophobicContact CG-CD2 3.93Å; K1198-L1344 HydrophobicContact CG-CG 4.11Å |
| 1199 | L | 86 | Confident | 86.9 | Confident | 25 Ų | 25 | 43.9 Ų | 43.9 | 13% | 0.131 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.1 | -36.5 | -179 | -73.2 | 167.3 | 0 | 0 | 0 | 111.8 | L1103 L1107 D1195 I1196 R1201 I1202 R1203 I1206 | L1103-L1199 HydrophobicContact CD1-CD2 4.09Å; L1103-L1199 HydrophobicContact CD2-CD2 4.48Å; L1107-L1199 HydrophobicContact CD1-CD1 4.19Å; L1107-L1199 HydrophobicContact CD2-CD1 3.66Å; L1107-L1199 HydrophobicContact CG-CD1 4.04Å; D1195-L1199 WeakPolarHBondContact O-CB 3.48Å; D1195-L1199 WeakPolarHBondContact O-CG 3.48Å; D1195-L1199 PolarHBondContact O-N 3.36Å; I1196-L1199 PolarHBondContact O-N 3.34Å; L1199-R1201 VanDerWaalsContact C-N 3.32Å; L1199-R1201 PolarHBondContact O-N 3.46Å; L1199-I1202 PolarHBondContact O-N 3.07Å; L1199-R1203 PolarHBondContact O-N 3.08Å; L1199-I1206 HydrophobicContact CB-CD1 4.04Å |
| 1200 | T | 86.4 | Confident | 86.7 | Confident | 13 Ų | 13 | 44 Ų | 44 | 8% | 0.08 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.5 | -35.5 | 173.8 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | I1196 E1197 K1198 R1203 E1207 | I1196-T1200 VanDerWaalsContact O-CB 3.23Å; I1196-T1200 WeakPolarHBondContact O-CB 3.37Å; I1196-T1200 PolarHBondContact O-N 2.79Å; I1196-T1200 PolarHBondContact O-OG1 2.81Å; E1197-T1200 PolarHBondContact O-N 2.9Å; K1198-T1200 VanDerWaalsContact C-N 3.3Å; K1198-T1200 PolarHBondContact O-N 3.5Å; T1200-R1203 CarbonylContact O-C 3.58Å; T1200-E1207 HydrophobicContact CG2-CB 3.57Å; T1200-E1207 HydrophobicContact CG2-CG 3.61Å |
| 1201 | R | 82.9 | Confident | 86.3 | Confident | 114 Ų | 114 | 46.1 Ų | 46.1 | 43% | 0.43 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -73.8 | -35.6 | 173.2 | -76.8 | 179.2 | 167 | -85.2 | -15.4 | 113.6 | E1197 K1198 L1199 L1344 G1345 | E1197-R1201 PolarHBondContact O-N 2.86Å; K1198-R1201 WeakPolarHBondContact O-CB 3.32Å; K1198-R1201 PolarHBondContact O-N 2.7Å; K1198-R1201 VanDerWaalsContact O-N 3.14Å; L1199-R1201 VanDerWaalsContact C-N 3.32Å; L1199-R1201 PolarHBondContact O-N 3.46Å; R1201-L1344 VanDerWaalsContact CZ-O 3.31Å; R1201-L1344 VanDerWaalsContact NE-C 3.31Å; R1201-L1344 PolarHBondContact NE-O 3.32Å; R1201-L1344 PolarHBondContact NH2-O 3.29Å; R1201-G1345 VanDerWaalsContact CZ-CA 3.5Å; R1201-G1345 VanDerWaalsContact NH2-CA 3.27Å |
| 1202 | I | 82.2 | Confident | 86 | Confident | 80 Ų | 80 | 44.4 Ų | 44.4 | 41% | 0.41 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -78 | -29.7 | -179.2 | -63.3 | 162.6 | 0 | 0 | 0 | 111 | K1198 L1199 | K1198-I1202 VanDerWaalsContact O-CG1 3.3Å; K1198-I1202 WeakPolarHBondContact O-CG1 2.79Å; K1198-I1202 PolarHBondContact O-N 2.76Å; L1199-I1202 PolarHBondContact O-N 3.07Å |
| 1203 | R | 82.8 | Confident | 85.9 | Confident | 85 Ų | 85 | 43.1 Ų | 43.1 | 32% | 0.321 | 21% | 0.205 | S | C | . | . | trans | -134.4 | 96.8 | -176.3 | -65.4 | -169 | -175.9 | 177.7 | 4.6 | 111 | L1199 T1200 E1205 I1206 | L1199-R1203 PolarHBondContact O-N 3.08Å; T1200-R1203 CarbonylContact O-C 3.58Å; R1203-E1205 VanDerWaalsContact CA-OE2 3.3Å; R1203-E1205 WeakPolarHBondContact CA-OE2 3.41Å; R1203-E1205 VanDerWaalsContact CB-OE2 3.32Å; R1203-E1205 WeakPolarHBondContact CB-OE2 3.26Å; R1203-E1205 PolarHBondContact O-N 3.04Å; R1203-E1205 VanDerWaalsContact O-N 3.12Å; R1203-I1206 HydrophobicContact CB-CD1 3.83Å; R1203-I1206 HydrophobicContact CB-CG1 3.96Å; R1203-I1206 WeakPolarHBondContact O-CB 3.29Å; R1203-I1206 PolarHBondContact O-N 3.35Å | ||
| 1204 | P | 82.9 | Confident | 85.8 | Confident | 83 Ų | 83 | 43.7 Ų | 43.7 | 54% | 0.539 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64 | -17.8 | -177 | 27.8 | -35.7 | 0 | 0 | 0 | 113.4 | I1206 E1207 Q1208 | P1204-I1206 PolarHBondContact O-N 3.18Å; P1204-E1207 WeakPolarHBondContact O-CB 3.27Å; P1204-E1207 PolarHBondContact O-N 3.46Å; P1204-E1207 VanDerWaalsContact O-N 3.1Å; P1204-Q1208 PolarHBondContact O-N 3.35Å |
| 1205 | E | 81.2 | Confident | 85.4 | Confident | 65 Ų | 65 | 43.9 Ų | 43.9 | 30% | 0.304 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.2 | -32.2 | 171.7 | -50.2 | 80.8 | -179.4 | 0 | 0 | 111.5 | I1099 R1203 Q1208 L1209 | I1099-E1205 HydrophobicContact CD1-CB 3.93Å; I1099-E1205 HydrophobicContact CG1-CB 3.46Å; I1099-E1205 VanDerWaalsContact CG1-CB 3.46Å; I1099-E1205 HydrophobicContact CG1-CG 4.32Å; R1203-E1205 VanDerWaalsContact CA-OE2 3.3Å; R1203-E1205 WeakPolarHBondContact CA-OE2 3.41Å; R1203-E1205 VanDerWaalsContact CB-OE2 3.32Å; R1203-E1205 WeakPolarHBondContact CB-OE2 3.26Å; R1203-E1205 PolarHBondContact O-N 3.04Å; R1203-E1205 VanDerWaalsContact O-N 3.12Å; E1205-Q1208 PolarHBondContact O-N 3.36Å; E1205-L1209 WeakPolarHBondContact O-CB 3.26Å; E1205-L1209 PolarHBondContact O-N 3.43Å |
| 1206 | I | 83.6 | Confident | 85.3 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.3 | -36.5 | 174.5 | -57.1 | 178.5 | 0 | 0 | 0 | 110.2 | L1103 L1107 L1199 R1203 P1204 Q1208 L1209 L1210 | L1103-I1206 HydrophobicContact CD2-CD1 3.72Å; L1107-I1206 HydrophobicContact CD1-CD1 3.99Å; L1107-I1206 HydrophobicContact CD1-CG2 4.41Å; L1199-I1206 HydrophobicContact CB-CD1 4.04Å; R1203-I1206 HydrophobicContact CB-CD1 3.83Å; R1203-I1206 HydrophobicContact CB-CG1 3.96Å; R1203-I1206 WeakPolarHBondContact O-CB 3.29Å; R1203-I1206 PolarHBondContact O-N 3.35Å; P1204-I1206 PolarHBondContact O-N 3.18Å; I1206-Q1208 VanDerWaalsContact C-N 3.3Å; I1206-Q1208 PolarHBondContact O-N 3.03Å; I1206-L1209 PolarHBondContact O-N 3.25Å; I1206-L1210 HydrophobicContact CG2-CD1 4.35Å; I1206-L1210 WeakPolarHBondContact O-CG 3.19Å; I1206-L1210 PolarHBondContact O-N 3.42Å |
| 1207 | E | 83.5 | Confident | 85.3 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 24% | 0.243 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 171.4 | -152.1 | -151.5 | 149.1 | 0 | 0 | 110.7 | T1200 P1204 L1210 R1211 R1493 | T1200-E1207 HydrophobicContact CG2-CB 3.57Å; T1200-E1207 HydrophobicContact CG2-CG 3.61Å; P1204-E1207 WeakPolarHBondContact O-CB 3.27Å; P1204-E1207 PolarHBondContact O-N 3.46Å; P1204-E1207 VanDerWaalsContact O-N 3.1Å; E1207-L1210 PolarHBondContact O-N 3.28Å; E1207-R1211 WeakPolarHBondContact O-CB 3.42Å; E1207-R1211 VanDerWaalsContact O-CG 3.25Å; E1207-R1211 WeakPolarHBondContact O-CG 3.48Å; E1207-R1211 PolarHBondContact O-N 2.95Å; E1207-R1211 IonicContact OE1-CZ 2.8Å; E1207-R1211 IonicContact OE1-NE 2.71Å; E1207-R1211 PolarHBondContact OE1-NE 2.98Å; E1207-R1211 IonicContact OE1-NH2 3.91Å; E1207-R1211 PolarHBondContact OE1-NH2 3.29Å; E1207-R1211 IonicContact OE2-NE 3.41Å; E1207-R1211 IonicContact OE2-NH2 3.88Å; E1207-R1211 PolarHBondContact OE2-NH2 3.3Å; E1207-R1493 IonicContact OE1-CZ 3.74Å; E1207-R1493 IonicContact OE1-NH2 3.23Å; E1207-R1493 PolarHBondContact OE1-NH2 3.48Å |
| 1208 | Q | 82.5 | Confident | 85.1 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 177.6 | -169.2 | 55.9 | 42.9 | 0 | 0 | 112.3 | L1097 P1204 E1205 I1206 R1211 N1212 | L1097-Q1208 HydrophobicContact CD2-CG 4.38Å; P1204-Q1208 PolarHBondContact O-N 3.35Å; E1205-Q1208 PolarHBondContact O-N 3.36Å; I1206-Q1208 VanDerWaalsContact C-N 3.3Å; I1206-Q1208 PolarHBondContact O-N 3.03Å; Q1208-R1211 PolarHBondContact O-N 2.92Å; Q1208-N1212 PolarHBondContact NE2-OD1 2.83Å; Q1208-N1212 WeakPolarHBondContact O-CB 3.4Å; Q1208-N1212 PolarHBondContact O-N 2.7Å; Q1208-N1212 PolarHBondContact O-ND2 2.89Å; Q1208-N1212 PolarHBondContact O-OD1 3.2Å |
| 1209 | L | 84.5 | Confident | 85.3 | Confident | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.068 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -48.4 | 172.5 | -175.8 | 69.1 | 0 | 0 | 0 | 111.5 | I1088 L1097 I1099 L1104 E1205 I1206 R1211 N1212 F1213 | I1088-L1209 HydrophobicContact CG2-CD1 3.89Å; L1097-L1209 HydrophobicContact CD1-CD1 4.27Å; I1099-L1209 HydrophobicContact CD1-CB 4.36Å; I1099-L1209 HydrophobicContact CD1-CD2 4.44Å; L1104-L1209 HydrophobicContact CD1-CD2 3.45Å; L1104-L1209 VanDerWaalsContact CD1-CD2 3.45Å; L1104-L1209 HydrophobicContact CD2-CD2 4.34Å; E1205-L1209 WeakPolarHBondContact O-CB 3.26Å; E1205-L1209 PolarHBondContact O-N 3.43Å; I1206-L1209 PolarHBondContact O-N 3.25Å; L1209-R1211 PolarHBondContact O-N 2.71Å; L1209-N1212 WeakPolarHBondContact O-CB 3.48Å; L1209-N1212 PolarHBondContact O-N 2.7Å; L1209-F1213 PolarHBondContact O-N 3.22Å |
| 1210 | L | 87.3 | Confident | 85.5 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 177.3 | -69.9 | 173.2 | 0 | 0 | 0 | 111.8 | F1085 I1196 I1206 E1207 F1213 E1214 F1223 | F1085-L1210 HydrophobicContact CE2-CD2 4.08Å; F1085-L1210 HydrophobicContact CZ-CD2 4.4Å; I1196-L1210 HydrophobicContact CG2-CD1 3.87Å; I1206-L1210 HydrophobicContact CG2-CD1 4.35Å; I1206-L1210 WeakPolarHBondContact O-CG 3.19Å; I1206-L1210 PolarHBondContact O-N 3.42Å; E1207-L1210 PolarHBondContact O-N 3.28Å; L1210-F1213 PolarHBondContact O-N 3.08Å; L1210-E1214 WeakPolarHBondContact O-CB 3.28Å; L1210-E1214 WeakPolarHBondContact O-CG 3.44Å; L1210-E1214 PolarHBondContact O-N 3.03Å; L1210-F1223 HydrophobicContact CD2-CD1 3.9Å; L1210-F1223 HydrophobicContact CD2-CD2 4.33Å; L1210-F1223 HydrophobicContact CD2-CE1 4.01Å; L1210-F1223 HydrophobicContact CD2-CE2 4.42Å; L1210-F1223 HydrophobicContact CD2-CG 4.07Å; L1210-F1223 HydrophobicContact CD2-CZ 4.26Å |
| 1211 | R | 84.3 | Confident | 85.8 | Confident | 58 Ų | 58 | 49.4 Ų | 49.4 | 22% | 0.219 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 171.3 | -75.3 | 173.7 | -177.3 | -135 | 12.8 | 112 | E1207 Q1208 L1209 F1213 E1214 A1215 M1490 | E1207-R1211 WeakPolarHBondContact O-CB 3.42Å; E1207-R1211 VanDerWaalsContact O-CG 3.25Å; E1207-R1211 WeakPolarHBondContact O-CG 3.48Å; E1207-R1211 PolarHBondContact O-N 2.95Å; E1207-R1211 IonicContact OE1-CZ 2.8Å; E1207-R1211 IonicContact OE1-NE 2.71Å; E1207-R1211 PolarHBondContact OE1-NE 2.98Å; E1207-R1211 IonicContact OE1-NH2 3.91Å; E1207-R1211 PolarHBondContact OE1-NH2 3.29Å; E1207-R1211 IonicContact OE2-NE 3.41Å; E1207-R1211 IonicContact OE2-NH2 3.88Å; E1207-R1211 PolarHBondContact OE2-NH2 3.3Å; Q1208-R1211 PolarHBondContact O-N 2.92Å; L1209-R1211 PolarHBondContact O-N 2.71Å; R1211-F1213 VanDerWaalsContact C-N 3.27Å; R1211-F1213 PolarHBondContact O-N 3.27Å; R1211-E1214 PolarHBondContact O-N 3.09Å; R1211-A1215 WeakPolarHBondContact O-CB 3.28Å; R1211-A1215 PolarHBondContact O-N 3.19Å; R1211-A1215 VanDerWaalsContact O-N 3.13Å; R1211-M1490 VanDerWaalsContact NH1-CE 3.3Å; R1211-M1490 PolarHBondContact NH1-SD 3.34Å; R1211-M1490 VanDerWaalsContact NH1-SD 3.36Å |
| 1212 | N | 83.7 | Confident | 86.2 | Confident | 57 Ų | 57 | 45.1 Ų | 45.1 | 31% | 0.305 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.1 | -31.8 | 178.1 | -72 | -11.4 | 0 | 0 | 0 | 111.9 | Q1208 L1209 Q1216 | Q1208-N1212 PolarHBondContact NE2-OD1 2.83Å; Q1208-N1212 WeakPolarHBondContact O-CB 3.4Å; Q1208-N1212 PolarHBondContact O-N 2.7Å; Q1208-N1212 PolarHBondContact O-ND2 2.89Å; Q1208-N1212 PolarHBondContact O-OD1 3.2Å; L1209-N1212 WeakPolarHBondContact O-CB 3.48Å; L1209-N1212 PolarHBondContact O-N 2.7Å; N1212-Q1216 WeakPolarHBondContact O-CG 3.25Å; N1212-Q1216 PolarHBondContact O-NE2 3.3Å |
| 1213 | F | 88.6 | Confident | 86.7 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.6 | -47.9 | 174.7 | -172.3 | -109.3 | 0 | 0 | 0 | 113 | V1080 H1084 F1085 I1088 L1209 L1210 R1211 A1215 Q1216 Y1218 C1219 F1223 | V1080-F1213 HydrophobicContact CG1-CE1 3.95Å; V1080-F1213 HydrophobicContact CG1-CZ 3.69Å; V1080-F1213 WeakPolarHBondContact O-CZ 3.48Å; H1084-F1213 HydrophobicContact CB-CE2 4.38Å; F1085-F1213 HydrophobicContact CB-CE2 4.05Å; F1085-F1213 HydrophobicContact CB-CZ 3.84Å; F1085-F1213 HydrophobicContact CD2-CD1 4.02Å; F1085-F1213 HydrophobicContact CD2-CD2 4.04Å; F1085-F1213 AromaticContact CD2-CE1 3.99Å; F1085-F1213 HydrophobicContact CD2-CE1 3.99Å; F1085-F1213 AromaticContact CD2-CE2 3.96Å; F1085-F1213 HydrophobicContact CD2-CE2 3.96Å; F1085-F1213 HydrophobicContact CD2-CG 4.04Å; F1085-F1213 AromaticContact CD2-CZ 3.95Å; F1085-F1213 HydrophobicContact CD2-CZ 3.95Å; F1085-F1213 HydrophobicContact CG-CZ 4.39Å; I1088-F1213 HydrophobicContact CD1-CD2 3.35Å; I1088-F1213 HydrophobicContact CD1-CE2 3.72Å; L1209-F1213 PolarHBondContact O-N 3.22Å; L1210-F1213 PolarHBondContact O-N 3.08Å; R1211-F1213 VanDerWaalsContact C-N 3.27Å; R1211-F1213 PolarHBondContact O-N 3.27Å; F1213-A1215 PolarHBondContact O-N 3.33Å; F1213-A1215 VanDerWaalsContact O-N 3.16Å; F1213-Q1216 WeakPolarHBondContact O-CB 3.49Å; F1213-Q1216 WeakPolarHBondContact O-CG 3.37Å; F1213-Q1216 PolarHBondContact O-N 3.33Å; F1213-Y1218 HydrophobicContact CD2-CE2 4.25Å; F1213-Y1218 AromaticContact CE2-CE2 3.59Å; F1213-Y1218 HydrophobicContact CE2-CE2 3.59Å; F1213-Y1218 HydrophobicContact CZ-CE2 4.01Å; F1213-C1219 HydrophobicContact CD1-CB 4.44Å; F1213-C1219 VanDerWaalsContact CD1-SG 3.56Å; F1213-C1219 HydrophobicContact CE1-CB 4.31Å; F1213-C1219 WeakPolarHBondContact CE1-SG 3.49Å; F1213-C1219 WeakPolarHBondContact O-CB 3.34Å; F1213-F1223 AromaticContact CD1-CD2 3.71Å; F1213-F1223 HydrophobicContact CD1-CD2 3.71Å; F1213-F1223 HydrophobicContact CD1-CE2 4.34Å; F1213-F1223 AromaticContact CE1-CD2 3.7Å; F1213-F1223 HydrophobicContact CE1-CD2 3.7Å; F1213-F1223 HydrophobicContact CE1-CE2 4.16Å |
| 1214 | E | 89.3 | Confident | 87.2 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.1 | -16.1 | 176.8 | -71.1 | -179.3 | 136.2 | 0 | 0 | 113.4 | L1210 R1211 P1222 F1223 R1290 | L1210-E1214 WeakPolarHBondContact O-CB 3.28Å; L1210-E1214 WeakPolarHBondContact O-CG 3.44Å; L1210-E1214 PolarHBondContact O-N 3.03Å; R1211-E1214 PolarHBondContact O-N 3.09Å; E1214-P1222 WeakPolarHBondContact OE1-CA 3.06Å; E1214-F1223 HydrophobicContact CG-CB 3.9Å; E1214-F1223 PolarHBondContact OE1-N 3.16Å; E1214-R1290 IonicContact OE1-NH2 2.66Å; E1214-R1290 IonicContact OE2-CZ 3.88Å; E1214-R1290 IonicContact OE2-NH1 3.15Å; E1214-R1290 IonicContact OE2-NH2 3.09Å; E1214-R1290 PolarHBondContact OE2-NH2 2.96Å |
| 1215 | A | 85 | Confident | 87.7 | Confident | 27 Ų | 27 | 33.7 Ų | 33.7 | 22% | 0.223 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -8.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114 | R1211 F1213 L1491 | R1211-A1215 WeakPolarHBondContact O-CB 3.28Å; R1211-A1215 PolarHBondContact O-N 3.19Å; R1211-A1215 VanDerWaalsContact O-N 3.13Å; F1213-A1215 PolarHBondContact O-N 3.33Å; F1213-A1215 VanDerWaalsContact O-N 3.16Å; A1215-L1491 HydrophobicContact CB-CB 3.74Å; A1215-L1491 HydrophobicContact CB-CD2 3.61Å; A1215-L1491 HydrophobicContact CB-CG 4.29Å |
| 1216 | Q | 87.7 | Confident | 88.3 | Confident | 81 Ų | 81 | 30.6 Ų | 30.6 | 38% | 0.379 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -76.7 | 138.5 | 178.6 | -58.3 | -55.6 | -36.1 | 0 | 0 | 111.4 | N1212 F1213 Y1218 C1219 | N1212-Q1216 WeakPolarHBondContact O-CG 3.25Å; N1212-Q1216 PolarHBondContact O-NE2 3.3Å; F1213-Q1216 WeakPolarHBondContact O-CB 3.49Å; F1213-Q1216 WeakPolarHBondContact O-CG 3.37Å; F1213-Q1216 PolarHBondContact O-N 3.33Å; Q1216-Y1218 HydrophobicContact CB-CD1 4.16Å; Q1216-Y1218 HydrophobicContact CB-CD2 4.26Å; Q1216-Y1218 HydrophobicContact CB-CE1 3.72Å; Q1216-Y1218 HydrophobicContact CB-CE2 3.8Å; Q1216-Y1218 HydrophobicContact CB-CG 4.41Å; Q1216-Y1218 HydrophobicContact CG-CE1 4.19Å; Q1216-Y1218 HydrophobicContact CG-CE2 4.36Å; Q1216-Y1218 PolarHBondContact O-N 2.93Å; Q1216-Y1218 VanDerWaalsContact O-N 3.13Å; Q1216-C1219 HydrophobicContact CB-CB 4.39Å; Q1216-C1219 WeakPolarHBondContact O-CA 3.42Å; Q1216-C1219 WeakPolarHBondContact O-CB 3.42Å; Q1216-C1219 PolarHBondContact O-N 3.28Å |
| 1217 | K | 87.9 | Confident | 88.9 | Confident | 164 Ų | 164 | 30.5 Ų | 30.5 | 71% | 0.713 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.1 | -173.4 | -66.1 | -174.1 | 177.5 | 179.4 | 0 | 114.6 | C1557 P1558 | K1217-C1557 VanDerWaalsContact C-CB 3.47Å; K1217-C1557 HydrophobicContact CB-CB 3.65Å; K1217-C1557 WeakPolarHBondContact O-CB 3.35Å; K1217-P1558 WeakPolarHBondContact O-CD 3.15Å |
| 1218 | Y | 87.3 | Confident | 89.5 | Confident | 49 Ų | 49 | 28 Ų | 28 | 19% | 0.192 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -24.9 | 172.8 | 54.9 | -107 | 0 | 0 | 0 | 112.3 | V1080 H1084 F1213 Q1216 Y1220 | V1080-Y1218 HydrophobicContact CG1-CD2 4.49Å; H1084-Y1218 HydrophobicContact CB-CD2 4.11Å; H1084-Y1218 HydrophobicContact CB-CE2 3.64Å; H1084-Y1218 AromaticContact CD2-CD1 3.71Å; H1084-Y1218 AromaticContact CD2-CD2 3.71Å; H1084-Y1218 AromaticContact CD2-CE1 3.83Å; H1084-Y1218 AromaticContact CD2-CE2 3.85Å; H1084-Y1218 AromaticContact CD2-CG 3.64Å; H1084-Y1218 AromaticContact CD2-CZ 3.89Å; F1213-Y1218 HydrophobicContact CD2-CE2 4.25Å; F1213-Y1218 AromaticContact CE2-CE2 3.59Å; F1213-Y1218 HydrophobicContact CE2-CE2 3.59Å; F1213-Y1218 HydrophobicContact CZ-CE2 4.01Å; Q1216-Y1218 HydrophobicContact CB-CD1 4.16Å; Q1216-Y1218 HydrophobicContact CB-CD2 4.26Å; Q1216-Y1218 HydrophobicContact CB-CE1 3.72Å; Q1216-Y1218 HydrophobicContact CB-CE2 3.8Å; Q1216-Y1218 HydrophobicContact CB-CG 4.41Å; Q1216-Y1218 HydrophobicContact CG-CE1 4.19Å; Q1216-Y1218 HydrophobicContact CG-CE2 4.36Å; Q1216-Y1218 PolarHBondContact O-N 2.93Å; Q1216-Y1218 VanDerWaalsContact O-N 3.13Å; Y1218-Y1220 PolarHBondContact O-N 2.82Å |
| 1219 | C | 91.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.027 | 12% | 0.121 | C | C | . | . | trans | -81.9 | 63 | 175.1 | -159 | 0 | 0 | 0 | 0 | 110.1 | F1213 Q1216 L1221 | F1213-C1219 HydrophobicContact CD1-CB 4.44Å; F1213-C1219 VanDerWaalsContact CD1-SG 3.56Å; F1213-C1219 HydrophobicContact CE1-CB 4.31Å; F1213-C1219 WeakPolarHBondContact CE1-SG 3.49Å; F1213-C1219 WeakPolarHBondContact O-CB 3.34Å; Q1216-C1219 HydrophobicContact CB-CB 4.39Å; Q1216-C1219 WeakPolarHBondContact O-CA 3.42Å; Q1216-C1219 WeakPolarHBondContact O-CB 3.42Å; Q1216-C1219 PolarHBondContact O-N 3.28Å; C1219-L1221 PolarHBondContact O-N 2.84Å; C1219-L1221 VanDerWaalsContact O-N 3.09Å | ||
| 1220 | Y | 91.4 | Very high | 90.7 | Very high | 19 Ų | 19 | 25 Ų | 25 | 8% | 0.075 | 12% | 0.118 | C | C | . | . | trans | -75.3 | 4.1 | -169.3 | 77.2 | -84.2 | 0 | 0 | 0 | 115.1 | N1077 Y1218 F1226 T1543 F1548 | N1077-Y1220 WeakPolarHBondContact OD1-CE1 3.42Å; N1077-Y1220 PolarHBondContact OD1-OH 3.16Å; Y1218-Y1220 PolarHBondContact O-N 2.82Å; Y1220-F1226 HydrophobicContact CD1-CZ 4.21Å; Y1220-F1226 HydrophobicContact CE1-CE1 4.17Å; Y1220-F1226 HydrophobicContact CE1-CZ 4.26Å; Y1220-T1543 HydrophobicContact CE2-CG2 3.93Å; Y1220-F1548 AromaticContact CD2-CD1 3.6Å; Y1220-F1548 HydrophobicContact CD2-CD1 3.6Å; Y1220-F1548 HydrophobicContact CD2-CD2 4.01Å; Y1220-F1548 AromaticContact CD2-CE1 3.65Å; Y1220-F1548 HydrophobicContact CD2-CE1 3.65Å; Y1220-F1548 HydrophobicContact CD2-CE2 4.06Å; Y1220-F1548 AromaticContact CD2-CG 3.77Å; Y1220-F1548 HydrophobicContact CD2-CG 3.77Å; Y1220-F1548 AromaticContact CD2-CZ 3.88Å; Y1220-F1548 HydrophobicContact CD2-CZ 3.88Å; Y1220-F1548 HydrophobicContact CE2-CD1 4.28Å; Y1220-F1548 AromaticContact CE2-CD2 3.88Å; Y1220-F1548 HydrophobicContact CE2-CD2 3.88Å; Y1220-F1548 HydrophobicContact CE2-CE1 4.43Å; Y1220-F1548 HydrophobicContact CE2-CE2 4.03Å; Y1220-F1548 HydrophobicContact CE2-CG 4Å; Y1220-F1548 HydrophobicContact CE2-CZ 4.3Å; Y1220-F1548 WeakPolarHBondContact O-CE1 3.35Å | ||
| 1221 | L | 91.9 | Very high | 91 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -138.9 | 157.4 | 177.6 | -61.5 | 172.8 | 0 | 0 | 0 | 108.4 | C1219 V1225 F1226 T1543 Q1544 F1548 | C1219-L1221 PolarHBondContact O-N 2.84Å; C1219-L1221 VanDerWaalsContact O-N 3.09Å; L1221-V1225 HydrophobicContact CB-CB 4.24Å; L1221-V1225 HydrophobicContact CB-CG1 4.37Å; L1221-V1225 HydrophobicContact CD1-CG1 3.94Å; L1221-F1226 HydrophobicContact CB-CE2 3.93Å; L1221-F1226 HydrophobicContact CB-CZ 3.99Å; L1221-F1226 HydrophobicContact CD1-CE1 4.49Å; L1221-F1226 HydrophobicContact CD1-CZ 4.46Å; L1221-F1226 HydrophobicContact CG-CZ 4.43Å; L1221-F1226 WeakPolarHBondContact O-CE2 3.32Å; L1221-T1543 HydrophobicContact CD1-CG2 4.25Å; L1221-T1543 HydrophobicContact CD2-CG2 4.3Å; L1221-Q1544 HydrophobicContact CD2-CB 4.48Å; L1221-Q1544 HydrophobicContact CD2-CG 4.43Å; L1221-F1548 HydrophobicContact CD2-CE2 4.01Å; L1221-F1548 HydrophobicContact CD2-CZ 3.73Å |
| 1222 | P | 91.2 | Very high | 91.6 | Very high | 23 Ų | 23 | 22 Ų | 22 | 15% | 0.149 | 11% | 0.107 | C | C | . | . | trans | -55.2 | 144.1 | 170.8 | -23.6 | 33.9 | 0 | 0 | 0 | 111.8 | E1214 Y1224 V1225 | E1214-P1222 WeakPolarHBondContact OE1-CA 3.06Å; P1222-Y1224 PolarHBondContact O-N 3.32Å; P1222-V1225 HydrophobicContact CB-CG2 4.19Å; P1222-V1225 HydrophobicContact CG-CG2 4.38Å; P1222-V1225 VanDerWaalsContact O-CB 3.3Å; P1222-V1225 WeakPolarHBondContact O-CB 3.48Å; P1222-V1225 PolarHBondContact O-N 3.43Å | ||
| 1223 | F | 92 | Very high | 92.2 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -50.8 | -166.7 | 171.4 | -104.4 | 0 | 0 | 0 | 113.1 | I1081 F1085 L1111 I1196 L1210 F1213 E1214 V1225 F1226 | I1081-F1223 HydrophobicContact CG1-CE2 4.45Å; F1085-F1223 HydrophobicContact CD2-CD2 4.48Å; F1085-F1223 AromaticContact CD2-CE2 3.75Å; F1085-F1223 HydrophobicContact CD2-CE2 3.75Å; F1085-F1223 HydrophobicContact CD2-CZ 4.47Å; F1085-F1223 AromaticContact CE2-CE2 3.79Å; F1085-F1223 HydrophobicContact CE2-CE2 3.79Å; F1085-F1223 HydrophobicContact CE2-CZ 4.17Å; F1085-F1223 HydrophobicContact CG-CE2 4.18Å; F1085-F1223 HydrophobicContact CZ-CE2 4.25Å; F1085-F1223 HydrophobicContact CZ-CZ 4.19Å; L1111-F1223 HydrophobicContact CD1-CZ 3.83Å; I1196-F1223 HydrophobicContact CD1-CE1 4.21Å; L1210-F1223 HydrophobicContact CD2-CD1 3.9Å; L1210-F1223 HydrophobicContact CD2-CD2 4.33Å; L1210-F1223 HydrophobicContact CD2-CE1 4.01Å; L1210-F1223 HydrophobicContact CD2-CE2 4.42Å; L1210-F1223 HydrophobicContact CD2-CG 4.07Å; L1210-F1223 HydrophobicContact CD2-CZ 4.26Å; F1213-F1223 AromaticContact CD1-CD2 3.71Å; F1213-F1223 HydrophobicContact CD1-CD2 3.71Å; F1213-F1223 HydrophobicContact CD1-CE2 4.34Å; F1213-F1223 AromaticContact CE1-CD2 3.7Å; F1213-F1223 HydrophobicContact CE1-CD2 3.7Å; F1213-F1223 HydrophobicContact CE1-CE2 4.16Å; E1214-F1223 HydrophobicContact CG-CB 3.9Å; E1214-F1223 PolarHBondContact OE1-N 3.16Å; F1223-V1225 PolarHBondContact O-N 3.29Å; F1223-V1225 VanDerWaalsContact O-N 3.13Å; F1223-F1226 PolarHBondContact O-N 3.47Å; F1223-F1226 VanDerWaalsContact O-N 3.1Å |
| 1224 | Y | 93.2 | Very high | 92.5 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 2% | 0.02 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -20.3 | -179.1 | -63.2 | -45.8 | 0 | 0 | 0 | 113.9 | M1193 I1196 E1197 P1222 F1226 L1227 Y1283 L1286 | M1193-Y1224 HydrophobicContact CG-CD1 3.76Å; M1193-Y1224 HydrophobicContact CG-CE1 3.95Å; M1193-Y1224 HydrophobicContact CG-CG 4.14Å; M1193-Y1224 HydrophobicContact SD-CG 4.4Å; I1196-Y1224 HydrophobicContact CB-CE1 4.33Å; I1196-Y1224 HydrophobicContact CG2-CE1 3.97Å; E1197-Y1224 PolarHBondContact OE2-OH 3.36Å; P1222-Y1224 PolarHBondContact O-N 3.32Å; Y1224-F1226 VanDerWaalsContact C-N 3.25Å; Y1224-F1226 PolarHBondContact O-N 3.01Å; Y1224-L1227 HydrophobicContact CD1-CD1 4.25Å; Y1224-L1227 WeakPolarHBondContact O-CB 3.3Å; Y1224-L1227 PolarHBondContact O-N 3.44Å; Y1224-L1227 VanDerWaalsContact O-N 3.13Å; Y1224-Y1283 VanDerWaalsContact CB-CD2 3.44Å; Y1224-Y1283 HydrophobicContact CD2-CD2 4.16Å; Y1224-Y1283 HydrophobicContact CG-CD2 4.29Å; Y1224-L1286 HydrophobicContact CE2-CD1 4.21Å |
| 1225 | V | 94.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.7 | -28.3 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | L1221 P1222 F1223 L1227 L1228 K1229 Y1283 Q1544 | L1221-V1225 HydrophobicContact CB-CB 4.24Å; L1221-V1225 HydrophobicContact CB-CG1 4.37Å; L1221-V1225 HydrophobicContact CD1-CG1 3.94Å; P1222-V1225 HydrophobicContact CB-CG2 4.19Å; P1222-V1225 HydrophobicContact CG-CG2 4.38Å; P1222-V1225 VanDerWaalsContact O-CB 3.3Å; P1222-V1225 WeakPolarHBondContact O-CB 3.48Å; P1222-V1225 PolarHBondContact O-N 3.43Å; F1223-V1225 PolarHBondContact O-N 3.29Å; F1223-V1225 VanDerWaalsContact O-N 3.13Å; V1225-L1227 PolarHBondContact O-N 2.59Å; V1225-L1228 PolarHBondContact O-N 3.46Å; V1225-L1228 VanDerWaalsContact O-N 3.11Å; V1225-K1229 PolarHBondContact O-N 3Å; V1225-Y1283 HydrophobicContact CG2-CE1 3.76Å; V1225-Y1283 HydrophobicContact CG2-CE2 3.98Å; V1225-Y1283 VanDerWaalsContact CG2-CZ 3.43Å; V1225-Y1283 WeakPolarHBondContact CG2-OH 3.37Å; V1225-Q1544 HydrophobicContact CG1-CG 3.99Å |
| 1226 | F | 94.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 0% | 0.004 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.7 | -26.4 | 174.9 | -67.1 | -78 | 0 | 0 | 0 | 112.2 | N1077 V1080 I1081 Y1220 L1221 F1223 Y1224 L1228 K1229 | N1077-F1226 HydrophobicContact CB-CD1 4.11Å; N1077-F1226 HydrophobicContact CB-CE1 4.27Å; N1077-F1226 WeakPolarHBondContact O-CD1 3.48Å; V1080-F1226 HydrophobicContact CB-CD1 4.14Å; V1080-F1226 HydrophobicContact CB-CE1 4.01Å; V1080-F1226 HydrophobicContact CB-CZ 4.26Å; V1080-F1226 HydrophobicContact CG1-CD1 4.39Å; V1080-F1226 HydrophobicContact CG1-CD2 4.17Å; V1080-F1226 HydrophobicContact CG1-CE1 4.19Å; V1080-F1226 HydrophobicContact CG1-CE2 3.94Å; V1080-F1226 HydrophobicContact CG1-CG 4.4Å; V1080-F1226 HydrophobicContact CG1-CZ 3.95Å; V1080-F1226 HydrophobicContact CG2-CD1 4.38Å; V1080-F1226 HydrophobicContact CG2-CE1 3.8Å; V1080-F1226 HydrophobicContact CG2-CZ 4.05Å; I1081-F1226 HydrophobicContact CD1-CB 3.7Å; I1081-F1226 HydrophobicContact CG1-CB 4.2Å; Y1220-F1226 HydrophobicContact CD1-CZ 4.21Å; Y1220-F1226 HydrophobicContact CE1-CE1 4.17Å; Y1220-F1226 HydrophobicContact CE1-CZ 4.26Å; L1221-F1226 HydrophobicContact CB-CE2 3.93Å; L1221-F1226 HydrophobicContact CB-CZ 3.99Å; L1221-F1226 HydrophobicContact CD1-CE1 4.49Å; L1221-F1226 HydrophobicContact CD1-CZ 4.46Å; L1221-F1226 HydrophobicContact CG-CZ 4.43Å; L1221-F1226 WeakPolarHBondContact O-CE2 3.32Å; F1223-F1226 PolarHBondContact O-N 3.47Å; F1223-F1226 VanDerWaalsContact O-N 3.1Å; Y1224-F1226 VanDerWaalsContact C-N 3.25Å; Y1224-F1226 PolarHBondContact O-N 3.01Å; F1226-L1228 VanDerWaalsContact C-N 3.33Å; F1226-K1229 WeakPolarHBondContact O-CB 3.43Å; F1226-K1229 PolarHBondContact O-N 3.45Å |
| 1227 | L | 94.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 15.6 Ų | 15.6 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -74.1 | -21.3 | 172.1 | -54.8 | 179.9 | 0 | 0 | 0 | 113.2 | I1081 L1111 L1115 Y1185 M1193 Y1224 V1225 P1230 | I1081-L1227 HydrophobicContact CD1-CD2 3.62Å; I1081-L1227 HydrophobicContact CD1-CG 4.41Å; L1111-L1227 HydrophobicContact CD2-CD1 4.38Å; L1111-L1227 HydrophobicContact CD2-CD2 3.82Å; L1115-L1227 HydrophobicContact CD1-CD2 4.04Å; Y1185-L1227 WeakPolarHBondContact OH-CA 3.2Å; Y1185-L1227 PolarHBondContact OH-O 2.91Å; M1193-L1227 HydrophobicContact CB-CD1 4.35Å; M1193-L1227 HydrophobicContact CE-CB 4.11Å; M1193-L1227 HydrophobicContact CE-CD1 4.06Å; Y1224-L1227 HydrophobicContact CD1-CD1 4.25Å; Y1224-L1227 WeakPolarHBondContact O-CB 3.3Å; Y1224-L1227 PolarHBondContact O-N 3.44Å; Y1224-L1227 VanDerWaalsContact O-N 3.13Å; V1225-L1227 PolarHBondContact O-N 2.59Å; L1227-P1230 WeakPolarHBondContact O-CD 3.44Å |
| 1228 | L | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -82.5 | -18.7 | 175.2 | -56.7 | 173.8 | 0 | 0 | 0 | 112.1 | M1193 V1225 F1226 M1231 H1232 M1279 E1280 Y1283 | M1193-L1228 HydrophobicContact CE-CD2 4.41Å; V1225-L1228 PolarHBondContact O-N 3.46Å; V1225-L1228 VanDerWaalsContact O-N 3.11Å; F1226-L1228 VanDerWaalsContact C-N 3.33Å; L1228-M1231 PolarHBondContact O-N 2.98Å; L1228-H1232 PolarHBondContact O-CD2 3.31Å; L1228-H1232 PolarHBondContact O-N 3.25Å; L1228-M1279 HydrophobicContact CD2-CE 4.12Å; L1228-M1279 HydrophobicContact CD2-CG 3.83Å; L1228-M1279 HydrophobicContact CD2-SD 4.42Å; L1228-E1280 HydrophobicContact CD1-CG 4.47Å; L1228-E1280 HydrophobicContact CD2-CB 4.42Å; L1228-Y1283 HydrophobicContact CD1-CD1 3.61Å; L1228-Y1283 HydrophobicContact CD1-CE1 4.37Å; L1228-Y1283 HydrophobicContact CD1-CG 3.92Å |
| 1229 | K | 96.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 7.5 Ų | 7.5 | 1% | 0.013 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -60.4 | -36.1 | -173.8 | -73.5 | -68 | 170.3 | -144.6 | 0 | 115.7 | Y1074 N1077 V1225 F1226 M1231 H1232 R1233 Q1520 T1543 | Y1074-K1229 HydrophobicContact CD2-CB 4.4Å; Y1074-K1229 HydrophobicContact CE2-CB 4.07Å; Y1074-K1229 WeakPolarHBondContact CE2-O 3.43Å; N1077-K1229 HydrophobicContact CB-CG 4.24Å; V1225-K1229 PolarHBondContact O-N 3Å; F1226-K1229 WeakPolarHBondContact O-CB 3.43Å; F1226-K1229 PolarHBondContact O-N 3.45Å; K1229-M1231 PolarHBondContact O-N 3.33Å; K1229-H1232 PolarHBondContact NZ-ND1 3.16Å; K1229-H1232 PolarHBondContact O-N 2.92Å; K1229-R1233 PolarHBondContact O-N 2.84Å; K1229-Q1520 VanDerWaalsContact NZ-CD 3.31Å; K1229-Q1520 VanDerWaalsContact NZ-NE2 3.17Å; K1229-T1543 PolarHBondContact NZ-OG1 3.14Å |
| 1230 | P | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -57.3 | -47.6 | 176.3 | -29 | 38.6 | 0 | 0 | 0 | 112.9 | Y1074 L1078 L1115 Y1182 Y1185 L1227 H1232 R1233 L1234 | Y1074-P1230 VanDerWaalsContact OH-CA 3.3Å; Y1074-P1230 WeakPolarHBondContact OH-CA 3.26Å; L1078-P1230 HydrophobicContact CD2-CG 4.33Å; L1115-P1230 HydrophobicContact CD2-CG 4Å; Y1182-P1230 HydrophobicContact CD1-CB 4.16Å; Y1182-P1230 HydrophobicContact CE1-CB 3.6Å; Y1182-P1230 WeakPolarHBondContact CE1-O 3.43Å; Y1185-P1230 HydrophobicContact CD1-CB 3.94Å; Y1185-P1230 HydrophobicContact CD1-CG 4.14Å; Y1185-P1230 HydrophobicContact CE1-CB 3.87Å; Y1185-P1230 HydrophobicContact CE1-CG 3.65Å; Y1185-P1230 HydrophobicContact CE2-CG 4.37Å; L1227-P1230 WeakPolarHBondContact O-CD 3.44Å; P1230-H1232 PolarHBondContact O-N 3.43Å; P1230-R1233 PolarHBondContact O-N 2.98Å; P1230-R1233 VanDerWaalsContact O-N 3.1Å; P1230-L1234 PolarHBondContact O-N 3.38Å |
| 1231 | M | 95.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 6.7 Ų | 6.7 | 1% | 0.005 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -67.6 | -37.1 | 177.8 | -168.3 | 55.2 | 172.4 | 0 | 0 | 112.3 | L1186 L1228 K1229 R1233 L1234 L1235 I1269 W1273 Y1276 | L1186-M1231 HydrophobicContact CD1-SD 4.03Å; L1186-M1231 HydrophobicContact CD2-CB 3.96Å; L1186-M1231 HydrophobicContact CD2-CG 4.33Å; L1186-M1231 HydrophobicContact CD2-SD 4.24Å; L1228-M1231 PolarHBondContact O-N 2.98Å; K1229-M1231 PolarHBondContact O-N 3.33Å; M1231-R1233 PolarHBondContact O-N 3.21Å; M1231-L1234 PolarHBondContact O-N 3.1Å; M1231-L1234 HydrophobicContact SD-CB 4.24Å; M1231-L1234 HydrophobicContact SD-CD1 3.92Å; M1231-L1235 WeakPolarHBondContact O-CG 3.45Å; M1231-L1235 PolarHBondContact O-N 2.95Å; M1231-L1235 VanDerWaalsContact O-N 3.12Å; M1231-I1269 HydrophobicContact CE-CB 4.42Å; M1231-I1269 HydrophobicContact CE-CG1 4.33Å; M1231-I1269 HydrophobicContact CE-CG2 4.09Å; M1231-W1273 HydrophobicContact CE-CE3 4.33Å; M1231-Y1276 HydrophobicContact CB-CD2 3.68Å; M1231-Y1276 HydrophobicContact CB-CE2 3.99Å; M1231-Y1276 HydrophobicContact CB-CG 4.13Å; M1231-Y1276 HydrophobicContact CE-CD1 4.11Å; M1231-Y1276 HydrophobicContact CE-CG 4.2Å; M1231-Y1276 HydrophobicContact CG-CD1 3.75Å; M1231-Y1276 HydrophobicContact CG-CD2 3.46Å; M1231-Y1276 VanDerWaalsContact CG-CD2 3.46Å; M1231-Y1276 HydrophobicContact CG-CE1 4.18Å; M1231-Y1276 HydrophobicContact CG-CE2 3.95Å; M1231-Y1276 HydrophobicContact CG-CG 3.38Å |
| 1232 | H | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -57.6 | -32.6 | 173.1 | -58.5 | 171.6 | 0 | 0 | 0 | 111.6 | L1228 K1229 P1230 Q1236 Y1276 E1280 N1517 Q1520 Q1544 | L1228-H1232 PolarHBondContact O-CD2 3.31Å; L1228-H1232 PolarHBondContact O-N 3.25Å; K1229-H1232 PolarHBondContact NZ-ND1 3.16Å; K1229-H1232 PolarHBondContact O-N 2.92Å; P1230-H1232 PolarHBondContact O-N 3.43Å; H1232-Q1236 VanDerWaalsContact O-CG 3.27Å; H1232-Q1236 WeakPolarHBondContact O-CG 3.41Å; H1232-Q1236 PolarHBondContact O-N 3.09Å; H1232-Q1236 PolarHBondContact O-NE2 2.88Å; H1232-Y1276 PolarHBondContact CD2-OH 3.08Å; H1232-Y1276 AromaticContact NE2-CE2 3.53Å; H1232-Y1276 AromaticContact NE2-CZ 3.55Å; H1232-Y1276 PolarHBondContact NE2-OH 2.91Å; H1232-E1280 IonicContact CD2-OE2 2.69Å; H1232-E1280 IonicContact CE1-OE1 3.81Å; H1232-E1280 IonicContact CE1-OE2 3.86Å; H1232-E1280 IonicContact NE2-OE1 2.72Å; H1232-E1280 PolarHBondContact NE2-OE1 2.84Å; H1232-E1280 VanDerWaalsContact NE2-OE1 3.13Å; H1232-E1280 IonicContact NE2-OE2 3.75Å; H1232-E1280 PolarHBondContact NE2-OE2 3.2Å; H1232-N1517 PolarHBondContact CE1-OD1 3.27Å; H1232-N1517 PolarHBondContact NE2-ND2 3.27Å; H1232-Q1520 PolarHBondContact ND1-NE2 3.16Å; H1232-Q1544 PolarHBondContact CE1-NE2 3.31Å |
| 1233 | R | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 8.9 Ų | 8.9 | 0% | 0.004 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -73.8 | -39.7 | 177 | -168.7 | 56.5 | 173.8 | 159.8 | -0.1 | 113.2 | L1067 T1070 E1071 Y1074 K1229 P1230 M1231 L1235 Q1236 Y1237 | L1067-R1233 PolarHBondContact O-NH2 2.84Å; L1067-R1233 VanDerWaalsContact O-NH2 3.15Å; T1070-R1233 PolarHBondContact OG1-NH1 3.09Å; T1070-R1233 PolarHBondContact OG1-NH2 2.93Å; E1071-R1233 IonicContact OE2-CZ 2.79Å; E1071-R1233 IonicContact OE2-NE 2.72Å; E1071-R1233 PolarHBondContact OE2-NE 3.17Å; E1071-R1233 IonicContact OE2-NH2 3.84Å; E1071-R1233 PolarHBondContact OE2-NH2 3.03Å; Y1074-R1233 HydrophobicContact CD1-CB 4.21Å; Y1074-R1233 HydrophobicContact CD1-CG 3.73Å; Y1074-R1233 HydrophobicContact CD2-CB 3.93Å; Y1074-R1233 HydrophobicContact CD2-CG 4.25Å; Y1074-R1233 HydrophobicContact CE1-CB 4.07Å; Y1074-R1233 HydrophobicContact CE1-CG 3.87Å; Y1074-R1233 HydrophobicContact CE2-CB 3.82Å; Y1074-R1233 HydrophobicContact CE2-CG 4.41Å; Y1074-R1233 HydrophobicContact CG-CB 4.13Å; Y1074-R1233 HydrophobicContact CG-CG 3.92Å; K1229-R1233 PolarHBondContact O-N 2.84Å; P1230-R1233 PolarHBondContact O-N 2.98Å; P1230-R1233 VanDerWaalsContact O-N 3.1Å; M1231-R1233 PolarHBondContact O-N 3.21Å; R1233-L1235 VanDerWaalsContact C-N 3.31Å; R1233-L1235 PolarHBondContact O-N 3.03Å; R1233-Q1236 PolarHBondContact O-N 2.91Å; R1233-Y1237 HydrophobicContact CG-CE1 4.39Å; R1233-Y1237 HydrophobicContact CG-CE2 4.22Å; R1233-Y1237 PolarHBondContact O-N 2.92Å |
| 1234 | L | 95.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 8.8 Ų | 8.8 | 1% | 0.01 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 174.1 | -61.9 | -173.5 | 0 | 0 | 0 | 111.4 | Y1182 L1186 P1230 M1231 Q1236 Y1237 R1238 L1265 L1268 I1269 | Y1182-L1234 HydrophobicContact CD1-CD1 3.6Å; Y1182-L1234 HydrophobicContact CD1-CD2 3.82Å; Y1182-L1234 HydrophobicContact CD1-CG 3.74Å; Y1182-L1234 HydrophobicContact CD2-CD2 4.12Å; Y1182-L1234 HydrophobicContact CE1-CD1 4.16Å; Y1182-L1234 HydrophobicContact CE1-CD2 3.74Å; Y1182-L1234 HydrophobicContact CE1-CG 3.75Å; Y1182-L1234 HydrophobicContact CE2-CD2 4.07Å; Y1182-L1234 HydrophobicContact CG-CD1 4.02Å; Y1182-L1234 HydrophobicContact CG-CD2 4Å; Y1182-L1234 HydrophobicContact CG-CG 4.32Å; L1186-L1234 HydrophobicContact CD1-CD1 4.33Å; P1230-L1234 PolarHBondContact O-N 3.38Å; M1231-L1234 PolarHBondContact O-N 3.1Å; M1231-L1234 HydrophobicContact SD-CB 4.24Å; M1231-L1234 HydrophobicContact SD-CD1 3.92Å; L1234-Q1236 PolarHBondContact O-N 2.67Å; L1234-Y1237 PolarHBondContact O-N 2.96Å; L1234-R1238 PolarHBondContact O-N 2.96Å; L1234-L1265 HydrophobicContact CB-CD1 4.09Å; L1234-L1265 HydrophobicContact CD2-CD1 3.76Å; L1234-L1265 HydrophobicContact CG-CD1 4.4Å; L1234-L1268 HydrophobicContact CD1-CD2 3.93Å; L1234-I1269 HydrophobicContact CB-CD1 4.08Å; L1234-I1269 HydrophobicContact CB-CG1 4.02Å; L1234-I1269 WeakPolarHBondContact O-CD1 3.38Å |
| 1235 | L | 94 | Very high | 93.4 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 176.2 | -65.1 | 169.7 | 0 | 0 | 0 | 112.2 | M1231 R1233 R1238 V1239 I1269 W1273 Y1276 E1518 | M1231-L1235 WeakPolarHBondContact O-CG 3.45Å; M1231-L1235 PolarHBondContact O-N 2.95Å; M1231-L1235 VanDerWaalsContact O-N 3.12Å; R1233-L1235 VanDerWaalsContact C-N 3.31Å; R1233-L1235 PolarHBondContact O-N 3.03Å; L1235-R1238 WeakPolarHBondContact O-CB 3.35Å; L1235-R1238 PolarHBondContact O-N 3.25Å; L1235-V1239 WeakPolarHBondContact O-CG2 3.3Å; L1235-V1239 PolarHBondContact O-N 3.41Å; L1235-V1239 VanDerWaalsContact O-N 3.1Å; L1235-I1269 HydrophobicContact CD2-CG2 3.9Å; L1235-W1273 HydrophobicContact CD1-CZ3 4.27Å; L1235-W1273 HydrophobicContact CD2-CZ3 4.01Å; L1235-Y1276 HydrophobicContact CD1-CE1 3.94Å; L1235-E1518 HydrophobicContact CB-CG 4.43Å; L1235-E1518 HydrophobicContact CD1-CG 4.35Å |
| 1236 | Q | 93.4 | Very high | 93.1 | Very high | 24 Ų | 24 | 18 Ų | 18 | 11% | 0.112 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.1 | -44.6 | 174.1 | -70.7 | 160.8 | 30.4 | 0 | 0 | 112.2 | H1232 R1233 L1234 R1238 V1239 L1240 | H1232-Q1236 VanDerWaalsContact O-CG 3.27Å; H1232-Q1236 WeakPolarHBondContact O-CG 3.41Å; H1232-Q1236 PolarHBondContact O-N 3.09Å; H1232-Q1236 PolarHBondContact O-NE2 2.88Å; R1233-Q1236 PolarHBondContact O-N 2.91Å; L1234-Q1236 PolarHBondContact O-N 2.67Å; Q1236-R1238 VanDerWaalsContact C-N 3.33Å; Q1236-R1238 PolarHBondContact O-N 2.88Å; Q1236-V1239 PolarHBondContact O-N 2.86Å; Q1236-L1240 VanDerWaalsContact O-CB 3.26Å; Q1236-L1240 WeakPolarHBondContact O-CB 3.41Å; Q1236-L1240 PolarHBondContact O-N 3.47Å |
| 1237 | Y | 94.8 | Very high | 92.3 | Very high | 17 Ų | 17 | 21.4 Ų | 21.4 | 7% | 0.067 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.2 | -41.5 | 176.3 | -74.5 | -21.5 | 0 | 0 | 0 | 112 | L1067 E1071 H1122 F1129 F1172 R1233 L1234 L1240 L1241 | L1067-Y1237 HydrophobicContact CD1-CD1 3.99Å; L1067-Y1237 HydrophobicContact CD1-CE1 3.72Å; E1071-Y1237 PolarHBondContact OE2-OH 2.79Å; E1071-Y1237 VanDerWaalsContact OE2-OH 3.07Å; H1122-Y1237 AromaticContact CE1-CE2 3.91Å; H1122-Y1237 AromaticContact CE1-CZ 3.9Å; H1122-Y1237 PolarHBondContact CE1-OH 3.09Å; H1122-Y1237 VanDerWaalsContact CE1-OH 3.27Å; F1129-Y1237 HydrophobicContact CE2-CE1 4.48Å; F1172-Y1237 AromaticContact CE1-CD1 3.82Å; F1172-Y1237 HydrophobicContact CE1-CD1 3.82Å; F1172-Y1237 HydrophobicContact CE1-CD2 4.45Å; F1172-Y1237 HydrophobicContact CE1-CE1 4.04Å; F1172-Y1237 HydrophobicContact CE1-CG 4.02Å; F1172-Y1237 HydrophobicContact CZ-CD1 4.23Å; F1172-Y1237 HydrophobicContact CZ-CE1 4.46Å; R1233-Y1237 HydrophobicContact CG-CE1 4.39Å; R1233-Y1237 HydrophobicContact CG-CE2 4.22Å; R1233-Y1237 PolarHBondContact O-N 2.92Å; L1234-Y1237 PolarHBondContact O-N 2.96Å; Y1237-L1240 PolarHBondContact O-N 3.32Å; Y1237-L1241 WeakPolarHBondContact O-CB 3.42Å; Y1237-L1241 WeakPolarHBondContact O-CG 3.34Å; Y1237-L1241 PolarHBondContact O-N 3.35Å |
| 1238 | R | 93.5 | Very high | 91.6 | Very high | 35 Ų | 35 | 21.8 Ų | 21.8 | 13% | 0.132 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.9 | -53.2 | 175.8 | -176.8 | -170.8 | 65.9 | 71.3 | -4.2 | 110.8 | L1234 L1235 Q1236 L1240 L1241 E1242 L1265 I1269 E1518 | L1234-R1238 PolarHBondContact O-N 2.96Å; L1235-R1238 WeakPolarHBondContact O-CB 3.35Å; L1235-R1238 PolarHBondContact O-N 3.25Å; Q1236-R1238 VanDerWaalsContact C-N 3.33Å; Q1236-R1238 PolarHBondContact O-N 2.88Å; R1238-L1240 VanDerWaalsContact C-N 3.3Å; R1238-L1240 PolarHBondContact O-N 2.65Å; R1238-L1241 PolarHBondContact O-N 2.79Å; R1238-E1242 VanDerWaalsContact CG-OE1 3.28Å; R1238-E1242 WeakPolarHBondContact CG-OE1 3.4Å; R1238-E1242 IonicContact CZ-OE1 3.76Å; R1238-E1242 IonicContact NH1-OE1 3.77Å; R1238-E1242 PolarHBondContact NH1-OE1 3.13Å; R1238-E1242 IonicContact NH1-OE2 3.14Å; R1238-E1242 PolarHBondContact NH1-OE2 2.97Å; R1238-E1242 WeakPolarHBondContact O-CB 3.43Å; R1238-E1242 WeakPolarHBondContact O-CG 3.35Å; R1238-E1242 PolarHBondContact O-N 2.87Å; R1238-L1265 HydrophobicContact CB-CD2 4.2Å; R1238-I1269 HydrophobicContact CB-CD1 3.72Å; R1238-I1269 HydrophobicContact CG-CD1 4.26Å; R1238-E1518 IonicContact CZ-OE1 2.95Å; R1238-E1518 IonicContact NH2-OE1 2.86Å; R1238-E1518 PolarHBondContact NH2-OE1 3.45Å; R1238-E1518 IonicContact NH2-OE2 2.68Å |
| 1239 | V | 90.6 | Very high | 90.4 | Very high | 9 Ų | 9 | 24 Ų | 24 | 6% | 0.055 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63 | -35.2 | 179.7 | 172.5 | 0 | 0 | 0 | 0 | 112 | L1235 Q1236 R1243 | L1235-V1239 WeakPolarHBondContact O-CG2 3.3Å; L1235-V1239 PolarHBondContact O-N 3.41Å; L1235-V1239 VanDerWaalsContact O-N 3.1Å; Q1236-V1239 PolarHBondContact O-N 2.86Å; V1239-R1243 VanDerWaalsContact CG1-NE 3.27Å; V1239-R1243 WeakPolarHBondContact O-CD 3.27Å; V1239-R1243 WeakPolarHBondContact O-CG 3.17Å; V1239-R1243 PolarHBondContact O-N 3.16Å; V1239-R1243 VanDerWaalsContact O-N 3.15Å |
| 1240 | L | 91.7 | Very high | 89.4 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -74.8 | -40.3 | -179.3 | -162.2 | 147.7 | 0 | 0 | 0 | 112.4 | L1063 L1067 Q1236 Y1237 R1238 R1243 L1244 | L1063-L1240 HydrophobicContact CD2-CD1 4.4Å; L1063-L1240 HydrophobicContact CD2-CD2 4.05Å; L1063-L1240 HydrophobicContact CD2-CG 3.72Å; L1067-L1240 HydrophobicContact CB-CD1 3.78Å; L1067-L1240 HydrophobicContact CB-CD2 4.22Å; L1067-L1240 HydrophobicContact CD1-CD1 4.04Å; L1067-L1240 HydrophobicContact CD1-CD2 4.3Å; L1067-L1240 HydrophobicContact CD2-CD2 4.46Å; Q1236-L1240 VanDerWaalsContact O-CB 3.26Å; Q1236-L1240 WeakPolarHBondContact O-CB 3.41Å; Q1236-L1240 PolarHBondContact O-N 3.47Å; Y1237-L1240 PolarHBondContact O-N 3.32Å; R1238-L1240 VanDerWaalsContact C-N 3.3Å; R1238-L1240 PolarHBondContact O-N 2.65Å; L1240-R1243 WeakPolarHBondContact O-CB 3.42Å; L1240-R1243 PolarHBondContact O-N 3.13Å; L1240-L1244 HydrophobicContact CD2-CD1 3.73Å; L1240-L1244 HydrophobicContact CD2-CG 4.25Å; L1240-L1244 PolarHBondContact O-N 2.86Å |
| 1241 | L | 92.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.3 | -43.5 | 172.8 | -74.8 | 168.1 | 0 | 0 | 0 | 111.7 | F1172 Y1237 R1238 R1243 L1244 M1245 C1258 A1261 H1262 L1265 | F1172-L1241 HydrophobicContact CD1-CD1 4.29Å; F1172-L1241 HydrophobicContact CD1-CD2 4.46Å; F1172-L1241 HydrophobicContact CD2-CD2 3.8Å; F1172-L1241 HydrophobicContact CE1-CD1 4.45Å; F1172-L1241 HydrophobicContact CE1-CG 4.5Å; F1172-L1241 HydrophobicContact CE2-CD2 3.97Å; F1172-L1241 HydrophobicContact CG-CD2 4.06Å; F1172-L1241 HydrophobicContact CZ-CD2 4.38Å; F1172-L1241 HydrophobicContact CZ-CG 4.44Å; Y1237-L1241 WeakPolarHBondContact O-CB 3.42Å; Y1237-L1241 WeakPolarHBondContact O-CG 3.34Å; Y1237-L1241 PolarHBondContact O-N 3.35Å; R1238-L1241 PolarHBondContact O-N 2.79Å; L1241-R1243 PolarHBondContact O-N 3.49Å; L1241-L1244 HydrophobicContact CD2-CD1 4.46Å; L1241-L1244 PolarHBondContact O-N 3.2Å; L1241-M1245 WeakPolarHBondContact O-CB 3.26Å; L1241-M1245 VanDerWaalsContact O-CG 3.29Å; L1241-M1245 WeakPolarHBondContact O-CG 3.4Å; L1241-M1245 PolarHBondContact O-N 3.44Å; L1241-C1258 HydrophobicContact CD2-CB 4.09Å; L1241-A1261 HydrophobicContact CD1-CB 4.11Å; L1241-H1262 HydrophobicContact CB-CB 4.21Å; L1241-H1262 HydrophobicContact CD1-CB 4.3Å; L1241-L1265 HydrophobicContact CD1-CD2 4.05Å |
| 1242 | E | 91 | Very high | 87.8 | Confident | 49 Ų | 49 | 42.1 Ų | 42.1 | 23% | 0.229 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.5 | -35.5 | 172.6 | -77.5 | 168.1 | -160.4 | 0 | 0 | 112.2 | R1238 R1246 H1262 | R1238-E1242 VanDerWaalsContact CG-OE1 3.28Å; R1238-E1242 WeakPolarHBondContact CG-OE1 3.4Å; R1238-E1242 IonicContact CZ-OE1 3.76Å; R1238-E1242 IonicContact NH1-OE1 3.77Å; R1238-E1242 PolarHBondContact NH1-OE1 3.13Å; R1238-E1242 IonicContact NH1-OE2 3.14Å; R1238-E1242 PolarHBondContact NH1-OE2 2.97Å; R1238-E1242 WeakPolarHBondContact O-CB 3.43Å; R1238-E1242 WeakPolarHBondContact O-CG 3.35Å; R1238-E1242 PolarHBondContact O-N 2.87Å; E1242-R1246 WeakPolarHBondContact O-CG 3.42Å; E1242-H1262 VanDerWaalsContact CG-NE2 3.28Å; E1242-H1262 WeakPolarHBondContact CG-NE2 3.47Å; E1242-H1262 IonicContact OE1-CD2 2.8Å; E1242-H1262 IonicContact OE1-CE1 2.68Å; E1242-H1262 IonicContact OE1-NE2 3.22Å; E1242-H1262 PolarHBondContact OE1-NE2 3.06Å |
| 1243 | R | 89.2 | Confident | 87.1 | Confident | 25 Ų | 25 | 45 Ų | 45 | 9% | 0.094 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.3 | -51.4 | 175.6 | -72.1 | 160.5 | -176.6 | -101.3 | -25.8 | 111.3 | L1063 V1239 L1240 L1241 M1245 R1246 Y1247 E1608 Y1609 | L1063-R1243 HydrophobicContact CD1-CB 4.05Å; L1063-R1243 HydrophobicContact CD2-CB 3.93Å; V1239-R1243 VanDerWaalsContact CG1-NE 3.27Å; V1239-R1243 WeakPolarHBondContact O-CD 3.27Å; V1239-R1243 WeakPolarHBondContact O-CG 3.17Å; V1239-R1243 PolarHBondContact O-N 3.16Å; V1239-R1243 VanDerWaalsContact O-N 3.15Å; L1240-R1243 WeakPolarHBondContact O-CB 3.42Å; L1240-R1243 PolarHBondContact O-N 3.13Å; L1241-R1243 PolarHBondContact O-N 3.49Å; R1243-M1245 VanDerWaalsContact C-N 3.29Å; R1243-M1245 PolarHBondContact O-N 2.95Å; R1243-R1246 PolarHBondContact O-N 3.43Å; R1243-Y1247 HydrophobicContact CB-CE2 4.47Å; R1243-Y1247 WeakPolarHBondContact O-CD2 3.43Å; R1243-Y1247 WeakPolarHBondContact O-CE2 3.33Å; R1243-Y1247 PolarHBondContact O-N 3.38Å; R1243-E1608 IonicContact CZ-OE1 2.89Å; R1243-E1608 IonicContact CZ-OE2 3.98Å; R1243-E1608 IonicContact NH1-OE1 3.81Å; R1243-E1608 IonicContact NH1-OE2 2.96Å; R1243-E1608 PolarHBondContact NH1-OE2 2.73Å; R1243-E1608 VanDerWaalsContact NH2-CD 3.29Å; R1243-E1608 IonicContact NH2-OE1 2.67Å; R1243-E1608 PolarHBondContact NH2-OE1 2.74Å; R1243-E1608 IonicContact NH2-OE2 3.2Å; R1243-E1608 PolarHBondContact NH2-OE2 2.76Å; R1243-Y1609 VanDerWaalsContact NH1-CE1 3.33Å; R1243-Y1609 PolarHBondContact NH1-OH 2.94Å |
| 1244 | L | 88.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -52.8 | -47.2 | 176.7 | -76.9 | 166.9 | 0 | 0 | 0 | 111.8 | A1060 L1063 I1168 L1240 L1241 R1246 Y1247 Y1248 | A1060-L1244 HydrophobicContact CB-CD2 4.45Å; L1063-L1244 HydrophobicContact CB-CD2 3.85Å; L1063-L1244 HydrophobicContact CB-CG 4.41Å; L1063-L1244 HydrophobicContact CD1-CD2 3.89Å; L1063-L1244 HydrophobicContact CD1-CG 4.09Å; L1063-L1244 HydrophobicContact CD2-CG 4.49Å; L1063-L1244 HydrophobicContact CG-CD2 4.37Å; I1168-L1244 HydrophobicContact CG2-CD1 3.65Å; I1168-L1244 HydrophobicContact CG2-CD2 4.48Å; L1240-L1244 HydrophobicContact CD2-CD1 3.73Å; L1240-L1244 HydrophobicContact CD2-CG 4.25Å; L1240-L1244 PolarHBondContact O-N 2.86Å; L1241-L1244 HydrophobicContact CD2-CD1 4.46Å; L1241-L1244 PolarHBondContact O-N 3.2Å; L1244-R1246 PolarHBondContact O-N 3.5Å; L1244-R1246 VanDerWaalsContact O-N 3.11Å; L1244-Y1247 PolarHBondContact O-N 3.4Å; L1244-Y1248 HydrophobicContact CB-CE2 4.2Å; L1244-Y1248 HydrophobicContact CD2-CE2 4.42Å; L1244-Y1248 PolarHBondContact O-N 2.83Å |
| 1245 | M | 89.4 | Confident | 86.3 | Confident | 49 Ų | 49 | 45.1 Ų | 45.1 | 24% | 0.241 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -16.1 | 178.9 | -71.9 | 170.2 | 45.4 | 0 | 0 | 114.8 | L1241 R1243 L1255 C1258 R1259 H1262 | L1241-M1245 WeakPolarHBondContact O-CB 3.26Å; L1241-M1245 VanDerWaalsContact O-CG 3.29Å; L1241-M1245 WeakPolarHBondContact O-CG 3.4Å; L1241-M1245 PolarHBondContact O-N 3.44Å; R1243-M1245 VanDerWaalsContact C-N 3.29Å; R1243-M1245 PolarHBondContact O-N 2.95Å; M1245-L1255 HydrophobicContact CB-CD1 4.18Å; M1245-L1255 HydrophobicContact CG-CD1 4Å; M1245-C1258 HydrophobicContact CG-CB 3.82Å; M1245-C1258 HydrophobicContact SD-CB 4.29Å; M1245-R1259 HydrophobicContact CE-CG 3.66Å; M1245-R1259 HydrophobicContact SD-CG 4.09Å; M1245-H1262 HydrophobicContact SD-CB 3.91Å |
| 1246 | R | 86.5 | Confident | 86.1 | Confident | 152 Ų | 152 | 48 Ų | 48 | 57% | 0.574 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -88.8 | -23.3 | 173.6 | -69.3 | 177.3 | -175.9 | 172.6 | 3.6 | 113.7 | T893 E1242 R1243 L1244 | T893-R1246 HydrophobicContact CG2-CG 3.9Å; E1242-R1246 WeakPolarHBondContact O-CG 3.42Å; R1243-R1246 PolarHBondContact O-N 3.43Å; L1244-R1246 PolarHBondContact O-N 3.5Å; L1244-R1246 VanDerWaalsContact O-N 3.11Å |
| 1247 | Y | 78.8 | Confident | 86 | Confident | 71 Ų | 71 | 48.7 Ų | 48.7 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -92.7 | -24.4 | 175.7 | -59.8 | -73.6 | 0 | 0 | 0 | 112.1 | E1059 L1063 R1243 L1244 G1249 | E1059-Y1247 HydrophobicContact CB-CD1 4.01Å; E1059-Y1247 HydrophobicContact CB-CE1 4.24Å; E1059-Y1247 HydrophobicContact CB-CG 4.29Å; E1059-Y1247 HydrophobicContact CG-CD1 4.43Å; E1059-Y1247 HydrophobicContact CG-CE1 4.38Å; E1059-Y1247 VanDerWaalsContact OE1-CE1 3.27Å; E1059-Y1247 WeakPolarHBondContact OE1-CE1 3.37Å; E1059-Y1247 WeakPolarHBondContact OE2-CD1 3.35Å; E1059-Y1247 WeakPolarHBondContact OE2-CE1 3.49Å; L1063-Y1247 HydrophobicContact CD1-CD2 3.57Å; L1063-Y1247 HydrophobicContact CD1-CE2 3.72Å; R1243-Y1247 HydrophobicContact CB-CE2 4.47Å; R1243-Y1247 WeakPolarHBondContact O-CD2 3.43Å; R1243-Y1247 WeakPolarHBondContact O-CE2 3.33Å; R1243-Y1247 PolarHBondContact O-N 3.38Å; L1244-Y1247 PolarHBondContact O-N 3.4Å; Y1247-G1249 PolarHBondContact O-N 3.2Å |
| 1248 | Y | 80.3 | Confident | 85.9 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -77.8 | 103.4 | 170.7 | -68.4 | -15.5 | 0 | 0 | 0 | 111.2 | A1060 L1244 H1252 D1254 | A1060-Y1248 HydrophobicContact CB-CE1 3.87Å; L1244-Y1248 HydrophobicContact CB-CE2 4.2Å; L1244-Y1248 HydrophobicContact CD2-CE2 4.42Å; L1244-Y1248 PolarHBondContact O-N 2.83Å; Y1248-H1252 HydrophobicContact CD1-CB 4.45Å; Y1248-H1252 AromaticContact CD1-CE1 3.61Å; Y1248-H1252 AromaticContact CD1-CG 3.75Å; Y1248-H1252 AromaticContact CD1-ND1 3.33Å; Y1248-H1252 VanDerWaalsContact CD1-ND1 3.33Å; Y1248-H1252 WeakPolarHBondContact CD1-ND1 3.42Å; Y1248-H1252 AromaticContact CD2-ND1 3.64Å; Y1248-H1252 AromaticContact CE1-CE1 3.33Å; Y1248-H1252 WeakPolarHBondContact CE1-CE1 3.46Å; Y1248-H1252 AromaticContact CE1-ND1 3.51Å; Y1248-H1252 AromaticContact CE1-NE2 3.99Å; Y1248-H1252 AromaticContact CE2-ND1 3.81Å; Y1248-H1252 HydrophobicContact CG-CB 4.2Å; Y1248-H1252 AromaticContact CG-CG 3.87Å; Y1248-H1252 AromaticContact CG-ND1 3.41Å; Y1248-H1252 AromaticContact CZ-CE1 3.61Å; Y1248-H1252 AromaticContact CZ-ND1 3.76Å; Y1248-D1254 HydrophobicContact CD2-CB 4.38Å; Y1248-D1254 HydrophobicContact CE2-CB 3.81Å; Y1248-D1254 WeakPolarHBondContact CE2-OD2 3.25Å; Y1248-D1254 PolarHBondContact OH-OD2 3.44Å |
| 1249 | G | 71.3 | Confident | 85.9 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 49% | 0.485 | 26% | 0.26 | S | S | . | . | trans | -60.5 | 161.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1247 I1251 H1252 | Y1247-G1249 PolarHBondContact O-N 3.2Å; G1249-I1251 PolarHBondContact O-N 3.37Å; G1249-H1252 WeakPolarHBondContact O-CB 3.41Å; G1249-H1252 PolarHBondContact O-N 2.89Å | ||
| 1250 | E | 74.1 | Confident | 86 | Confident | 165 Ų | 165 | 55.8 Ų | 55.8 | 77% | 0.771 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -18 | -166.6 | -62.4 | -176 | 157.8 | 0 | 0 | 115.8 | ||
| 1251 | I | 75.3 | Confident | 86.2 | Confident | 173 Ų | 173 | 55.6 Ų | 55.6 | 89% | 0.887 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 5.1 | -178.6 | -28 | 179.2 | 0 | 0 | 0 | 112.6 | G1249 | G1249-I1251 PolarHBondContact O-N 3.37Š|
| 1252 | H | 82 | Confident | 86.3 | Confident | 45 Ų | 45 | 57.1 Ų | 57.1 | 21% | 0.208 | 28% | 0.283 | C | S | . | . | trans | -76.2 | 127.3 | -178.9 | -165.8 | -102.9 | 0 | 0 | 0 | 111.5 | Y1248 G1249 D1254 L1255 | Y1248-H1252 HydrophobicContact CD1-CB 4.45Å; Y1248-H1252 AromaticContact CD1-CE1 3.61Å; Y1248-H1252 AromaticContact CD1-CG 3.75Å; Y1248-H1252 AromaticContact CD1-ND1 3.33Å; Y1248-H1252 VanDerWaalsContact CD1-ND1 3.33Å; Y1248-H1252 WeakPolarHBondContact CD1-ND1 3.42Å; Y1248-H1252 AromaticContact CD2-ND1 3.64Å; Y1248-H1252 AromaticContact CE1-CE1 3.33Å; Y1248-H1252 WeakPolarHBondContact CE1-CE1 3.46Å; Y1248-H1252 AromaticContact CE1-ND1 3.51Å; Y1248-H1252 AromaticContact CE1-NE2 3.99Å; Y1248-H1252 AromaticContact CE2-ND1 3.81Å; Y1248-H1252 HydrophobicContact CG-CB 4.2Å; Y1248-H1252 AromaticContact CG-CG 3.87Å; Y1248-H1252 AromaticContact CG-ND1 3.41Å; Y1248-H1252 AromaticContact CZ-CE1 3.61Å; Y1248-H1252 AromaticContact CZ-ND1 3.76Å; G1249-H1252 WeakPolarHBondContact O-CB 3.41Å; G1249-H1252 PolarHBondContact O-N 2.89Å; H1252-D1254 WeakPolarHBondContact ND1-CB 3.38Å; H1252-D1254 PolarHBondContact O-N 2.86Å; H1252-D1254 VanDerWaalsContact O-N 3.08Å; H1252-L1255 HydrophobicContact CB-CB 4.42Å; H1252-L1255 VanDerWaalsContact O-CB 3.22Å; H1252-L1255 WeakPolarHBondContact O-CB 3.33Å; H1252-L1255 PolarHBondContact O-N 3.48Å | ||
| 1253 | P | 80.9 | Confident | 86.5 | Confident | 60 Ų | 60 | 57 Ų | 57 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -0 | -169.8 | 33.3 | -39.3 | 0 | 0 | 0 | 114.8 | R1167 | R1167-P1253 PolarHBondContact NH1-O 3.34Š|
| 1254 | D | 87.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -8.8 | 172.9 | -155.5 | 43.6 | 0 | 0 | 0 | 112.2 | R1167 I1168 G1169 D1170 Y1248 H1252 D1257 C1258 | R1167-D1254 HydrophobicContact CB-CB 4.37Å; R1167-D1254 WeakPolarHBondContact CB-OD1 3.46Å; R1167-D1254 HydrophobicContact CG-CB 4.17Å; I1168-D1254 PolarHBondContact N-OD1 3.24Å; I1168-D1254 PolarHBondContact N-OD2 3.16Å; G1169-D1254 WeakPolarHBondContact CA-OD1 3.37Å; G1169-D1254 VanDerWaalsContact N-CG 3.26Å; G1169-D1254 PolarHBondContact N-OD1 3.01Å; G1169-D1254 PolarHBondContact N-OD2 3.48Å; D1170-D1254 PolarHBondContact N-OD1 3.27Å; Y1248-D1254 HydrophobicContact CD2-CB 4.38Å; Y1248-D1254 HydrophobicContact CE2-CB 3.81Å; Y1248-D1254 WeakPolarHBondContact CE2-OD2 3.25Å; Y1248-D1254 PolarHBondContact OH-OD2 3.44Å; H1252-D1254 WeakPolarHBondContact ND1-CB 3.38Å; H1252-D1254 PolarHBondContact O-N 2.86Å; H1252-D1254 VanDerWaalsContact O-N 3.08Å; D1254-D1257 PolarHBondContact O-N 3.4Å; D1254-C1258 PolarHBondContact O-N 3.37Å |
| 1255 | L | 87.5 | Confident | 87.1 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.9 | -31.8 | -174.1 | -179.2 | 59.9 | 0 | 0 | 0 | 112.8 | M1245 H1252 D1257 R1259 | M1245-L1255 HydrophobicContact CB-CD1 4.18Å; M1245-L1255 HydrophobicContact CG-CD1 4Å; H1252-L1255 HydrophobicContact CB-CB 4.42Å; H1252-L1255 VanDerWaalsContact O-CB 3.22Å; H1252-L1255 WeakPolarHBondContact O-CB 3.33Å; H1252-L1255 PolarHBondContact O-N 3.48Å; L1255-D1257 VanDerWaalsContact C-N 3.32Å; L1255-R1259 HydrophobicContact CD1-CG 4.4Å; L1255-R1259 WeakPolarHBondContact O-CB 3.27Å; L1255-R1259 WeakPolarHBondContact O-CD 3.36Å; L1255-R1259 WeakPolarHBondContact O-CG 3.29Å; L1255-R1259 PolarHBondContact O-N 3.05Å; L1255-R1259 VanDerWaalsContact O-N 3.11Å |
| 1256 | S | 89.3 | Confident | 87.3 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 43% | 0.434 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 170.6 | 44.6 | 0 | 0 | 0 | 0 | 111 | R1259 I1260 | S1256-R1259 WeakPolarHBondContact O-CB 3.27Å; S1256-R1259 PolarHBondContact O-N 3.15Å; S1256-I1260 VanDerWaalsContact O-CG1 3.31Å; S1256-I1260 WeakPolarHBondContact O-CG1 3.43Å; S1256-I1260 PolarHBondContact O-N 3.02Å |
| 1257 | D | 92.4 | Very high | 87.7 | Confident | 39 Ų | 39 | 58 Ų | 58 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -78.5 | -40.7 | -166.7 | -56.9 | 5 | 0 | 0 | 0 | 109.1 | G1169 V1173 D1254 L1255 R1259 I1260 A1261 | G1169-D1257 VanDerWaalsContact C-CB 3.49Å; V1173-D1257 HydrophobicContact CG2-CB 3.88Å; V1173-D1257 VanDerWaalsContact CG2-O 3.28Å; V1173-D1257 WeakPolarHBondContact CG2-O 3.38Å; D1254-D1257 PolarHBondContact O-N 3.4Å; L1255-D1257 VanDerWaalsContact C-N 3.32Å; D1257-R1259 VanDerWaalsContact C-N 3.33Å; D1257-R1259 PolarHBondContact O-N 3.24Å; D1257-I1260 PolarHBondContact O-N 2.68Å; D1257-A1261 WeakPolarHBondContact O-CB 3.17Å; D1257-A1261 PolarHBondContact O-N 3.47Å |
| 1258 | C | 92.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.2 | -39.5 | 166.9 | -72.8 | 0 | 0 | 0 | 0 | 113.1 | L1241 M1245 D1254 H1262 | L1241-C1258 HydrophobicContact CD2-CB 4.09Å; M1245-C1258 HydrophobicContact CG-CB 3.82Å; M1245-C1258 HydrophobicContact SD-CB 4.29Å; D1254-C1258 PolarHBondContact O-N 3.37Å; C1258-H1262 VanDerWaalsContact O-CB 3.23Å; C1258-H1262 WeakPolarHBondContact O-CB 3.33Å; C1258-H1262 PolarHBondContact O-N 3.33Å |
| 1259 | R | 93.1 | Very high | 89.2 | Confident | 130 Ų | 130 | 55.1 Ų | 55.1 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 176.5 | -79 | 169.9 | 179.1 | -176.5 | 1.2 | 112 | M1245 L1255 S1256 D1257 H1262 A1263 | M1245-R1259 HydrophobicContact CE-CG 3.66Å; M1245-R1259 HydrophobicContact SD-CG 4.09Å; L1255-R1259 HydrophobicContact CD1-CG 4.4Å; L1255-R1259 WeakPolarHBondContact O-CB 3.27Å; L1255-R1259 WeakPolarHBondContact O-CD 3.36Å; L1255-R1259 WeakPolarHBondContact O-CG 3.29Å; L1255-R1259 PolarHBondContact O-N 3.05Å; L1255-R1259 VanDerWaalsContact O-N 3.11Å; S1256-R1259 WeakPolarHBondContact O-CB 3.27Å; S1256-R1259 PolarHBondContact O-N 3.15Å; D1257-R1259 VanDerWaalsContact C-N 3.33Å; D1257-R1259 PolarHBondContact O-N 3.24Å; R1259-H1262 PolarHBondContact O-N 2.86Å; R1259-A1263 WeakPolarHBondContact O-CB 3.17Å; R1259-A1263 PolarHBondContact O-N 3.26Å |
| 1260 | I | 93.6 | Very high | 90.3 | Very high | 79 Ų | 79 | 58.5 Ų | 58.5 | 41% | 0.405 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 177.1 | -68.9 | 162.7 | 0 | 0 | 0 | 110.4 | V1173 L1176 S1256 D1257 K1264 | V1173-I1260 HydrophobicContact CG2-CB 4.3Å; V1173-I1260 HydrophobicContact CG2-CG2 4.21Å; L1176-I1260 HydrophobicContact CD1-CG2 4.37Å; S1256-I1260 VanDerWaalsContact O-CG1 3.31Å; S1256-I1260 WeakPolarHBondContact O-CG1 3.43Å; S1256-I1260 PolarHBondContact O-N 3.02Å; D1257-I1260 PolarHBondContact O-N 2.68Å; I1260-K1264 PolarHBondContact O-N 3.39Å |
| 1261 | A | 94.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1172 V1173 L1176 L1241 D1257 A1263 L1265 | F1172-A1261 HydrophobicContact CB-CB 3.76Å; V1173-A1261 HydrophobicContact CG2-CB 4.25Å; L1176-A1261 HydrophobicContact CD2-CB 4.38Å; L1241-A1261 HydrophobicContact CD1-CB 4.11Å; D1257-A1261 WeakPolarHBondContact O-CB 3.17Å; D1257-A1261 PolarHBondContact O-N 3.47Å; A1261-A1263 PolarHBondContact O-N 3.15Å; A1261-L1265 WeakPolarHBondContact O-CB 3.32Å; A1261-L1265 PolarHBondContact O-N 3.22Å |
| 1262 | H | 95.1 | Very high | 92.1 | Very high | 32 Ų | 32 | 46.6 Ų | 46.6 | 15% | 0.148 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 177.5 | 177.3 | -95 | 0 | 0 | 0 | 111.7 | L1241 E1242 M1245 C1258 R1259 L1265 N1266 | L1241-H1262 HydrophobicContact CB-CB 4.21Å; L1241-H1262 HydrophobicContact CD1-CB 4.3Å; E1242-H1262 VanDerWaalsContact CG-NE2 3.28Å; E1242-H1262 WeakPolarHBondContact CG-NE2 3.47Å; E1242-H1262 IonicContact OE1-CD2 2.8Å; E1242-H1262 IonicContact OE1-CE1 2.68Å; E1242-H1262 IonicContact OE1-NE2 3.22Å; E1242-H1262 PolarHBondContact OE1-NE2 3.06Å; M1245-H1262 HydrophobicContact SD-CB 3.91Å; C1258-H1262 VanDerWaalsContact O-CB 3.23Å; C1258-H1262 WeakPolarHBondContact O-CB 3.33Å; C1258-H1262 PolarHBondContact O-N 3.33Å; R1259-H1262 PolarHBondContact O-N 2.86Å; H1262-L1265 PolarHBondContact O-N 3.46Å; H1262-N1266 WeakPolarHBondContact O-CB 3.47Å; H1262-N1266 PolarHBondContact O-N 2.97Å |
| 1263 | A | 94.8 | Very high | 92.6 | Very high | 47 Ų | 47 | 48.1 Ų | 48.1 | 39% | 0.388 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.3 | -57.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1259 A1261 L1265 N1266 D1267 | R1259-A1263 WeakPolarHBondContact O-CB 3.17Å; R1259-A1263 PolarHBondContact O-N 3.26Å; A1261-A1263 PolarHBondContact O-N 3.15Å; A1263-L1265 VanDerWaalsContact C-N 3.31Å; A1263-L1265 PolarHBondContact O-N 3.34Å; A1263-N1266 PolarHBondContact O-N 3.12Å; A1263-N1266 VanDerWaalsContact O-N 3.15Å; A1263-D1267 PolarHBondContact O-N 2.74Å |
| 1264 | K | 94.9 | Very high | 93.1 | Very high | 114 Ų | 114 | 50.3 Ų | 50.3 | 50% | 0.496 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64 | -35.4 | -178.7 | -62.5 | -158.7 | -161.6 | 177.2 | 0 | 113.1 | L1176 L1179 I1260 L1268 | L1176-K1264 HydrophobicContact CD1-CD 4.12Å; L1176-K1264 HydrophobicContact CD2-CB 4.26Å; L1179-K1264 HydrophobicContact CD1-CB 3.99Å; I1260-K1264 PolarHBondContact O-N 3.39Å; K1264-L1268 PolarHBondContact O-N 3.24Å |
| 1265 | L | 95 | Very high | 93.3 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 174.6 | 175.3 | 63.6 | 0 | 0 | 0 | 111.3 | L1179 L1234 R1238 L1241 A1261 H1262 A1263 L1268 I1269 | L1179-L1265 HydrophobicContact CD2-CD1 4.27Å; L1234-L1265 HydrophobicContact CB-CD1 4.09Å; L1234-L1265 HydrophobicContact CD2-CD1 3.76Å; L1234-L1265 HydrophobicContact CG-CD1 4.4Å; R1238-L1265 HydrophobicContact CB-CD2 4.2Å; L1241-L1265 HydrophobicContact CD1-CD2 4.05Å; A1261-L1265 WeakPolarHBondContact O-CB 3.32Å; A1261-L1265 PolarHBondContact O-N 3.22Å; H1262-L1265 PolarHBondContact O-N 3.46Å; A1263-L1265 VanDerWaalsContact C-N 3.31Å; A1263-L1265 PolarHBondContact O-N 3.34Å; L1265-L1268 PolarHBondContact O-N 3.33Å; L1265-I1269 HydrophobicContact CD1-CD1 3.97Å; L1265-I1269 HydrophobicContact CD1-CG1 4.39Å; L1265-I1269 HydrophobicContact CD2-CD1 4.5Å; L1265-I1269 HydrophobicContact CG-CD1 3.82Å; L1265-I1269 VanDerWaalsContact O-CG1 3.31Å; L1265-I1269 WeakPolarHBondContact O-CG1 3.01Å; L1265-I1269 PolarHBondContact O-N 3.44Å |
| 1266 | N | 94.5 | Very high | 93.6 | Very high | 32 Ų | 32 | 52.1 Ų | 52.1 | 17% | 0.171 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.9 | -36.2 | 179.2 | 179.4 | 80.5 | 0 | 0 | 0 | 111.9 | H1262 A1263 L1268 I1269 Q1270 | H1262-N1266 WeakPolarHBondContact O-CB 3.47Å; H1262-N1266 PolarHBondContact O-N 2.97Å; A1263-N1266 PolarHBondContact O-N 3.12Å; A1263-N1266 VanDerWaalsContact O-N 3.15Å; N1266-L1268 VanDerWaalsContact C-N 3.35Å; N1266-L1268 PolarHBondContact O-N 3Å; N1266-I1269 PolarHBondContact O-N 3.39Å; N1266-Q1270 VanDerWaalsContact ND2-CD 3.32Å; N1266-Q1270 PolarHBondContact ND2-NE2 2.83Å; N1266-Q1270 WeakPolarHBondContact O-CB 3.25Å; N1266-Q1270 WeakPolarHBondContact O-CG 3.36Å; N1266-Q1270 PolarHBondContact O-N 3.13Å; N1266-Q1270 PolarHBondContact OD1-NE2 2.57Å |
| 1267 | D | 94.8 | Very high | 93.8 | Very high | 94 Ų | 94 | 52.1 Ų | 52.1 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 172.7 | -70 | -26.4 | 0 | 0 | 0 | 111.8 | A1263 S1271 | A1263-D1267 PolarHBondContact O-N 2.74Å; D1267-S1271 WeakPolarHBondContact O-CB 3.43Å; D1267-S1271 PolarHBondContact O-N 1.96Å; D1267-S1271 PolarHBondContact O-OG 3.18Å |
| 1268 | L | 94.6 | Very high | 93.8 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 173.9 | -179.4 | 63.6 | 0 | 0 | 0 | 111.8 | L1179 H1183 L1234 K1264 L1265 N1266 Q1270 S1271 Q1272 | L1179-L1268 HydrophobicContact CB-CD2 4.13Å; L1179-L1268 HydrophobicContact CD2-CD2 3.68Å; L1179-L1268 HydrophobicContact CG-CD2 4.45Å; H1183-L1268 HydrophobicContact CB-CD1 4.07Å; L1234-L1268 HydrophobicContact CD1-CD2 3.93Å; K1264-L1268 PolarHBondContact O-N 3.24Å; L1265-L1268 PolarHBondContact O-N 3.33Å; N1266-L1268 VanDerWaalsContact C-N 3.35Å; N1266-L1268 PolarHBondContact O-N 3Å; L1268-Q1270 PolarHBondContact O-N 2.82Å; L1268-S1271 WeakPolarHBondContact CA-OG 3.19Å; L1268-S1271 PolarHBondContact O-N 3.13Å; L1268-S1271 PolarHBondContact O-OG 3.32Å; L1268-S1271 VanDerWaalsContact O-OG 3.08Å; L1268-Q1272 HydrophobicContact CD1-CG 4Å; L1268-Q1272 WeakPolarHBondContact O-CB 3.48Å; L1268-Q1272 PolarHBondContact O-N 3.41Å |
| 1269 | I | 94.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.2 | -44 | 179.7 | -71.6 | 166.8 | 0 | 0 | 0 | 110.9 | M1231 L1234 L1235 R1238 L1265 N1266 W1273 | M1231-I1269 HydrophobicContact CE-CB 4.42Å; M1231-I1269 HydrophobicContact CE-CG1 4.33Å; M1231-I1269 HydrophobicContact CE-CG2 4.09Å; L1234-I1269 HydrophobicContact CB-CD1 4.08Å; L1234-I1269 HydrophobicContact CB-CG1 4.02Å; L1234-I1269 WeakPolarHBondContact O-CD1 3.38Å; L1235-I1269 HydrophobicContact CD2-CG2 3.9Å; R1238-I1269 HydrophobicContact CB-CD1 3.72Å; R1238-I1269 HydrophobicContact CG-CD1 4.26Å; L1265-I1269 HydrophobicContact CD1-CD1 3.97Å; L1265-I1269 HydrophobicContact CD1-CG1 4.39Å; L1265-I1269 HydrophobicContact CD2-CD1 4.5Å; L1265-I1269 HydrophobicContact CG-CD1 3.82Å; L1265-I1269 VanDerWaalsContact O-CG1 3.31Å; L1265-I1269 WeakPolarHBondContact O-CG1 3.01Å; L1265-I1269 PolarHBondContact O-N 3.44Å; N1266-I1269 PolarHBondContact O-N 3.39Å; I1269-W1273 WeakPolarHBondContact O-CA 3.45Å; I1269-W1273 WeakPolarHBondContact O-CB 3.38Å; I1269-W1273 PolarHBondContact O-N 3.19Å |
| 1270 | Q | 94.4 | Very high | 94 | Very high | 119 Ų | 119 | 50.7 Ų | 50.7 | 56% | 0.556 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -69.2 | -41.5 | -179.9 | -72.1 | -174 | 3.6 | 0 | 0 | 112.1 | N1266 L1268 Q1272 | N1266-Q1270 VanDerWaalsContact ND2-CD 3.32Å; N1266-Q1270 PolarHBondContact ND2-NE2 2.83Å; N1266-Q1270 WeakPolarHBondContact O-CB 3.25Å; N1266-Q1270 WeakPolarHBondContact O-CG 3.36Å; N1266-Q1270 PolarHBondContact O-N 3.13Å; N1266-Q1270 PolarHBondContact OD1-NE2 2.57Å; L1268-Q1270 PolarHBondContact O-N 2.82Å; Q1270-Q1272 VanDerWaalsContact C-N 3.34Å; Q1270-Q1272 PolarHBondContact O-N 3.28Å |
| 1271 | S | 93.7 | Very high | 94.1 | Very high | 75 Ų | 75 | 47.6 Ų | 47.6 | 52% | 0.524 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.6 | -30.5 | 177.9 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | D1267 L1268 | D1267-S1271 WeakPolarHBondContact O-CB 3.43Å; D1267-S1271 PolarHBondContact O-N 1.96Å; D1267-S1271 PolarHBondContact O-OG 3.18Å; L1268-S1271 WeakPolarHBondContact CA-OG 3.19Å; L1268-S1271 PolarHBondContact O-N 3.13Å; L1268-S1271 PolarHBondContact O-OG 3.32Å; L1268-S1271 VanDerWaalsContact O-OG 3.08Å |
| 1272 | Q | 93.8 | Very high | 94.1 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 7.6 | 179.8 | -62.2 | -60.5 | -22.7 | 0 | 0 | 114.8 | H1183 L1186 L1268 Q1270 E1274 S1275 Y1276 | H1183-Q1272 PolarHBondContact CD2-NE2 3.44Å; H1183-Q1272 PolarHBondContact NE2-NE2 3.47Å; L1186-Q1272 HydrophobicContact CB-CB 4.41Å; L1186-Q1272 HydrophobicContact CB-CG 4.39Å; L1186-Q1272 HydrophobicContact CD1-CB 3.78Å; L1186-Q1272 HydrophobicContact CD1-CG 4.06Å; L1268-Q1272 HydrophobicContact CD1-CG 4Å; L1268-Q1272 WeakPolarHBondContact O-CB 3.48Å; L1268-Q1272 PolarHBondContact O-N 3.41Å; Q1270-Q1272 VanDerWaalsContact C-N 3.34Å; Q1270-Q1272 PolarHBondContact O-N 3.28Å; Q1272-E1274 PolarHBondContact O-N 2.87Å; Q1272-S1275 WeakPolarHBondContact O-CB 3.48Å; Q1272-S1275 PolarHBondContact O-N 2.73Å; Q1272-S1275 PolarHBondContact OE1-OG 3.31Å; Q1272-Y1276 WeakPolarHBondContact O-CB 3.38Å; Q1272-Y1276 PolarHBondContact O-N 3.03Å |
| 1273 | W | 92.7 | Very high | 94.1 | Very high | 76 Ų | 76 | 47 Ų | 47 | 29% | 0.288 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.8 | -43.2 | -175.9 | -177.2 | -126.8 | 0 | 0 | 0 | 113.4 | M1231 L1235 I1269 Y1276 K1277 | M1231-W1273 HydrophobicContact CE-CE3 4.33Å; L1235-W1273 HydrophobicContact CD1-CZ3 4.27Å; L1235-W1273 HydrophobicContact CD2-CZ3 4.01Å; I1269-W1273 WeakPolarHBondContact O-CA 3.45Å; I1269-W1273 WeakPolarHBondContact O-CB 3.38Å; I1269-W1273 PolarHBondContact O-N 3.19Å; W1273-Y1276 AromaticContact CE3-CD1 3.76Å; W1273-Y1276 HydrophobicContact CE3-CD1 3.76Å; W1273-Y1276 HydrophobicContact CE3-CE1 4.32Å; W1273-Y1276 HydrophobicContact CH2-CE1 4.35Å; W1273-Y1276 AromaticContact CZ3-CD1 3.62Å; W1273-Y1276 HydrophobicContact CZ3-CD1 3.62Å; W1273-Y1276 AromaticContact CZ3-CE1 3.7Å; W1273-Y1276 HydrophobicContact CZ3-CE1 3.7Å; W1273-Y1276 PolarHBondContact O-N 2.85Å; W1273-K1277 HydrophobicContact CG-CD 4.49Å; W1273-K1277 WeakPolarHBondContact O-CG 3.49Å; W1273-K1277 PolarHBondContact O-N 2.96Å |
| 1274 | E | 91.1 | Very high | 94.1 | Very high | 106 Ų | 106 | 45 Ų | 45 | 50% | 0.495 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -76.5 | -34.1 | -179.2 | -146.2 | 64.8 | -148.9 | 0 | 0 | 112.1 | Q1272 Y1276 K1277 K1278 | Q1272-E1274 PolarHBondContact O-N 2.87Å; E1274-Y1276 VanDerWaalsContact C-N 3.33Å; E1274-Y1276 PolarHBondContact O-N 2.84Å; E1274-K1277 VanDerWaalsContact CD-CD 3.44Å; E1274-K1277 PolarHBondContact O-N 3.44Å; E1274-K1277 VanDerWaalsContact OE1-CD 3.31Å; E1274-K1277 WeakPolarHBondContact OE1-CD 3.28Å; E1274-K1277 IonicContact OE1-NZ 3.35Å; E1274-K1277 PolarHBondContact OE1-NZ 3Å; E1274-K1277 WeakPolarHBondContact OE2-CD 3.31Å; E1274-K1277 WeakPolarHBondContact OE2-CE 3.27Å; E1274-K1277 IonicContact OE2-NZ 2.76Å; E1274-K1277 PolarHBondContact OE2-NZ 3.43Å; E1274-K1278 WeakPolarHBondContact O-CB 3.45Å; E1274-K1278 PolarHBondContact O-N 3.16Å |
| 1275 | S | 91.9 | Very high | 94.1 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 32% | 0.315 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.2 | -47 | 169.2 | -47 | 0 | 0 | 0 | 0 | 110.8 | Q1272 K1278 M1279 | Q1272-S1275 WeakPolarHBondContact O-CB 3.48Å; Q1272-S1275 PolarHBondContact O-N 2.73Å; Q1272-S1275 PolarHBondContact OE1-OG 3.31Å; S1275-K1278 PolarHBondContact O-N 3.01Å; S1275-M1279 PolarHBondContact O-N 2.96Å |
| 1276 | Y | 94 | Very high | 94 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -51.4 | 176.6 | 164.8 | -124.8 | 0 | 0 | 0 | 112.6 | M1231 H1232 L1235 Q1272 W1273 E1274 K1278 M1279 E1280 L1514 N1517 | M1231-Y1276 HydrophobicContact CB-CD2 3.68Å; M1231-Y1276 HydrophobicContact CB-CE2 3.99Å; M1231-Y1276 HydrophobicContact CB-CG 4.13Å; M1231-Y1276 HydrophobicContact CE-CD1 4.11Å; M1231-Y1276 HydrophobicContact CE-CG 4.2Å; M1231-Y1276 HydrophobicContact CG-CD1 3.75Å; M1231-Y1276 HydrophobicContact CG-CD2 3.46Å; M1231-Y1276 VanDerWaalsContact CG-CD2 3.46Å; M1231-Y1276 HydrophobicContact CG-CE1 4.18Å; M1231-Y1276 HydrophobicContact CG-CE2 3.95Å; M1231-Y1276 HydrophobicContact CG-CG 3.38Å; H1232-Y1276 PolarHBondContact CD2-OH 3.08Å; H1232-Y1276 AromaticContact NE2-CE2 3.53Å; H1232-Y1276 AromaticContact NE2-CZ 3.55Å; H1232-Y1276 PolarHBondContact NE2-OH 2.91Å; L1235-Y1276 HydrophobicContact CD1-CE1 3.94Å; Q1272-Y1276 WeakPolarHBondContact O-CB 3.38Å; Q1272-Y1276 PolarHBondContact O-N 3.03Å; W1273-Y1276 AromaticContact CE3-CD1 3.76Å; W1273-Y1276 HydrophobicContact CE3-CD1 3.76Å; W1273-Y1276 HydrophobicContact CE3-CE1 4.32Å; W1273-Y1276 HydrophobicContact CH2-CE1 4.35Å; W1273-Y1276 AromaticContact CZ3-CD1 3.62Å; W1273-Y1276 HydrophobicContact CZ3-CD1 3.62Å; W1273-Y1276 AromaticContact CZ3-CE1 3.7Å; W1273-Y1276 HydrophobicContact CZ3-CE1 3.7Å; W1273-Y1276 PolarHBondContact O-N 2.85Å; E1274-Y1276 VanDerWaalsContact C-N 3.33Å; E1274-Y1276 PolarHBondContact O-N 2.84Å; Y1276-K1278 VanDerWaalsContact C-N 3.26Å; Y1276-K1278 PolarHBondContact O-N 3.46Å; Y1276-M1279 WeakPolarHBondContact O-CB 3.42Å; Y1276-M1279 PolarHBondContact O-N 3.46Å; Y1276-E1280 HydrophobicContact CE2-CB 4.13Å; Y1276-E1280 WeakPolarHBondContact CE2-OE2 3.42Å; Y1276-E1280 PolarHBondContact O-N 2.92Å; Y1276-E1280 PolarHBondContact OH-OE2 3.32Å; Y1276-L1514 HydrophobicContact CE1-CD2 3.74Å; Y1276-N1517 PolarHBondContact OH-ND2 3.49Å |
| 1277 | K | 93.8 | Very high | 93.8 | Very high | 62 Ų | 62 | 38.6 Ų | 38.6 | 27% | 0.27 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54.4 | -43.2 | 175.1 | -78.5 | 161.5 | 146.2 | -167.7 | 0 | 112 | W1273 E1274 M1279 E1280 N1281 L1514 | W1273-K1277 HydrophobicContact CG-CD 4.49Å; W1273-K1277 WeakPolarHBondContact O-CG 3.49Å; W1273-K1277 PolarHBondContact O-N 2.96Å; E1274-K1277 VanDerWaalsContact CD-CD 3.44Å; E1274-K1277 PolarHBondContact O-N 3.44Å; E1274-K1277 VanDerWaalsContact OE1-CD 3.31Å; E1274-K1277 WeakPolarHBondContact OE1-CD 3.28Å; E1274-K1277 IonicContact OE1-NZ 3.35Å; E1274-K1277 PolarHBondContact OE1-NZ 3Å; E1274-K1277 WeakPolarHBondContact OE2-CD 3.31Å; E1274-K1277 WeakPolarHBondContact OE2-CE 3.27Å; E1274-K1277 IonicContact OE2-NZ 2.76Å; E1274-K1277 PolarHBondContact OE2-NZ 3.43Å; K1277-M1279 VanDerWaalsContact C-N 3.32Å; K1277-M1279 PolarHBondContact O-N 2.92Å; K1277-E1280 PolarHBondContact O-N 3.46Å; K1277-N1281 WeakPolarHBondContact O-CB 3.41Å; K1277-N1281 PolarHBondContact O-N 3.28Å; K1277-L1514 HydrophobicContact CG-CD1 4.25Å |
| 1278 | K | 92.9 | Very high | 93.7 | Very high | 129 Ų | 129 | 34.2 Ų | 34.2 | 56% | 0.561 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -60.7 | -41.8 | 176.8 | -173.6 | -177.8 | 178.7 | -174 | 0 | 110.9 | E1274 S1275 Y1276 N1281 T1282 | E1274-K1278 WeakPolarHBondContact O-CB 3.45Å; E1274-K1278 PolarHBondContact O-N 3.16Å; S1275-K1278 PolarHBondContact O-N 3.01Å; Y1276-K1278 VanDerWaalsContact C-N 3.26Å; Y1276-K1278 PolarHBondContact O-N 3.46Å; K1278-N1281 PolarHBondContact O-N 2.84Å; K1278-T1282 WeakPolarHBondContact O-CB 3.45Å; K1278-T1282 PolarHBondContact O-N 3.31Å; K1278-T1282 PolarHBondContact O-OG1 2.93Å; K1278-T1282 VanDerWaalsContact O-OG1 3.13Å |
| 1279 | M | 94.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.034 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.9 | -44.3 | 177.2 | -173.8 | 170.8 | 57 | 0 | 0 | 113.3 | L1186 A1189 M1193 L1228 S1275 Y1276 K1277 N1281 T1282 Y1283 | L1186-M1279 HydrophobicContact CD2-CE 4.31Å; A1189-M1279 HydrophobicContact CB-SD 3.72Å; M1193-M1279 HydrophobicContact CE-CG 4.11Å; L1228-M1279 HydrophobicContact CD2-CE 4.12Å; L1228-M1279 HydrophobicContact CD2-CG 3.83Å; L1228-M1279 HydrophobicContact CD2-SD 4.42Å; S1275-M1279 PolarHBondContact O-N 2.96Å; Y1276-M1279 WeakPolarHBondContact O-CB 3.42Å; Y1276-M1279 PolarHBondContact O-N 3.46Å; K1277-M1279 VanDerWaalsContact C-N 3.32Å; K1277-M1279 PolarHBondContact O-N 2.92Å; M1279-N1281 VanDerWaalsContact C-N 3.29Å; M1279-N1281 PolarHBondContact O-N 2.97Å; M1279-T1282 PolarHBondContact O-N 3.38Å; M1279-Y1283 PolarHBondContact O-N 3.25Å |
| 1280 | E | 95.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.1 | -35.8 | 174.6 | -169.3 | 101.1 | -157.8 | 0 | 0 | 110.7 | L1228 H1232 Y1276 K1277 K1284 M1510 I1513 L1514 N1517 | L1228-E1280 HydrophobicContact CD1-CG 4.47Å; L1228-E1280 HydrophobicContact CD2-CB 4.42Å; H1232-E1280 IonicContact CD2-OE2 2.69Å; H1232-E1280 IonicContact CE1-OE1 3.81Å; H1232-E1280 IonicContact CE1-OE2 3.86Å; H1232-E1280 IonicContact NE2-OE1 2.72Å; H1232-E1280 PolarHBondContact NE2-OE1 2.84Å; H1232-E1280 VanDerWaalsContact NE2-OE1 3.13Å; H1232-E1280 IonicContact NE2-OE2 3.75Å; H1232-E1280 PolarHBondContact NE2-OE2 3.2Å; Y1276-E1280 HydrophobicContact CE2-CB 4.13Å; Y1276-E1280 WeakPolarHBondContact CE2-OE2 3.42Å; Y1276-E1280 PolarHBondContact O-N 2.92Å; Y1276-E1280 PolarHBondContact OH-OE2 3.32Å; K1277-E1280 PolarHBondContact O-N 3.46Å; E1280-K1284 WeakPolarHBondContact O-CB 3.47Å; E1280-K1284 PolarHBondContact O-N 3.36Å; E1280-M1510 HydrophobicContact CG-SD 4.39Å; E1280-I1513 HydrophobicContact CG-CG2 4.48Å; E1280-I1513 WeakPolarHBondContact OE1-CG2 3.39Å; E1280-L1514 HydrophobicContact CB-CD2 4.37Å; E1280-L1514 HydrophobicContact CG-CD2 4.06Å; E1280-N1517 PolarHBondContact OE1-ND2 3Å; E1280-N1517 PolarHBondContact OE2-ND2 3.41Å |
| 1281 | N | 95.8 | Very high | 92.9 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 8% | 0.08 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.6 | -46.3 | 171.7 | -179.2 | 73.2 | 0 | 0 | 0 | 113.3 | K1277 K1278 M1279 K1284 L1285 R1352 Q1353 F1354 M1510 | K1277-N1281 WeakPolarHBondContact O-CB 3.41Å; K1277-N1281 PolarHBondContact O-N 3.28Å; K1278-N1281 PolarHBondContact O-N 2.84Å; M1279-N1281 VanDerWaalsContact C-N 3.29Å; M1279-N1281 PolarHBondContact O-N 2.97Å; N1281-K1284 PolarHBondContact O-N 2.81Å; N1281-L1285 WeakPolarHBondContact O-CG 3.32Å; N1281-L1285 PolarHBondContact O-N 3.12Å; N1281-R1352 PolarHBondContact ND2-O 3.17Å; N1281-Q1353 VanDerWaalsContact OD1-CA 3.28Å; N1281-Q1353 WeakPolarHBondContact OD1-CA 3.21Å; N1281-F1354 PolarHBondContact OD1-N 3.1Å; N1281-M1510 HydrophobicContact CB-CE 3.85Å |
| 1282 | T | 95.1 | Very high | 92.8 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.043 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.2 | -52.4 | 173.3 | -71.6 | 0 | 0 | 0 | 0 | 110.3 | M1193 L1194 K1278 M1279 K1284 L1285 L1286 Y1348 | M1193-T1282 HydrophobicContact SD-CG2 4Å; L1194-T1282 HydrophobicContact CD2-CG2 3.49Å; L1194-T1282 VanDerWaalsContact CD2-CG2 3.49Å; L1194-T1282 HydrophobicContact CG-CG2 4.13Å; K1278-T1282 WeakPolarHBondContact O-CB 3.45Å; K1278-T1282 PolarHBondContact O-N 3.31Å; K1278-T1282 PolarHBondContact O-OG1 2.93Å; K1278-T1282 VanDerWaalsContact O-OG1 3.13Å; M1279-T1282 PolarHBondContact O-N 3.38Å; T1282-K1284 VanDerWaalsContact C-N 3.32Å; T1282-K1284 PolarHBondContact O-N 3.01Å; T1282-L1285 PolarHBondContact O-N 3.18Å; T1282-L1286 HydrophobicContact CG2-CD1 4.16Å; T1282-L1286 WeakPolarHBondContact O-CG 3.36Å; T1282-L1286 PolarHBondContact O-N 3.13Å; T1282-Y1348 HydrophobicContact CG2-CD2 4.43Å; T1282-Y1348 HydrophobicContact CG2-CE2 3.91Å |
| 1283 | Y | 94.7 | Very high | 92.5 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 6% | 0.059 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -53.8 | -47.9 | 175.8 | 165.3 | -111.5 | 0 | 0 | 0 | 111.9 | Y1224 V1225 L1228 M1279 L1285 L1286 E1287 | Y1224-Y1283 VanDerWaalsContact CB-CD2 3.44Å; Y1224-Y1283 HydrophobicContact CD2-CD2 4.16Å; Y1224-Y1283 HydrophobicContact CG-CD2 4.29Å; V1225-Y1283 HydrophobicContact CG2-CE1 3.76Å; V1225-Y1283 HydrophobicContact CG2-CE2 3.98Å; V1225-Y1283 VanDerWaalsContact CG2-CZ 3.43Å; V1225-Y1283 WeakPolarHBondContact CG2-OH 3.37Å; L1228-Y1283 HydrophobicContact CD1-CD1 3.61Å; L1228-Y1283 HydrophobicContact CD1-CE1 4.37Å; L1228-Y1283 HydrophobicContact CD1-CG 3.92Å; M1279-Y1283 PolarHBondContact O-N 3.25Å; Y1283-L1285 PolarHBondContact O-N 3.33Å; Y1283-L1286 CarbonylContact O-C 3.58Å; Y1283-L1286 PolarHBondContact O-N 3.01Å; Y1283-L1286 VanDerWaalsContact O-N 3.1Å; Y1283-E1287 HydrophobicContact CE2-CB 4.36Å; Y1283-E1287 PolarHBondContact O-N 3.02Å |
| 1284 | K | 95.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.017 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65 | -37.2 | -177.4 | -172 | 47 | 167 | 163.7 | 0 | 112.8 | E1280 N1281 T1282 L1286 E1287 I1288 F1354 E1357 S1497 M1510 I1513 | E1280-K1284 WeakPolarHBondContact O-CB 3.47Å; E1280-K1284 PolarHBondContact O-N 3.36Å; N1281-K1284 PolarHBondContact O-N 2.81Å; T1282-K1284 VanDerWaalsContact C-N 3.32Å; T1282-K1284 PolarHBondContact O-N 3.01Å; K1284-L1286 VanDerWaalsContact C-N 3.34Å; K1284-E1287 WeakPolarHBondContact CD-OE2 3.25Å; K1284-E1287 WeakPolarHBondContact CE-OE2 3.41Å; K1284-E1287 IonicContact NZ-OE2 2.68Å; K1284-E1287 PolarHBondContact NZ-OE2 2.82Å; K1284-I1288 HydrophobicContact CD-CD1 4.06Å; K1284-I1288 HydrophobicContact CD-CG1 4.37Å; K1284-I1288 HydrophobicContact CG-CD1 4.12Å; K1284-I1288 WeakPolarHBondContact O-CB 3.18Å; K1284-I1288 WeakPolarHBondContact O-CD1 3.42Å; K1284-I1288 VanDerWaalsContact O-CG1 3.26Å; K1284-I1288 WeakPolarHBondContact O-CG1 3.33Å; K1284-I1288 PolarHBondContact O-N 3.34Å; K1284-I1288 VanDerWaalsContact O-N 3.09Å; K1284-F1354 HydrophobicContact CB-CD1 4.47Å; K1284-F1354 HydrophobicContact CD-CD1 4.37Å; K1284-F1354 HydrophobicContact CD-CE1 4.34Å; K1284-F1354 HydrophobicContact CG-CB 4.06Å; K1284-F1354 HydrophobicContact CG-CD1 3.4Å; K1284-F1354 HydrophobicContact CG-CD2 4.25Å; K1284-F1354 HydrophobicContact CG-CE1 3.83Å; K1284-F1354 HydrophobicContact CG-CG 3.62Å; K1284-F1354 HydrophobicContact CG-CZ 4.41Å; K1284-E1357 WeakPolarHBondContact CE-OE2 3.16Å; K1284-E1357 IonicContact NZ-OE1 3.87Å; K1284-E1357 PolarHBondContact NZ-OE1 2.99Å; K1284-E1357 IonicContact NZ-OE2 3.59Å; K1284-E1357 PolarHBondContact NZ-OE2 2.88Å; K1284-S1497 PolarHBondContact NZ-OG 3.42Å; K1284-M1510 HydrophobicContact CB-CE 4.17Å; K1284-M1510 HydrophobicContact CG-CE 4.45Å; K1284-I1513 HydrophobicContact CD-CD1 4.35Å |
| 1285 | L | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.2 | -35.5 | 172.4 | -68.7 | 175.7 | 0 | 0 | 0 | 112 | N1281 T1282 Y1283 Q1289 I1347 Y1348 R1352 F1354 L1376 | N1281-L1285 WeakPolarHBondContact O-CG 3.32Å; N1281-L1285 PolarHBondContact O-N 3.12Å; T1282-L1285 PolarHBondContact O-N 3.18Å; Y1283-L1285 PolarHBondContact O-N 3.33Å; L1285-Q1289 WeakPolarHBondContact O-CB 3.49Å; L1285-Q1289 PolarHBondContact O-N 3.42Å; L1285-I1347 HydrophobicContact CD2-CG2 4.18Å; L1285-Y1348 HydrophobicContact CB-CD2 4.47Å; L1285-Y1348 HydrophobicContact CD1-CD2 4.42Å; L1285-R1352 HydrophobicContact CD1-CB 4.44Å; L1285-R1352 HydrophobicContact CD1-CG 4.23Å; L1285-R1352 HydrophobicContact CD2-CG 4.26Å; L1285-F1354 HydrophobicContact CD2-CB 4.34Å; L1285-L1376 HydrophobicContact CD2-CD2 4.04Å |
| 1286 | L | 92.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -74.2 | -35.8 | 176.2 | -62.5 | -178.1 | 0 | 0 | 0 | 113.2 | M1193 E1197 Y1224 T1282 Y1283 K1284 Q1289 R1290 Y1348 | M1193-L1286 HydrophobicContact CG-CD1 4.41Å; E1197-L1286 HydrophobicContact CB-CD1 4.11Å; E1197-L1286 HydrophobicContact CG-CD1 4.03Å; E1197-L1286 HydrophobicContact CG-CD2 3.76Å; Y1224-L1286 HydrophobicContact CE2-CD1 4.21Å; T1282-L1286 HydrophobicContact CG2-CD1 4.16Å; T1282-L1286 WeakPolarHBondContact O-CG 3.36Å; T1282-L1286 PolarHBondContact O-N 3.13Å; Y1283-L1286 CarbonylContact O-C 3.58Å; Y1283-L1286 PolarHBondContact O-N 3.01Å; Y1283-L1286 VanDerWaalsContact O-N 3.1Å; K1284-L1286 VanDerWaalsContact C-N 3.34Å; L1286-Q1289 PolarHBondContact O-N 3.05Å; L1286-R1290 WeakPolarHBondContact O-CB 3.17Å; L1286-R1290 WeakPolarHBondContact O-CG 3.37Å; L1286-R1290 PolarHBondContact O-N 3.49Å; L1286-Y1348 HydrophobicContact CD2-CD2 4.38Å; L1286-Y1348 HydrophobicContact CD2-CG 4.41Å |
| 1287 | E | 91.5 | Very high | 87.1 | Confident | 18 Ų | 18 | 31 Ų | 31 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.7 | -53.3 | 169.1 | -174.8 | -169.5 | -162 | 0 | 0 | 109.7 | Y1283 K1284 Q1289 R1290 D1291 T1496 S1497 | Y1283-E1287 HydrophobicContact CE2-CB 4.36Å; Y1283-E1287 PolarHBondContact O-N 3.02Å; K1284-E1287 WeakPolarHBondContact CD-OE2 3.25Å; K1284-E1287 WeakPolarHBondContact CE-OE2 3.41Å; K1284-E1287 IonicContact NZ-OE2 2.68Å; K1284-E1287 PolarHBondContact NZ-OE2 2.82Å; E1287-Q1289 VanDerWaalsContact C-N 3.32Å; E1287-Q1289 PolarHBondContact O-N 3.31Å; E1287-R1290 PolarHBondContact O-N 3.48Å; E1287-D1291 PolarHBondContact O-N 3.29Å; E1287-T1496 HydrophobicContact CG-CG2 4.22Å; E1287-T1496 WeakPolarHBondContact OE1-CB 3.49Å; E1287-S1497 VanDerWaalsContact CD-OG 3.27Å; E1287-S1497 PolarHBondContact OE1-N 3.47Å; E1287-S1497 VanDerWaalsContact OE1-N 3.17Å; E1287-S1497 PolarHBondContact OE1-OG 3.48Å; E1287-S1497 PolarHBondContact OE2-OG 3.14Å |
| 1288 | I | 92.5 | Very high | 84.4 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -37.6 | 179.2 | -69.4 | 167.8 | 0 | 0 | 0 | 111.6 | K1284 D1291 L1292 I1347 F1354 F1374 | K1284-I1288 HydrophobicContact CD-CD1 4.06Å; K1284-I1288 HydrophobicContact CD-CG1 4.37Å; K1284-I1288 HydrophobicContact CG-CD1 4.12Å; K1284-I1288 WeakPolarHBondContact O-CB 3.18Å; K1284-I1288 WeakPolarHBondContact O-CD1 3.42Å; K1284-I1288 VanDerWaalsContact O-CG1 3.26Å; K1284-I1288 WeakPolarHBondContact O-CG1 3.33Å; K1284-I1288 PolarHBondContact O-N 3.34Å; K1284-I1288 VanDerWaalsContact O-N 3.09Å; I1288-D1291 PolarHBondContact O-N 3.45Å; I1288-L1292 HydrophobicContact CG2-CD1 3.55Å; I1288-L1292 HydrophobicContact CG2-CG 4.48Å; I1288-L1292 WeakPolarHBondContact O-CB 3.49Å; I1288-L1292 PolarHBondContact O-N 3.33Å; I1288-L1292 VanDerWaalsContact O-N 3.13Å; I1288-I1347 HydrophobicContact CG2-CD1 4.13Å; I1288-I1347 HydrophobicContact CG2-CG2 4.27Å; I1288-F1354 HydrophobicContact CD1-CD2 3.46Å; I1288-F1354 VanDerWaalsContact CD1-CD2 3.46Å; I1288-F1354 HydrophobicContact CD1-CE2 3.62Å; I1288-F1354 HydrophobicContact CD1-CG 4.24Å; I1288-F1354 HydrophobicContact CD1-CZ 4.49Å; I1288-F1374 HydrophobicContact CD1-CD1 4.01Å; I1288-F1374 HydrophobicContact CD1-CE1 4.45Å; I1288-F1374 HydrophobicContact CG1-CD1 4.13Å; I1288-F1374 HydrophobicContact CG1-CE1 4.11Å; I1288-F1374 HydrophobicContact CG2-CD1 3.98Å; I1288-F1374 HydrophobicContact CG2-CE1 4.14Å; I1288-F1374 HydrophobicContact CG2-CG 4.48Å |
| 1289 | Q | 91.2 | Very high | 82.1 | Confident | 18 Ų | 18 | 30.5 Ų | 30.5 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67 | -32.1 | 176.9 | -174.4 | 166.1 | -89.7 | 0 | 0 | 113.7 | L1285 L1286 E1287 L1344 G1345 I1347 Y1348 | L1285-Q1289 WeakPolarHBondContact O-CB 3.49Å; L1285-Q1289 PolarHBondContact O-N 3.42Å; L1286-Q1289 PolarHBondContact O-N 3.05Å; E1287-Q1289 VanDerWaalsContact C-N 3.32Å; E1287-Q1289 PolarHBondContact O-N 3.31Å; Q1289-L1344 PolarHBondContact NE2-O 3.16Å; Q1289-G1345 VanDerWaalsContact OE1-CA 3.26Å; Q1289-I1347 HydrophobicContact CB-CB 4.1Å; Q1289-I1347 HydrophobicContact CG-CB 4.31Å; Q1289-I1347 VanDerWaalsContact OE1-N 3.14Å; Q1289-Y1348 VanDerWaalsContact OE1-N 3.09Å |
| 1290 | R | 86.7 | Confident | 79.3 | Confident | 37 Ų | 37 | 35 Ų | 35 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -81.8 | -21.7 | 178.9 | -75.9 | 169.6 | 44.4 | 151 | -6.6 | 113.4 | E1214 L1286 E1287 | E1214-R1290 IonicContact OE1-NH2 2.66Å; E1214-R1290 IonicContact OE2-CZ 3.88Å; E1214-R1290 IonicContact OE2-NH1 3.15Å; E1214-R1290 IonicContact OE2-NH2 3.09Å; E1214-R1290 PolarHBondContact OE2-NH2 2.96Å; L1286-R1290 WeakPolarHBondContact O-CB 3.17Å; L1286-R1290 WeakPolarHBondContact O-CG 3.37Å; L1286-R1290 PolarHBondContact O-N 3.49Å; E1287-R1290 PolarHBondContact O-N 3.48Å |
| 1291 | D | 88.5 | Confident | 76.1 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -92.9 | -20 | 178.1 | -75.8 | -1.9 | 0 | 0 | 0 | 113.6 | E1287 I1288 Q1392 F1393 T1496 H1499 | E1287-D1291 PolarHBondContact O-N 3.29Å; I1288-D1291 PolarHBondContact O-N 3.45Å; D1291-Q1392 WeakPolarHBondContact O-CA 3.42Å; D1291-F1393 PolarHBondContact O-N 3.32Å; D1291-T1496 WeakPolarHBondContact OD2-CB 3.44Å; D1291-T1496 VanDerWaalsContact OD2-CG2 3.3Å; D1291-T1496 WeakPolarHBondContact OD2-CG2 3.33Å; D1291-T1496 PolarHBondContact OD2-OG1 2.82Å; D1291-H1499 IonicContact OD1-CE1 2.72Å; D1291-H1499 IonicContact OD2-CE1 2.65Å; D1291-H1499 PolarHBondContact OD2-CE1 3.06Å; D1291-H1499 IonicContact OD2-ND1 3.98Å |
| 1292 | L | 89.9 | Confident | 72.8 | Confident | 15 Ų | 15 | 42.1 Ų | 42.1 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 144.3 | 179.5 | -77.8 | 168.4 | 0 | 0 | 0 | 113.6 | I1288 I1347 F1374 A1383 F1393 V1395 | I1288-L1292 HydrophobicContact CG2-CD1 3.55Å; I1288-L1292 HydrophobicContact CG2-CG 4.48Å; I1288-L1292 WeakPolarHBondContact O-CB 3.49Å; I1288-L1292 PolarHBondContact O-N 3.33Å; I1288-L1292 VanDerWaalsContact O-N 3.13Å; L1292-I1347 HydrophobicContact CB-CD1 4.09Å; L1292-I1347 HydrophobicContact CD1-CD1 3.39Å; L1292-I1347 HydrophobicContact CG-CD1 4.37Å; L1292-F1374 HydrophobicContact CD1-CD2 4.19Å; L1292-F1374 HydrophobicContact CD1-CE2 4.04Å; L1292-F1374 HydrophobicContact CD1-CZ 4.36Å; L1292-F1374 HydrophobicContact CD2-CE2 3.88Å; L1292-F1374 HydrophobicContact CD2-CZ 4.38Å; L1292-F1374 HydrophobicContact CG-CE2 4.29Å; L1292-F1374 HydrophobicContact CG-CZ 4.45Å; L1292-A1383 HydrophobicContact CD2-CB 3.64Å; L1292-F1393 CarbonylContact C-O 3.57Å; L1292-F1393 WeakPolarHBondContact CA-O 3.43Å; L1292-F1393 HydrophobicContact CD2-CB 3.74Å; L1292-F1393 WeakPolarHBondContact CD2-O 3.45Å; L1292-V1395 HydrophobicContact CD2-CG2 3.95Å |
| 1293 | I | 87.9 | Confident | 69.5 | Low | 58 Ų | 58 | 46.5 Ų | 46.5 | 30% | 0.297 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 163.3 | 174.3 | 68.7 | 168.3 | 0 | 0 | 0 | 112 | T1386 Q1392 F1393 K1394 V1395 | I1293-T1386 HydrophobicContact CD1-CG2 3.73Å; I1293-T1386 HydrophobicContact CG1-CG2 4.35Å; I1293-Q1392 HydrophobicContact CG2-CB 4.26Å; I1293-Q1392 HydrophobicContact CG2-CG 4.36Å; I1293-F1393 PolarHBondContact N-O 3.03Å; I1293-K1394 HydrophobicContact CG1-CB 4.13Å; I1293-K1394 WeakPolarHBondContact O-CA 3.35Å; I1293-V1395 PolarHBondContact O-N 3.17Å |
| 1294 | G | 78.6 | Confident | 66.3 | Low | 47 Ų | 47 | 51.8 Ų | 51.8 | 49% | 0.485 | 31% | 0.305 | S | S | . | . | trans | 72.1 | 34.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1295 | F | 71.2 | Confident | 63 | Low | 29 Ų | 29 | 59.6 Ų | 59.6 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | trans | -89.7 | 116.2 | 177.5 | -154.4 | -64.1 | 0 | 0 | 0 | 109.4 | P1346 I1347 I1381 V1395 | F1295-P1346 HydrophobicContact CB-CB 4.26Å; F1295-P1346 HydrophobicContact CB-CG 4.21Å; F1295-P1346 HydrophobicContact CD1-CB 3.58Å; F1295-P1346 HydrophobicContact CD1-CG 4.4Å; F1295-P1346 HydrophobicContact CE1-CB 4.01Å; F1295-P1346 HydrophobicContact CG-CB 3.91Å; F1295-P1346 HydrophobicContact CG-CG 4.24Å; F1295-I1347 HydrophobicContact CD2-CD1 3.73Å; F1295-I1347 HydrophobicContact CD2-CG1 3.67Å; F1295-I1347 HydrophobicContact CE2-CD1 3.66Å; F1295-I1347 HydrophobicContact CE2-CG1 3.39Å; F1295-I1347 HydrophobicContact CZ-CG1 4.09Å; F1295-I1381 HydrophobicContact CE2-CD1 3.51Å; F1295-I1381 HydrophobicContact CZ-CD1 3.71Å; F1295-V1395 HydrophobicContact CD2-CG2 3.98Å | ||
| 1296 | N | 55.2 | Low | 59.6 | Low | 98 Ų | 98 | 64.6 Ų | 64.6 | 52% | 0.524 | 38% | 0.381 | S | S | . | . | trans | -82 | 126 | 172.7 | -75.6 | 32.3 | 0 | 0 | 0 | 109.5 | D1298 | N1296-D1298 VanDerWaalsContact C-N 3.26Å; N1296-D1298 PolarHBondContact O-N 3.39Å | ||
| 1297 | P | 52.5 | Low | 56.4 | Low | 80 Ų | 80 | 72.9 Ų | 72.9 | 52% | 0.519 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -71.4 | -22.4 | 178.6 | 29.6 | -33.8 | 0 | 0 | 0 | 112.9 | I1299 I1300 | P1297-I1299 PolarHBondContact O-N 3.1Å; P1297-I1300 PolarHBondContact O-N 3.13Å; P1297-I1300 VanDerWaalsContact O-N 3.16Å |
| 1298 | D | 37 | Very low | 53.2 | Low | 88 Ų | 88 | 83.1 Ų | 83.1 | 47% | 0.471 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -65.4 | -14.3 | -164.1 | -37.6 | -59.7 | 0 | 0 | 0 | 114.7 | N1296 I1300 S1301 S1302 | N1296-D1298 VanDerWaalsContact C-N 3.26Å; N1296-D1298 PolarHBondContact O-N 3.39Å; D1298-I1300 PolarHBondContact O-N 2.94Å; D1298-S1301 PolarHBondContact O-N 3.24Å; D1298-S1301 PolarHBondContact O-OG 2.85Å; D1298-S1302 WeakPolarHBondContact O-CB 3.32Å; D1298-S1302 PolarHBondContact O-N 2.88Å; D1298-S1302 PolarHBondContact O-OG 3.14Å |
| 1299 | I | 43 | Very low | 49.8 | Very low | 92 Ų | 92 | 88.5 Ų | 88.5 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -74.4 | -9.2 | 178.5 | -64.7 | 178.1 | 0 | 0 | 0 | 112 | P1297 | P1297-I1299 PolarHBondContact O-N 3.1Š|
| 1300 | I | 35.6 | Very low | 46.6 | Very low | 101 Ų | 101 | 95.9 Ų | 95.9 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -98.2 | -9.5 | 176.6 | -60.8 | 178 | 0 | 0 | 0 | 112.1 | P1297 D1298 | P1297-I1300 PolarHBondContact O-N 3.13Å; P1297-I1300 VanDerWaalsContact O-N 3.16Å; D1298-I1300 PolarHBondContact O-N 2.94Å |
| 1301 | S | 29 | Very low | 43.8 | Very low | 77 Ų | 77 | 102.4 Ų | 102.4 | 54% | 0.538 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.2 | -4.6 | -176 | 52.8 | 0 | 0 | 0 | 0 | 115.2 | D1298 S1303 | D1298-S1301 PolarHBondContact O-N 3.24Å; D1298-S1301 PolarHBondContact O-OG 2.85Å; S1301-S1303 VanDerWaalsContact C-N 3.33Å; S1301-S1303 PolarHBondContact O-N 3.45Å |
| 1302 | S | 25.2 | Very low | 40.8 | Very low | 89 Ų | 89 | 109.2 Ų | 109.2 | 62% | 0.622 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 14.8 | -173.5 | 60 | 0 | 0 | 0 | 0 | 115.9 | D1298 | D1298-S1302 WeakPolarHBondContact O-CB 3.32Å; D1298-S1302 PolarHBondContact O-N 2.88Å; D1298-S1302 PolarHBondContact O-OG 3.14Å |
| 1303 | S | 27.3 | Very low | 37.7 | Very low | 99 Ų | 99 | 115.3 Ų | 115.3 | 69% | 0.692 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -32.1 | 178.9 | -65.1 | 0 | 0 | 0 | 0 | 114.1 | S1301 | S1301-S1303 VanDerWaalsContact C-N 3.33Å; S1301-S1303 PolarHBondContact O-N 3.45Å |
| 1304 | D | 27.4 | Very low | 34.8 | Very low | 127 Ų | 127 | 119.1 Ų | 119.1 | 68% | 0.679 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -109.7 | -6.9 | -168.7 | -64.2 | -52.2 | 0 | 0 | 0 | 114.3 | S1306 | D1304-S1306 VanDerWaalsContact C-N 3.33Å; D1304-S1306 PolarHBondContact O-N 3.02Å |
| 1305 | L | 24.5 | Very low | 32.4 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 87% | 0.874 | 66% | 0.663 | S | S | * | * | trans | -90.5 | 51.5 | 179.8 | -103.6 | 76.7 | 0 | 0 | 0 | 113.7 | ||||
| 1306 | S | 23.9 | Very low | 30.2 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -142.1 | 34.4 | 171.1 | 78.6 | 0 | 0 | 0 | 0 | 114.7 | D1304 | D1304-S1306 VanDerWaalsContact C-N 3.33Å; D1304-S1306 PolarHBondContact O-N 3.02Å |
| 1307 | Q | 25.5 | Very low | 28.9 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -130 | 3.9 | 173.5 | -69.7 | -162.3 | 1.1 | 0 | 0 | 116.1 | ||
| 1308 | Y | 24.3 | Very low | 27.8 | Very low | 233 Ų | 233 | 136.5 Ų | 136.5 | 91% | 0.914 | 72% | 0.719 | S | S | * | * | trans | -129.8 | 84.7 | 174.9 | -81.8 | -79.8 | 0 | 0 | 0 | 112.7 | ||||
| 1309 | S | 21.6 | Very low | 27.4 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -146.1 | 52.8 | 170 | 69.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1310 | H | 24.6 | Very low | 26.7 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | -149.5 | 86.5 | 170.8 | -137.5 | -66.8 | 0 | 0 | 0 | 113.2 | ||||
| 1311 | L | 28 | Very low | 26.4 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 91% | 0.911 | 75% | 0.748 | S | S | * | * | trans | -163.8 | 143.6 | 137.5 | -102.4 | 168.6 | 0 | 0 | 0 | 107.3 | ||||
| 1312 | Q | 25.2 | Very low | 26.5 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | trans | -105 | 159.8 | -167 | -66.2 | 170 | -86.9 | 0 | 0 | 112.3 | ||||
| 1313 | N | 24.4 | Very low | 26.7 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | 24.6 | 125.1 | 145.5 | -56.9 | -11.9 | 0 | 0 | 0 | 118.8 | ||||
| 1314 | E | 26.3 | Very low | 26.8 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | -161.2 | 153.9 | 104.5 | -113.8 | -162.4 | 150.7 | 0 | 0 | 115.2 | |||||
| 1315 | R | 29 | Very low | 27.1 | Very low | 205 Ų | 205 | 146.3 Ų | 146.3 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | trans | 60.9 | 111.6 | 154 | -67.6 | 176.5 | 179.2 | 125 | 7.7 | 121.2 | ||||
| 1316 | N | 25.2 | Very low | 27.3 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | trans | -74.8 | 149.5 | 146.3 | -54 | -48.3 | 0 | 0 | 0 | 110.4 | ||||
| 1317 | N | 28.2 | Very low | 27.8 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | -176.7 | 161.8 | 110.8 | -133 | -12.2 | 0 | 0 | 0 | 115.9 | |||||
| 1318 | C | 29.5 | Very low | 27.9 | Very low | 102 Ų | 102 | 149.2 Ų | 149.2 | 69% | 0.689 | 75% | 0.751 | S | S | * | * | trans | 62.7 | 86.6 | 151.8 | -64.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1319 | N | 28.2 | Very low | 28.3 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | 29.3 | 133.3 | 117.9 | -75.8 | 10.6 | 0 | 0 | 0 | 124.4 | |||||
| 1320 | N | 28.8 | Very low | 28.7 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | 105.3 | 123.5 | 123.4 | -79.6 | 12.9 | 0 | 0 | 0 | 124.1 | |||||
| 1321 | N | 29.3 | Very low | 28.9 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | 88 | 115.6 | 135.9 | -66.7 | 4.5 | 0 | 0 | 0 | 122.9 | ||||
| 1322 | N | 29.9 | Very low | 28.8 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | 68.6 | 147 | 127.9 | -58.4 | 8 | 0 | 0 | 0 | 119.2 | |||||
| 1323 | N | 30.1 | Very low | 28.9 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 67% | 0.674 | 75% | 0.745 | S | S | * | * | cis | -161.9 | 164.1 | -2.6 | -117.1 | 12.9 | 0 | 0 | 0 | 112 | ||||
| 1324 | N | 30.1 | Very low | 29 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 63% | 0.631 | 75% | 0.749 | S | S | * | * | trans | 79.7 | 135.2 | 142.4 | -85.6 | 49.1 | 0 | 0 | 0 | 125.7 | ||||
| 1325 | D | 33 | Very low | 29 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | trans | 91.7 | 94.5 | 134.3 | -62.1 | -26.7 | 0 | 0 | 0 | 125.3 | ||||
| 1326 | N | 28.3 | Very low | 29 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | 62.8 | 112.5 | 118.4 | -55.7 | -38.1 | 0 | 0 | 0 | 122.7 | |||||
| 1327 | K | 33.9 | Very low | 29 | Very low | 208 Ų | 208 | 132.5 Ų | 132.5 | 90% | 0.904 | 73% | 0.73 | S | S | * | * | -173.4 | 167.7 | 94.9 | -105.5 | 174.2 | -179.3 | 174.4 | 0 | 114.6 | |||||
| 1328 | Q | 27.9 | Very low | 29.1 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 77% | 0.771 | 72% | 0.715 | S | S | * | * | trans | -90.1 | 162.3 | -175.1 | -62.3 | 157 | -50.2 | 0 | 0 | 112.5 | ||||
| 1329 | T | 33.2 | Very low | 28.8 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | -169.4 | 165.6 | 94.8 | 25.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1330 | H | 28.7 | Very low | 28.8 | Very low | 161 Ų | 161 | 125.8 Ų | 125.8 | 75% | 0.745 | 71% | 0.705 | S | S | * | * | trans | -108.8 | 160.3 | -170 | -65.4 | -90.8 | 0 | 0 | 0 | 114 | ||||
| 1331 | N | 30.6 | Very low | 29.1 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | -169.1 | 126.7 | 117.2 | -96.5 | -14.3 | 0 | 0 | 0 | 116.1 | |||||
| 1332 | S | 25.6 | Very low | 29.8 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | trans | 4.2 | 126.6 | 153.7 | -47.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1333 | T | 27.2 | Very low | 31.4 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 82% | 0.816 | 71% | 0.706 | S | S | * | * | -166.8 | 120.4 | 120.6 | -72.8 | 0 | 0 | 0 | 0 | 109 | |||||
| 1334 | S | 26.2 | Very low | 33.6 | Very low | 122 Ų | 122 | 119.1 Ų | 119.1 | 85% | 0.853 | 68% | 0.681 | S | S | * | * | trans | -110 | 79.5 | -171.8 | 37.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1335 | T | 26.8 | Very low | 35.7 | Very low | 111 Ų | 111 | 114 Ų | 114 | 68% | 0.681 | 66% | 0.656 | S | S | * | * | trans | -69.1 | 144.8 | 158.6 | 31.5 | 0 | 0 | 0 | 0 | 110.7 | T1337 | T1335-T1337 PolarHBondContact O-N 2.91Š| ||
| 1336 | L | 27.3 | Very low | 38 | Very low | 107 Ų | 107 | 110.5 Ų | 110.5 | 56% | 0.56 | 64% | 0.64 | S | S | * | * | trans | -75.6 | 61.4 | -177.9 | -101.8 | 164.7 | 0 | 0 | 0 | 113.1 | E1106 I1338 | E1106-L1336 VanDerWaalsContact OE1-CD1 3.31Å; E1106-L1336 WeakPolarHBondContact OE1-CD1 3.48Å; E1106-L1336 WeakPolarHBondContact OE2-CD1 3.47Å; L1336-I1338 VanDerWaalsContact C-N 3.33Å; L1336-I1338 HydrophobicContact CD2-CD1 4.18Å; L1336-I1338 HydrophobicContact CD2-CG1 4.08Å; L1336-I1338 PolarHBondContact O-N 2.99Å | ||
| 1337 | T | 25.5 | Very low | 40.8 | Very low | 103 Ų | 103 | 104.2 Ų | 104.2 | 63% | 0.632 | 61% | 0.606 | S | S | * | * | trans | -78.8 | 78.8 | 175.1 | -48.9 | 0 | 0 | 0 | 0 | 110.1 | T1335 C1339 | T1335-T1337 PolarHBondContact O-N 2.91Å; T1337-C1339 PolarHBondContact O-N 3.03Å | ||
| 1338 | I | 30 | Very low | 43.5 | Very low | 96 Ų | 96 | 95.4 Ų | 95.4 | 49% | 0.492 | 57% | 0.567 | S | S | . | * | trans | -74.2 | 79.1 | 172.9 | -54.3 | -179.2 | 0 | 0 | 0 | 109.1 | L1336 | L1336-I1338 VanDerWaalsContact C-N 3.33Å; L1336-I1338 HydrophobicContact CD2-CD1 4.18Å; L1336-I1338 HydrophobicContact CD2-CG1 4.08Å; L1336-I1338 PolarHBondContact O-N 2.99Å | ||
| 1339 | C | 23.4 | Very low | 46.4 | Very low | 113 Ų | 113 | 91.8 Ų | 91.8 | 76% | 0.764 | 55% | 0.55 | S | S | * | * | trans | -73.3 | 135 | 164.8 | -85.5 | 0 | 0 | 0 | 0 | 110.1 | T1337 | T1337-C1339 PolarHBondContact O-N 3.03Š| ||
| 1340 | G | 28.5 | Very low | 48.9 | Very low | 48 Ų | 48 | 88.5 Ų | 88.5 | 50% | 0.495 | 53% | 0.531 | S | S | . | . | S | Bend | trans | 138.1 | 114.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | H1342 | G1340-H1342 PolarHBondContact O-CD2 2.89Å; G1340-H1342 PolarHBondContact O-N 2.96Å |
| 1341 | S | 35.5 | Very low | 51.8 | Low | 112 Ų | 112 | 84.8 Ų | 84.8 | 78% | 0.783 | 52% | 0.517 | S | S | * | . | trans | -75.5 | 51.4 | -176.8 | 41.6 | 0 | 0 | 0 | 0 | 112.8 | S1343 | S1341-S1343 PolarHBondContact O-N 3.01Å; S1341-S1343 VanDerWaalsContact O-N 3.16Å | ||
| 1342 | H | 44.5 | Very low | 54.8 | Low | 130 Ų | 130 | 77.6 Ų | 77.6 | 60% | 0.602 | 48% | 0.478 | S | S | * | . | trans | -61.2 | 115 | 176.7 | -63.6 | -68.7 | 0 | 0 | 0 | 110.6 | G1340 L1344 | G1340-H1342 PolarHBondContact O-CD2 2.89Å; G1340-H1342 PolarHBondContact O-N 2.96Å; H1342-L1344 PolarHBondContact O-N 2.67Å; H1342-L1344 VanDerWaalsContact O-N 3.12Å | ||
| 1343 | S | 64.2 | Low | 58.2 | Low | 89 Ų | 89 | 77.4 Ų | 77.4 | 62% | 0.622 | 47% | 0.466 | S | S | * | . | trans | -64.3 | 116.8 | -179 | 56.3 | 0 | 0 | 0 | 0 | 111.1 | S1341 G1345 | S1341-S1343 PolarHBondContact O-N 3.01Å; S1341-S1343 VanDerWaalsContact O-N 3.16Å; S1343-G1345 PolarHBondContact O-N 2.99Å | ||
| 1344 | L | 74.3 | Confident | 61.5 | Low | 28 Ų | 28 | 71.3 Ų | 71.3 | 15% | 0.147 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -57.5 | -14.6 | 173.2 | -95.1 | 158.4 | 0 | 0 | 0 | 113 | L1194 E1197 K1198 R1201 Q1289 H1342 Y1348 | L1194-L1344 HydrophobicContact CB-CD1 4.39Å; L1194-L1344 HydrophobicContact CD2-CD1 4.11Å; L1194-L1344 HydrophobicContact CD2-CD2 4.45Å; E1197-L1344 HydrophobicContact CB-CD2 3.77Å; E1197-L1344 HydrophobicContact CG-CD2 3.7Å; K1198-L1344 HydrophobicContact CG-CD1 4.4Å; K1198-L1344 HydrophobicContact CG-CD2 3.93Å; K1198-L1344 HydrophobicContact CG-CG 4.11Å; R1201-L1344 VanDerWaalsContact CZ-O 3.31Å; R1201-L1344 VanDerWaalsContact NE-C 3.31Å; R1201-L1344 PolarHBondContact NE-O 3.32Å; R1201-L1344 PolarHBondContact NH2-O 3.29Å; Q1289-L1344 PolarHBondContact NE2-O 3.16Å; H1342-L1344 PolarHBondContact O-N 2.67Å; H1342-L1344 VanDerWaalsContact O-N 3.12Å; L1344-Y1348 HydrophobicContact CB-CD1 3.46Å; L1344-Y1348 VanDerWaalsContact CB-CD1 3.46Å; L1344-Y1348 HydrophobicContact CB-CE1 4.08Å; L1344-Y1348 HydrophobicContact CB-CG 4.23Å; L1344-Y1348 HydrophobicContact CD1-CD1 4.05Å; L1344-Y1348 HydrophobicContact CD1-CE1 3.78Å; L1344-Y1348 HydrophobicContact CG-CD1 4.33Å |
| 1345 | G | 75.8 | Confident | 64.9 | Low | 11 Ų | 11 | 67.2 Ų | 67.2 | 11% | 0.113 | 40% | 0.396 | C | S | . | . | trans | 156.8 | -172.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 113 | R1201 Q1289 S1343 I1347 | R1201-G1345 VanDerWaalsContact CZ-CA 3.5Å; R1201-G1345 VanDerWaalsContact NH2-CA 3.27Å; Q1289-G1345 VanDerWaalsContact OE1-CA 3.26Å; S1343-G1345 PolarHBondContact O-N 2.99Å; G1345-I1347 VanDerWaalsContact C-N 3.29Å | ||
| 1346 | P | 80.2 | Confident | 68.2 | Low | 43 Ų | 43 | 62.2 Ų | 62.2 | 28% | 0.279 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -71.9 | -24.1 | 175.7 | 28.5 | -33.6 | 0 | 0 | 0 | 112.8 | F1295 R1352 | F1295-P1346 HydrophobicContact CB-CB 4.26Å; F1295-P1346 HydrophobicContact CB-CG 4.21Å; F1295-P1346 HydrophobicContact CD1-CB 3.58Å; F1295-P1346 HydrophobicContact CD1-CG 4.4Å; F1295-P1346 HydrophobicContact CE1-CB 4.01Å; F1295-P1346 HydrophobicContact CG-CB 3.91Å; F1295-P1346 HydrophobicContact CG-CG 4.24Å; P1346-R1352 PolarHBondContact O-NH1 3.4Å; P1346-R1352 VanDerWaalsContact O-NH1 3.16Å |
| 1347 | I | 87.7 | Confident | 71.5 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -103.4 | -40.7 | -176.1 | -63.4 | -170.3 | 0 | 0 | 0 | 112 | L1285 I1288 Q1289 L1292 F1295 G1345 H1349 R1352 | L1285-I1347 HydrophobicContact CD2-CG2 4.18Å; I1288-I1347 HydrophobicContact CG2-CD1 4.13Å; I1288-I1347 HydrophobicContact CG2-CG2 4.27Å; Q1289-I1347 HydrophobicContact CB-CB 4.1Å; Q1289-I1347 HydrophobicContact CG-CB 4.31Å; Q1289-I1347 VanDerWaalsContact OE1-N 3.14Å; L1292-I1347 HydrophobicContact CB-CD1 4.09Å; L1292-I1347 HydrophobicContact CD1-CD1 3.39Å; L1292-I1347 HydrophobicContact CG-CD1 4.37Å; F1295-I1347 HydrophobicContact CD2-CD1 3.73Å; F1295-I1347 HydrophobicContact CD2-CG1 3.67Å; F1295-I1347 HydrophobicContact CE2-CD1 3.66Å; F1295-I1347 HydrophobicContact CE2-CG1 3.39Å; F1295-I1347 HydrophobicContact CZ-CG1 4.09Å; G1345-I1347 VanDerWaalsContact C-N 3.29Å; I1347-H1349 PolarHBondContact O-N 3.37Å; I1347-R1352 WeakPolarHBondContact O-CD 3.03Å; I1347-R1352 PolarHBondContact O-NH1 2.7Å |
| 1348 | Y | 90.7 | Very high | 74.9 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 9% | 0.09 | 31% | 0.308 | C | S | . | . | trans | -69.9 | 125.4 | 174.9 | 177.8 | -90.3 | 0 | 0 | 0 | 111.7 | L1194 T1282 L1285 L1286 Q1289 L1344 P1350 | L1194-Y1348 WeakPolarHBondContact CD1-OH 3.49Å; L1194-Y1348 HydrophobicContact CD2-CD2 4.31Å; L1194-Y1348 HydrophobicContact CD2-CE1 4.12Å; L1194-Y1348 HydrophobicContact CD2-CE2 3.71Å; T1282-Y1348 HydrophobicContact CG2-CD2 4.43Å; T1282-Y1348 HydrophobicContact CG2-CE2 3.91Å; L1285-Y1348 HydrophobicContact CB-CD2 4.47Å; L1285-Y1348 HydrophobicContact CD1-CD2 4.42Å; L1286-Y1348 HydrophobicContact CD2-CD2 4.38Å; L1286-Y1348 HydrophobicContact CD2-CG 4.41Å; Q1289-Y1348 VanDerWaalsContact OE1-N 3.09Å; L1344-Y1348 HydrophobicContact CB-CD1 3.46Å; L1344-Y1348 VanDerWaalsContact CB-CD1 3.46Å; L1344-Y1348 HydrophobicContact CB-CE1 4.08Å; L1344-Y1348 HydrophobicContact CB-CG 4.23Å; L1344-Y1348 HydrophobicContact CD1-CD1 4.05Å; L1344-Y1348 HydrophobicContact CD1-CE1 3.78Å; L1344-Y1348 HydrophobicContact CG-CD1 4.33Å; Y1348-P1350 HydrophobicContact CE1-CG 4.28Å | ||
| 1349 | H | 88.9 | Confident | 78 | Confident | 89 Ų | 89 | 48.8 Ų | 48.8 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | trans | -147.4 | 137.6 | 169.7 | -178.9 | -106.1 | 0 | 0 | 0 | 109.6 | I1347 N1351 R1352 | I1347-H1349 PolarHBondContact O-N 3.37Å; H1349-N1351 VanDerWaalsContact C-N 3.27Å; H1349-N1351 PolarHBondContact O-N 3.49Å; H1349-N1351 VanDerWaalsContact O-N 3.15Å; H1349-R1352 HydrophobicContact CB-CB 3.95Å; H1349-R1352 WeakPolarHBondContact O-CB 3.47Å; H1349-R1352 PolarHBondContact O-N 3.25Å | ||
| 1350 | P | 85.7 | Confident | 81.5 | Confident | 76 Ų | 76 | 43.4 Ų | 43.4 | 49% | 0.494 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32.4 | -171.2 | -27.9 | 36.3 | 0 | 0 | 0 | 115.5 | Y1348 | Y1348-P1350 HydrophobicContact CE1-CG 4.28Š|
| 1351 | N | 89 | Confident | 84.7 | Confident | 83 Ų | 83 | 44 Ų | 44 | 44% | 0.444 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 5.8 | -177.7 | -61.3 | -15.9 | 0 | 0 | 0 | 113.5 | H1349 R1451 | H1349-N1351 VanDerWaalsContact C-N 3.27Å; H1349-N1351 PolarHBondContact O-N 3.49Å; H1349-N1351 VanDerWaalsContact O-N 3.15Å; N1351-R1451 PolarHBondContact O-NH1 3.14Å |
| 1352 | R | 94.6 | Very high | 87.6 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 2% | 0.023 | 21% | 0.213 | C | C | . | . | trans | -96.7 | 133.8 | -179.4 | 173.9 | 175.9 | -75.3 | 159.7 | 2.9 | 110.5 | N1281 L1285 P1346 I1347 H1349 L1376 S1377 D1378 | N1281-R1352 PolarHBondContact ND2-O 3.17Å; L1285-R1352 HydrophobicContact CD1-CB 4.44Å; L1285-R1352 HydrophobicContact CD1-CG 4.23Å; L1285-R1352 HydrophobicContact CD2-CG 4.26Å; P1346-R1352 PolarHBondContact O-NH1 3.4Å; P1346-R1352 VanDerWaalsContact O-NH1 3.16Å; I1347-R1352 WeakPolarHBondContact O-CD 3.03Å; I1347-R1352 PolarHBondContact O-NH1 2.7Å; H1349-R1352 HydrophobicContact CB-CB 3.95Å; H1349-R1352 WeakPolarHBondContact O-CB 3.47Å; H1349-R1352 PolarHBondContact O-N 3.25Å; R1352-L1376 HydrophobicContact CG-CB 4.26Å; R1352-S1377 WeakPolarHBondContact CA-OG 3.36Å; R1352-D1378 WeakPolarHBondContact CG-OD1 3.47Å; R1352-D1378 IonicContact CZ-OD2 1.96Å; R1352-D1378 VanDerWaalsContact CZ-OD2 3.27Å; R1352-D1378 IonicContact NE-OD1 3.95Å; R1352-D1378 PolarHBondContact NE-OD1 2.93Å; R1352-D1378 VanDerWaalsContact NE-OD1 3.08Å; R1352-D1378 IonicContact NE-OD2 3.13Å; R1352-D1378 PolarHBondContact NE-OD2 2.97Å; R1352-D1378 IonicContact NH2-OD2 3.94Å; R1352-D1378 PolarHBondContact NH2-OD2 3.23Å | ||
| 1353 | Q | 95.5 | Very high | 89.9 | Confident | 99 Ų | 99 | 37.4 Ų | 37.4 | 46% | 0.463 | 20% | 0.201 | S | C | . | . | trans | -118.9 | 138.5 | 176.3 | -64.7 | 176 | -27.3 | 0 | 0 | 110.8 | N1281 L1376 S1377 | N1281-Q1353 VanDerWaalsContact OD1-CA 3.28Å; N1281-Q1353 WeakPolarHBondContact OD1-CA 3.21Å; Q1353-L1376 CarbonylContact O-C 3.55Å; Q1353-L1376 VanDerWaalsContact O-CA 3.25Å; Q1353-L1376 WeakPolarHBondContact O-CA 3.37Å; Q1353-S1377 PolarHBondContact N-OG 2.98Å; Q1353-S1377 PolarHBondContact O-N 3.39Å | ||
| 1354 | F | 97.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.022 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 132.1 | 167.6 | 170.2 | -104.5 | 0 | 0 | 0 | 110.2 | N1281 K1284 L1285 I1288 R1356 E1357 L1376 M1510 I1513 | N1281-F1354 PolarHBondContact OD1-N 3.1Å; K1284-F1354 HydrophobicContact CB-CD1 4.47Å; K1284-F1354 HydrophobicContact CD-CD1 4.37Å; K1284-F1354 HydrophobicContact CD-CE1 4.34Å; K1284-F1354 HydrophobicContact CG-CB 4.06Å; K1284-F1354 HydrophobicContact CG-CD1 3.4Å; K1284-F1354 HydrophobicContact CG-CD2 4.25Å; K1284-F1354 HydrophobicContact CG-CE1 3.83Å; K1284-F1354 HydrophobicContact CG-CG 3.62Å; K1284-F1354 HydrophobicContact CG-CZ 4.41Å; L1285-F1354 HydrophobicContact CD2-CB 4.34Å; I1288-F1354 HydrophobicContact CD1-CD2 3.46Å; I1288-F1354 VanDerWaalsContact CD1-CD2 3.46Å; I1288-F1354 HydrophobicContact CD1-CE2 3.62Å; I1288-F1354 HydrophobicContact CD1-CG 4.24Å; I1288-F1354 HydrophobicContact CD1-CZ 4.49Å; F1354-R1356 VanDerWaalsContact CZ-C 3.48Å; F1354-E1357 HydrophobicContact CE2-CB 3.8Å; F1354-E1357 HydrophobicContact CE2-CG 4.35Å; F1354-E1357 HydrophobicContact CZ-CB 3.84Å; F1354-E1357 HydrophobicContact CZ-CG 3.9Å; F1354-E1357 VanDerWaalsContact CZ-N 3.29Å; F1354-L1376 HydrophobicContact CB-CD2 4.48Å; F1354-L1376 HydrophobicContact CD2-CD2 4.12Å; F1354-M1510 HydrophobicContact CB-CE 4.26Å; F1354-M1510 HydrophobicContact CD1-CB 3.97Å; F1354-M1510 HydrophobicContact CD1-CE 4Å; F1354-M1510 HydrophobicContact CE1-CB 4.39Å; F1354-M1510 WeakPolarHBondContact O-CB 3.36Å; F1354-I1513 HydrophobicContact CE1-CD1 4.06Å |
| 1355 | I | 97 | Very high | 91.8 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -59.7 | 179.1 | -57.1 | 179.8 | 0 | 0 | 0 | 110.4 | L1375 D1440 A1444 S1509 M1510 | I1355-L1375 HydrophobicContact CB-CB 4.48Å; I1355-L1375 HydrophobicContact CB-CD2 4.04Å; I1355-L1375 HydrophobicContact CB-CG 4.02Å; I1355-L1375 WeakPolarHBondContact CB-O 3.17Å; I1355-L1375 HydrophobicContact CD1-CD2 4.4Å; I1355-L1375 HydrophobicContact CD1-CG 4.26Å; I1355-L1375 HydrophobicContact CG2-CD2 3.8Å; I1355-L1375 HydrophobicContact CG2-CG 4.36Å; I1355-L1375 PolarHBondContact N-O 2.63Å; I1355-D1440 HydrophobicContact CG2-CB 4.04Å; I1355-A1444 HydrophobicContact CD1-CB 3.58Å; I1355-S1509 CarbonylContact O-C 3.6Å; I1355-S1509 WeakPolarHBondContact O-CA 3.47Å; I1355-S1509 VanDerWaalsContact O-CB 3.26Å; I1355-S1509 WeakPolarHBondContact O-CB 3.47Å; I1355-M1510 PolarHBondContact O-N 3.33Å |
| 1356 | R | 97 | Very high | 92.4 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.019 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 141.7 | -177.3 | -178.5 | 174.7 | -65.9 | -75.9 | -8.7 | 112.1 | F1354 L1375 W1437 D1440 T1507 L1508 | F1354-R1356 VanDerWaalsContact CZ-C 3.48Å; R1356-L1375 PolarHBondContact N-O 3.46Å; R1356-L1375 PolarHBondContact O-N 2.72Å; R1356-W1437 HydrophobicContact CB-CH2 4.37Å; R1356-W1437 HydrophobicContact CB-CZ3 4.28Å; R1356-W1437 HydrophobicContact CG-CD2 4.39Å; R1356-W1437 HydrophobicContact CG-CE3 4.35Å; R1356-W1437 HydrophobicContact CG-CH2 3.91Å; R1356-W1437 HydrophobicContact CG-CZ2 3.95Å; R1356-W1437 HydrophobicContact CG-CZ3 4.12Å; R1356-D1440 IonicContact CZ-OD2 3.84Å; R1356-D1440 IonicContact NE-OD2 3.18Å; R1356-D1440 PolarHBondContact NE-OD2 2.94Å; R1356-D1440 IonicContact NH2-OD2 2.86Å; R1356-D1440 PolarHBondContact NH2-OD2 2.97Å; R1356-T1507 PolarHBondContact NH1-OG1 3.12Å; R1356-L1508 WeakPolarHBondContact CA-O 3.34Å |
| 1357 | E | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 159.5 | 162.5 | 69.7 | -165.1 | 179.1 | 0 | 0 | 110.4 | K1284 F1354 M1372 F1373 F1374 S1497 T1507 L1508 | K1284-E1357 WeakPolarHBondContact CE-OE2 3.16Å; K1284-E1357 IonicContact NZ-OE1 3.87Å; K1284-E1357 PolarHBondContact NZ-OE1 2.99Å; K1284-E1357 IonicContact NZ-OE2 3.59Å; K1284-E1357 PolarHBondContact NZ-OE2 2.88Å; F1354-E1357 HydrophobicContact CE2-CB 3.8Å; F1354-E1357 HydrophobicContact CE2-CG 4.35Å; F1354-E1357 HydrophobicContact CZ-CB 3.84Å; F1354-E1357 HydrophobicContact CZ-CG 3.9Å; F1354-E1357 VanDerWaalsContact CZ-N 3.29Å; E1357-M1372 HydrophobicContact CB-CE 4.45Å; E1357-F1373 CarbonylContact C-O 3.57Å; E1357-F1373 VanDerWaalsContact CA-O 3.3Å; E1357-F1373 WeakPolarHBondContact CA-O 3.43Å; E1357-F1374 HydrophobicContact CB-CD1 3.77Å; E1357-F1374 HydrophobicContact CB-CE1 4.06Å; E1357-S1497 WeakPolarHBondContact OE1-CB 3.41Å; E1357-S1497 PolarHBondContact OE1-OG 2.68Å; E1357-T1507 CarbonylContact O-C 3.56Å; E1357-T1507 VanDerWaalsContact O-CA 3.25Å; E1357-T1507 WeakPolarHBondContact O-CA 3.3Å; E1357-T1507 WeakPolarHBondContact O-CB 3.42Å; E1357-L1508 HydrophobicContact CG-CB 4.3Å; E1357-L1508 PolarHBondContact N-O 3.5Å; E1357-L1508 PolarHBondContact O-N 3.1Å |
| 1358 | G | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.3 | 169.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1372 F1373 F1506 | G1358-M1372 CarbonylContact O-C 3.48Å; G1358-M1372 WeakPolarHBondContact O-CA 3.4Å; G1358-F1373 PolarHBondContact N-O 3.38Å; G1358-F1373 PolarHBondContact O-N 2.97Å; G1358-F1506 CarbonylContact C-O 3.57Å; G1358-F1506 WeakPolarHBondContact CA-O 3.28Å |
| 1359 | W | 96.3 | Very high | 93.3 | Very high | 25 Ų | 25 | 57.9 Ų | 57.9 | 10% | 0.095 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 135.4 | 172.3 | 179.4 | 102.3 | 0 | 0 | 0 | 110.4 | Q1361 P1370 M1372 W1502 C1505 F1506 | W1359-Q1361 VanDerWaalsContact CH2-CD 3.5Å; W1359-Q1361 HydrophobicContact CH2-CG 3.3Å; W1359-Q1361 HydrophobicContact CZ2-CG 3.61Å; W1359-Q1361 HydrophobicContact CZ3-CG 3.86Å; W1359-P1370 HydrophobicContact CZ2-CB 4.12Å; W1359-P1370 VanDerWaalsContact NE1-CB 3.29Å; W1359-M1372 HydrophobicContact CB-SD 4.26Å; W1359-W1502 AromaticContact CD1-CE3 3.67Å; W1359-C1505 HydrophobicContact CD2-CB 3.77Å; W1359-C1505 HydrophobicContact CE3-CB 3.55Å; W1359-C1505 HydrophobicContact CG-CB 4.38Å; W1359-C1505 HydrophobicContact CH2-CB 4.04Å; W1359-C1505 HydrophobicContact CZ2-CB 4.26Å; W1359-C1505 HydrophobicContact CZ3-CB 3.71Å; W1359-F1506 PolarHBondContact N-O 3.35Å |
| 1360 | L | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 161.9 | 168.4 | -66.7 | 174.5 | 0 | 0 | 0 | 109.7 | R1371 F1373 F1415 V1426 A1428 W1437 | L1360-R1371 PolarHBondContact N-O 2.99Å; L1360-R1371 PolarHBondContact O-N 3.26Å; L1360-R1371 VanDerWaalsContact O-O 3.08Å; L1360-F1373 HydrophobicContact CB-CD2 3.7Å; L1360-F1373 HydrophobicContact CB-CE2 3.74Å; L1360-F1373 HydrophobicContact CD1-CB 4.42Å; L1360-F1373 HydrophobicContact CD1-CD2 3.93Å; L1360-F1373 HydrophobicContact CD1-CE2 4.28Å; L1360-F1373 HydrophobicContact CD1-CG 4.1Å; L1360-F1373 HydrophobicContact CG-CD2 4.17Å; L1360-F1415 HydrophobicContact CD1-CE1 4.23Å; L1360-F1415 HydrophobicContact CD1-CZ 3.94Å; L1360-V1426 HydrophobicContact CB-CG1 3.56Å; L1360-V1426 HydrophobicContact CD1-CG1 3.66Å; L1360-V1426 HydrophobicContact CG-CG1 4.12Å; L1360-A1428 HydrophobicContact CD2-CB 3.61Å; L1360-W1437 HydrophobicContact CD1-CD2 3.94Å; L1360-W1437 HydrophobicContact CD1-CG 4.08Å; L1360-W1437 HydrophobicContact CD1-CZ2 4.21Å; L1360-W1437 HydrophobicContact CG-CZ2 4.48Å |
| 1361 | Q | 95.7 | Very high | 94.1 | Very high | 59 Ų | 59 | 54 Ų | 54 | 28% | 0.276 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 110.5 | 173.6 | -62 | -175.1 | -96.2 | 0 | 0 | 111 | W1359 Y1368 Q1369 V1426 A1427 | W1359-Q1361 VanDerWaalsContact CH2-CD 3.5Å; W1359-Q1361 HydrophobicContact CH2-CG 3.3Å; W1359-Q1361 HydrophobicContact CZ2-CG 3.61Å; W1359-Q1361 HydrophobicContact CZ3-CG 3.86Å; Q1361-Y1368 HydrophobicContact CB-CD1 4Å; Q1361-Y1368 HydrophobicContact CB-CG 4.46Å; Q1361-Q1369 CarbonylContact C-O 3.56Å; Q1361-Q1369 WeakPolarHBondContact CA-O 3.49Å; Q1361-V1426 CarbonylContact O-C 3.57Å; Q1361-V1426 WeakPolarHBondContact O-CA 3.34Å; Q1361-A1427 HydrophobicContact CB-CB 4.47Å; Q1361-A1427 PolarHBondContact N-O 2.98Å; Q1361-A1427 PolarHBondContact O-N 3.11Å |
| 1362 | K | 95.3 | Very high | 94.5 | Very high | 39 Ų | 39 | 50 Ų | 50 | 17% | 0.17 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 129.1 | 172.7 | -173.4 | -176.1 | -177.8 | -57 | 0 | 109.5 | Q1369 R1371 F1373 Y1382 F1424 | K1362-Q1369 PolarHBondContact N-O 3.2Å; K1362-Q1369 PolarHBondContact O-N 3.18Å; K1362-R1371 HydrophobicContact CB-CG 4.27Å; K1362-F1373 HydrophobicContact CB-CZ 4.47Å; K1362-Y1382 HydrophobicContact CD-CD2 4.23Å; K1362-Y1382 HydrophobicContact CD-CE2 3.66Å; K1362-F1424 HydrophobicContact CD-CD2 4.06Å; K1362-F1424 HydrophobicContact CD-CG 4.49Å; K1362-F1424 HydrophobicContact CG-CD2 3.9Å |
| 1363 | L | 93.1 | Very high | 94.6 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 35% | 0.346 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 140.4 | 171.2 | -172.2 | 61.1 | 0 | 0 | 0 | 110.5 | Y1368 L1425 | L1363-Y1368 HydrophobicContact CB-CD1 4.26Å; L1363-Y1368 HydrophobicContact CB-CE1 4.11Å; L1363-Y1368 HydrophobicContact CD1-CD1 4.23Å; L1363-Y1368 HydrophobicContact CD1-CD2 4.16Å; L1363-Y1368 HydrophobicContact CD1-CE1 4.25Å; L1363-Y1368 HydrophobicContact CD1-CE2 4.18Å; L1363-Y1368 HydrophobicContact CD1-CG 4.19Å; L1363-L1425 HydrophobicContact CB-CB 4.01Å; L1363-L1425 HydrophobicContact CD2-CB 4.1Å; L1363-L1425 HydrophobicContact CD2-CD2 3.94Å; L1363-L1425 PolarHBondContact N-O 3.39Å |
| 1364 | S | 90.7 | Very high | 94.7 | Very high | 42 Ų | 42 | 45.1 Ų | 45.1 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 171.7 | -179.2 | 79.8 | 0 | 0 | 0 | 0 | 110.9 | K1366 G1367 | S1364-K1366 PolarHBondContact O-N 3.45Å; S1364-K1366 VanDerWaalsContact O-N 3.14Å; S1364-K1366 PolarHBondContact OG-N 3.28Å; S1364-K1366 VanDerWaalsContact OG-N 3.1Å; S1364-G1367 WeakPolarHBondContact CB-O 3.26Å; S1364-G1367 PolarHBondContact N-O 2.67Å; S1364-G1367 PolarHBondContact O-N 3.11Å; S1364-G1367 PolarHBondContact OG-O 3Å |
| 1365 | K | 87.1 | Confident | 94.7 | Very high | 224 Ų | 224 | 44.9 Ų | 44.9 | 97% | 0.974 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.5 | 171.2 | -64.5 | -172.8 | 177.6 | -174.6 | 0 | 113.5 | ||
| 1366 | K | 89.4 | Confident | 94.7 | Very high | 185 Ų | 185 | 43.2 Ų | 43.2 | 80% | 0.804 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 24.7 | 173.4 | -60.7 | -168 | 178.2 | -169.8 | 0 | 112.4 | S1364 | S1364-K1366 PolarHBondContact O-N 3.45Å; S1364-K1366 VanDerWaalsContact O-N 3.14Å; S1364-K1366 PolarHBondContact OG-N 3.28Å; S1364-K1366 VanDerWaalsContact OG-N 3.1Å |
| 1367 | G | 90.5 | Very high | 94.6 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 33% | 0.33 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.4 | -162.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | S1364 Q1369 | S1364-G1367 WeakPolarHBondContact CB-O 3.26Å; S1364-G1367 PolarHBondContact N-O 2.67Å; S1364-G1367 PolarHBondContact O-N 3.11Å; S1364-G1367 PolarHBondContact OG-O 3Å; G1367-Q1369 PolarHBondContact O-N 3.4Å |
| 1368 | Y | 92.6 | Very high | 94.5 | Very high | 88 Ų | 88 | 45.2 Ų | 45.2 | 35% | 0.345 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 111.4 | -178.1 | -78.8 | -74.6 | 0 | 0 | 0 | 112.4 | Q1361 L1363 L1425 A1427 | Q1361-Y1368 HydrophobicContact CB-CD1 4Å; Q1361-Y1368 HydrophobicContact CB-CG 4.46Å; L1363-Y1368 HydrophobicContact CB-CD1 4.26Å; L1363-Y1368 HydrophobicContact CB-CE1 4.11Å; L1363-Y1368 HydrophobicContact CD1-CD1 4.23Å; L1363-Y1368 HydrophobicContact CD1-CD2 4.16Å; L1363-Y1368 HydrophobicContact CD1-CE1 4.25Å; L1363-Y1368 HydrophobicContact CD1-CE2 4.18Å; L1363-Y1368 HydrophobicContact CD1-CG 4.19Å; Y1368-L1425 HydrophobicContact CE1-CD2 4.49Å; Y1368-L1425 WeakPolarHBondContact OH-CD2 3.44Å; Y1368-A1427 HydrophobicContact CD1-CB 4.12Å; Y1368-A1427 HydrophobicContact CE1-CB 3.69Å |
| 1369 | Q | 94.3 | Very high | 94.4 | Very high | 56 Ų | 56 | 46 Ų | 46 | 26% | 0.262 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 135.3 | 179.3 | -63.2 | -167.6 | -11.1 | 0 | 0 | 112.6 | Q1361 K1362 G1367 | Q1361-Q1369 CarbonylContact C-O 3.56Å; Q1361-Q1369 WeakPolarHBondContact CA-O 3.49Å; K1362-Q1369 PolarHBondContact N-O 3.2Å; K1362-Q1369 PolarHBondContact O-N 3.18Å; G1367-Q1369 PolarHBondContact O-N 3.4Å |
| 1370 | P | 95.6 | Very high | 94.4 | Very high | 50 Ų | 50 | 44.9 Ų | 44.9 | 33% | 0.325 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 139.1 | 177.4 | 29.7 | -35.6 | 0 | 0 | 0 | 111.6 | W1359 W1502 | W1359-P1370 HydrophobicContact CZ2-CB 4.12Å; W1359-P1370 VanDerWaalsContact NE1-CB 3.29Å; P1370-W1502 HydrophobicContact CB-CH2 3.76Å; P1370-W1502 HydrophobicContact CB-CZ3 3.98Å; P1370-W1502 HydrophobicContact CG-CH2 3.92Å; P1370-W1502 HydrophobicContact CG-CZ2 4.46Å |
| 1371 | R | 96 | Very high | 94.3 | Very high | 33 Ų | 33 | 45 Ų | 45 | 13% | 0.125 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 146.5 | 173.8 | -67.8 | -65.3 | -176.6 | -76.1 | -1 | 109.3 | L1360 K1362 F1373 Y1382 A1383 | L1360-R1371 PolarHBondContact N-O 2.99Å; L1360-R1371 PolarHBondContact O-N 3.26Å; L1360-R1371 VanDerWaalsContact O-O 3.08Å; K1362-R1371 HydrophobicContact CB-CG 4.27Å; R1371-F1373 HydrophobicContact CB-CD2 4.16Å; R1371-F1373 HydrophobicContact CB-CE2 3.78Å; R1371-Y1382 HydrophobicContact CB-CD2 4.25Å; R1371-Y1382 HydrophobicContact CG-CD2 3.89Å; R1371-Y1382 HydrophobicContact CG-CE2 4.42Å; R1371-A1383 CarbonylContact C-O 3.49Å; R1371-A1383 VanDerWaalsContact CA-O 3.29Å; R1371-A1383 WeakPolarHBondContact CA-O 3.34Å; R1371-A1383 WeakPolarHBondContact CB-O 3.46Å; R1371-A1383 WeakPolarHBondContact CD-O 3.39Å |
| 1372 | M | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 139.2 | 159.2 | -76.2 | -55.1 | -68.6 | 0 | 0 | 108.3 | E1357 G1358 W1359 F1374 Y1382 A1383 F1393 V1498 C1501 W1502 | E1357-M1372 HydrophobicContact CB-CE 4.45Å; G1358-M1372 CarbonylContact O-C 3.48Å; G1358-M1372 WeakPolarHBondContact O-CA 3.4Å; W1359-M1372 HydrophobicContact CB-SD 4.26Å; M1372-F1374 HydrophobicContact CB-CE2 3.71Å; M1372-F1374 HydrophobicContact CB-CZ 3.97Å; M1372-F1374 HydrophobicContact CE-CZ 4.39Å; M1372-Y1382 CarbonylContact O-C 3.52Å; M1372-Y1382 VanDerWaalsContact O-CA 3.24Å; M1372-Y1382 WeakPolarHBondContact O-CA 3.27Å; M1372-A1383 PolarHBondContact N-O 3.32Å; M1372-A1383 PolarHBondContact O-N 2.86Å; M1372-F1393 HydrophobicContact CB-CD1 4.22Å; M1372-F1393 HydrophobicContact CB-CE1 4.36Å; M1372-F1393 HydrophobicContact CG-CD1 3.72Å; M1372-F1393 HydrophobicContact CG-CE1 3.39Å; M1372-F1393 HydrophobicContact CG-CG 4.47Å; M1372-F1393 HydrophobicContact CG-CZ 3.9Å; M1372-V1498 HydrophobicContact CE-CG1 3.92Å; M1372-V1498 HydrophobicContact CG-CG1 4.44Å; M1372-C1501 HydrophobicContact CE-CB 3.89Å; M1372-C1501 HydrophobicContact SD-CB 4.46Å; M1372-W1502 HydrophobicContact CG-CB 4.33Å; M1372-W1502 HydrophobicContact CG-CE3 3.8Å; M1372-W1502 HydrophobicContact SD-CB 3.82Å; M1372-W1502 HydrophobicContact SD-CE3 4.09Å |
| 1373 | F | 97.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 144.8 | 169.4 | -76.9 | -104.6 | 0 | 0 | 0 | 109.3 | E1357 G1358 L1360 K1362 R1371 L1380 I1381 Y1382 I1417 F1424 V1426 W1437 | E1357-F1373 CarbonylContact C-O 3.57Å; E1357-F1373 VanDerWaalsContact CA-O 3.3Å; E1357-F1373 WeakPolarHBondContact CA-O 3.43Å; G1358-F1373 PolarHBondContact N-O 3.38Å; G1358-F1373 PolarHBondContact O-N 2.97Å; L1360-F1373 HydrophobicContact CB-CD2 3.7Å; L1360-F1373 HydrophobicContact CB-CE2 3.74Å; L1360-F1373 HydrophobicContact CD1-CB 4.42Å; L1360-F1373 HydrophobicContact CD1-CD2 3.93Å; L1360-F1373 HydrophobicContact CD1-CE2 4.28Å; L1360-F1373 HydrophobicContact CD1-CG 4.1Å; L1360-F1373 HydrophobicContact CG-CD2 4.17Å; K1362-F1373 HydrophobicContact CB-CZ 4.47Å; R1371-F1373 HydrophobicContact CB-CD2 4.16Å; R1371-F1373 HydrophobicContact CB-CE2 3.78Å; F1373-L1380 HydrophobicContact CD1-CD1 4.23Å; F1373-L1380 HydrophobicContact CD1-CG 4.47Å; F1373-I1381 CarbonylContact C-O 3.55Å; F1373-I1381 WeakPolarHBondContact CA-O 3.1Å; F1373-Y1382 HydrophobicContact CE1-CG 4.2Å; F1373-Y1382 HydrophobicContact CZ-CG 4.31Å; F1373-I1417 HydrophobicContact CE1-CD1 4.42Å; F1373-F1424 HydrophobicContact CE1-CE2 4.02Å; F1373-F1424 HydrophobicContact CZ-CE2 4.17Å; F1373-V1426 HydrophobicContact CE2-CG1 4.22Å; F1373-V1426 HydrophobicContact CZ-CG1 4.14Å; F1373-V1426 HydrophobicContact CZ-CG2 4.1Å; F1373-W1437 HydrophobicContact CB-CH2 3.58Å; F1373-W1437 HydrophobicContact CB-CZ2 3.99Å; F1373-W1437 HydrophobicContact CB-CZ3 4.21Å |
| 1374 | F | 97.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 114.7 | 176 | -54.2 | -92.5 | 0 | 0 | 0 | 107.9 | I1288 L1292 E1357 M1372 I1381 A1383 V1498 | I1288-F1374 HydrophobicContact CD1-CD1 4.01Å; I1288-F1374 HydrophobicContact CD1-CE1 4.45Å; I1288-F1374 HydrophobicContact CG1-CD1 4.13Å; I1288-F1374 HydrophobicContact CG1-CE1 4.11Å; I1288-F1374 HydrophobicContact CG2-CD1 3.98Å; I1288-F1374 HydrophobicContact CG2-CE1 4.14Å; I1288-F1374 HydrophobicContact CG2-CG 4.48Å; L1292-F1374 HydrophobicContact CD1-CD2 4.19Å; L1292-F1374 HydrophobicContact CD1-CE2 4.04Å; L1292-F1374 HydrophobicContact CD1-CZ 4.36Å; L1292-F1374 HydrophobicContact CD2-CE2 3.88Å; L1292-F1374 HydrophobicContact CD2-CZ 4.38Å; L1292-F1374 HydrophobicContact CG-CE2 4.29Å; L1292-F1374 HydrophobicContact CG-CZ 4.45Å; E1357-F1374 HydrophobicContact CB-CD1 3.77Å; E1357-F1374 HydrophobicContact CB-CE1 4.06Å; M1372-F1374 HydrophobicContact CB-CE2 3.71Å; M1372-F1374 HydrophobicContact CB-CZ 3.97Å; M1372-F1374 HydrophobicContact CE-CZ 4.39Å; F1374-I1381 PolarHBondContact N-O 2.95Å; F1374-I1381 PolarHBondContact O-N 3.1Å; F1374-A1383 HydrophobicContact CE2-CB 4.46Å; F1374-V1498 HydrophobicContact CE1-CG1 3.9Å; F1374-V1498 HydrophobicContact CE1-CG2 4.3Å; F1374-V1498 HydrophobicContact CZ-CG1 3.69Å |
| 1375 | L | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121 | 173.1 | 176.7 | 68.2 | 0 | 0 | 0 | 109.1 | I1355 R1356 L1380 L1401 W1437 D1440 I1441 A1444 | I1355-L1375 HydrophobicContact CB-CB 4.48Å; I1355-L1375 HydrophobicContact CB-CD2 4.04Å; I1355-L1375 HydrophobicContact CB-CG 4.02Å; I1355-L1375 WeakPolarHBondContact CB-O 3.17Å; I1355-L1375 HydrophobicContact CD1-CD2 4.4Å; I1355-L1375 HydrophobicContact CD1-CG 4.26Å; I1355-L1375 HydrophobicContact CG2-CD2 3.8Å; I1355-L1375 HydrophobicContact CG2-CG 4.36Å; I1355-L1375 PolarHBondContact N-O 2.63Å; R1356-L1375 PolarHBondContact N-O 3.46Å; R1356-L1375 PolarHBondContact O-N 2.72Å; L1375-L1380 HydrophobicContact CB-CD1 4.12Å; L1375-L1380 HydrophobicContact CD1-CD1 4.2Å; L1375-L1401 HydrophobicContact CD1-CD1 4Å; L1375-L1401 HydrophobicContact CD1-CD2 3.93Å; L1375-W1437 HydrophobicContact CB-CZ3 3.93Å; L1375-D1440 HydrophobicContact CD2-CB 3.89Å; L1375-I1441 HydrophobicContact CD1-CG1 4.25Å; L1375-I1441 HydrophobicContact CD2-CB 4.49Å; L1375-I1441 HydrophobicContact CD2-CG1 3.88Å; L1375-A1444 HydrophobicContact CD1-CB 4.1Å; L1375-A1444 HydrophobicContact CD2-CB 4.16Å; L1375-A1444 HydrophobicContact CG-CB 4.39Å |
| 1376 | L | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 163 | 177.9 | -47.8 | 174.5 | 0 | 0 | 0 | 107.9 | L1285 R1352 Q1353 F1354 D1378 Q1379 I1381 L1401 | L1285-L1376 HydrophobicContact CD2-CD2 4.04Å; R1352-L1376 HydrophobicContact CG-CB 4.26Å; Q1353-L1376 CarbonylContact O-C 3.55Å; Q1353-L1376 VanDerWaalsContact O-CA 3.25Å; Q1353-L1376 WeakPolarHBondContact O-CA 3.37Å; F1354-L1376 HydrophobicContact CB-CD2 4.48Å; F1354-L1376 HydrophobicContact CD2-CD2 4.12Å; L1376-D1378 PolarHBondContact O-N 3.11Å; L1376-Q1379 WeakPolarHBondContact CA-O 3.47Å; L1376-Q1379 WeakPolarHBondContact CB-O 3.41Å; L1376-Q1379 PolarHBondContact N-O 2.97Å; L1376-Q1379 PolarHBondContact O-N 3Å; L1376-I1381 HydrophobicContact CD1-CD1 3.73Å; L1376-I1381 HydrophobicContact CD1-CG1 4.28Å; L1376-L1401 VanDerWaalsContact O-CD1 3.27Å; L1376-L1401 WeakPolarHBondContact O-CD1 3.41Å |
| 1377 | S | 95.6 | Very high | 93.3 | Very high | 8 Ų | 8 | 29 Ų | 29 | 6% | 0.056 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -60.4 | -17.4 | -175.6 | 54.4 | 0 | 0 | 0 | 0 | 116.1 | R1352 Q1353 | R1352-S1377 WeakPolarHBondContact CA-OG 3.36Å; Q1353-S1377 PolarHBondContact N-OG 2.98Å; Q1353-S1377 PolarHBondContact O-N 3.39Å |
| 1378 | D | 93 | Very high | 92.1 | Very high | 39 Ų | 39 | 30.4 Ų | 30.4 | 21% | 0.209 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -123.9 | -22.9 | -174.4 | 55.4 | -49.8 | 0 | 0 | 0 | 112.4 | R1352 L1376 L1401 | R1352-D1378 WeakPolarHBondContact CG-OD1 3.47Å; R1352-D1378 IonicContact CZ-OD2 1.96Å; R1352-D1378 VanDerWaalsContact CZ-OD2 3.27Å; R1352-D1378 IonicContact NE-OD1 3.95Å; R1352-D1378 PolarHBondContact NE-OD1 2.93Å; R1352-D1378 VanDerWaalsContact NE-OD1 3.08Å; R1352-D1378 IonicContact NE-OD2 3.13Å; R1352-D1378 PolarHBondContact NE-OD2 2.97Å; R1352-D1378 IonicContact NH2-OD2 3.94Å; R1352-D1378 PolarHBondContact NH2-OD2 3.23Å; L1376-D1378 PolarHBondContact O-N 3.11Å; D1378-L1401 PolarHBondContact O-N 3.28Å |
| 1379 | Q | 93.6 | Very high | 90.3 | Very high | 18 Ų | 18 | 28.8 Ų | 28.8 | 8% | 0.084 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 144.8 | -168.1 | -65.1 | 178.7 | 5.4 | 0 | 0 | 113.4 | L1376 I1381 F1399 | L1376-Q1379 WeakPolarHBondContact CA-O 3.47Å; L1376-Q1379 WeakPolarHBondContact CB-O 3.41Å; L1376-Q1379 PolarHBondContact N-O 2.97Å; L1376-Q1379 PolarHBondContact O-N 3Å; Q1379-I1381 HydrophobicContact CB-CG1 4.35Å; Q1379-F1399 CarbonylContact C-O 3.59Å; Q1379-F1399 VanDerWaalsContact CA-O 3.25Å; Q1379-F1399 WeakPolarHBondContact CA-O 3.49Å |
| 1380 | L | 95.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.9 | 165 | -179.6 | 67.1 | 0 | 0 | 0 | 109.7 | F1373 L1375 Q1398 F1399 L1401 L1404 I1417 W1437 | F1373-L1380 HydrophobicContact CD1-CD1 4.23Å; F1373-L1380 HydrophobicContact CD1-CG 4.47Å; L1375-L1380 HydrophobicContact CB-CD1 4.12Å; L1375-L1380 HydrophobicContact CD1-CD1 4.2Å; L1380-Q1398 CarbonylContact O-C 3.53Å; L1380-Q1398 WeakPolarHBondContact O-CA 3.24Å; L1380-F1399 PolarHBondContact N-O 3.36Å; L1380-F1399 PolarHBondContact O-N 3.35Å; L1380-L1401 HydrophobicContact CB-CD2 4.17Å; L1380-L1404 HydrophobicContact CD2-CD1 4.47Å; L1380-L1404 HydrophobicContact CD2-CD2 3.96Å; L1380-I1417 HydrophobicContact CD2-CD1 3.7Å; L1380-I1417 HydrophobicContact CD2-CG2 4.25Å; L1380-W1437 HydrophobicContact CD1-CZ3 4.49Å |
| 1381 | I | 95.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 141.1 | -174.8 | -46.5 | -168 | 0 | 0 | 0 | 109.6 | F1295 F1373 F1374 L1376 Q1379 V1395 G1397 Q1398 | F1295-I1381 HydrophobicContact CE2-CD1 3.51Å; F1295-I1381 HydrophobicContact CZ-CD1 3.71Å; F1373-I1381 CarbonylContact C-O 3.55Å; F1373-I1381 WeakPolarHBondContact CA-O 3.1Å; F1374-I1381 PolarHBondContact N-O 2.95Å; F1374-I1381 PolarHBondContact O-N 3.1Å; L1376-I1381 HydrophobicContact CD1-CD1 3.73Å; L1376-I1381 HydrophobicContact CD1-CG1 4.28Å; Q1379-I1381 HydrophobicContact CB-CG1 4.35Å; I1381-V1395 HydrophobicContact CG2-CG1 3.98Å; I1381-V1395 HydrophobicContact CG2-CG2 4.3Å; I1381-G1397 WeakPolarHBondContact CA-O 3.48Å; I1381-Q1398 HydrophobicContact CD1-CG 4.35Å; I1381-Q1398 HydrophobicContact CG1-CG 4.26Å |
| 1382 | Y | 95.6 | Very high | 87.3 | Confident | 31 Ų | 31 | 32 Ų | 32 | 12% | 0.122 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 144.1 | 173.8 | 81.4 | -80.1 | 0 | 0 | 0 | 113.4 | K1362 R1371 M1372 F1373 H1396 G1397 F1399 | K1362-Y1382 HydrophobicContact CD-CD2 4.23Å; K1362-Y1382 HydrophobicContact CD-CE2 3.66Å; R1371-Y1382 HydrophobicContact CB-CD2 4.25Å; R1371-Y1382 HydrophobicContact CG-CD2 3.89Å; R1371-Y1382 HydrophobicContact CG-CE2 4.42Å; M1372-Y1382 CarbonylContact O-C 3.52Å; M1372-Y1382 VanDerWaalsContact O-CA 3.24Å; M1372-Y1382 WeakPolarHBondContact O-CA 3.27Å; F1373-Y1382 HydrophobicContact CE1-CG 4.2Å; F1373-Y1382 HydrophobicContact CZ-CG 4.31Å; Y1382-H1396 HydrophobicContact CD2-CB 3.98Å; Y1382-H1396 HydrophobicContact CE2-CB 3.45Å; Y1382-H1396 VanDerWaalsContact CE2-CB 3.45Å; Y1382-H1396 PolarHBondContact O-N 2.93Å; Y1382-H1396 PolarHBondContact OH-O 3.45Å; Y1382-G1397 WeakPolarHBondContact CD1-O 3.35Å; Y1382-G1397 VanDerWaalsContact CE1-CA 3.48Å; Y1382-G1397 PolarHBondContact N-O 3.39Å; Y1382-G1397 PolarHBondContact O-N 3.45Å; Y1382-F1399 AromaticContact CD1-CE2 3.81Å; Y1382-F1399 HydrophobicContact CD1-CE2 3.81Å; Y1382-F1399 AromaticContact CE1-CE2 3.71Å; Y1382-F1399 HydrophobicContact CE1-CE2 3.71Å; Y1382-F1399 HydrophobicContact CE1-CZ 4.01Å |
| 1383 | A | 95.5 | Very high | 87 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 154.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1292 R1371 M1372 F1374 F1393 K1394 | L1292-A1383 HydrophobicContact CD2-CB 3.64Å; R1371-A1383 CarbonylContact C-O 3.49Å; R1371-A1383 VanDerWaalsContact CA-O 3.29Å; R1371-A1383 WeakPolarHBondContact CA-O 3.34Å; R1371-A1383 WeakPolarHBondContact CB-O 3.46Å; R1371-A1383 WeakPolarHBondContact CD-O 3.39Å; M1372-A1383 PolarHBondContact N-O 3.32Å; M1372-A1383 PolarHBondContact O-N 2.86Å; F1374-A1383 HydrophobicContact CE2-CB 4.46Å; A1383-F1393 HydrophobicContact CB-CB 3.94Å; A1383-K1394 CarbonylContact C-O 3.39Å; A1383-K1394 WeakPolarHBondContact CA-O 3.45Å; A1383-K1394 VanDerWaalsContact CB-O 3.3Å; A1383-K1394 WeakPolarHBondContact CB-O 3.45Å |
| 1384 | S | 92.6 | Very high | 86.8 | Confident | 23 Ų | 23 | 37.4 Ų | 37.4 | 16% | 0.161 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 148 | 170.5 | 59.1 | 0 | 0 | 0 | 0 | 109.9 | F1393 K1394 H1396 | S1384-F1393 CarbonylContact O-C 3.56Å; S1384-F1393 VanDerWaalsContact O-CA 3.22Å; S1384-F1393 WeakPolarHBondContact O-CA 3.3Å; S1384-K1394 PolarHBondContact N-O 2.98Å; S1384-K1394 PolarHBondContact O-N 3.44Å; S1384-H1396 WeakPolarHBondContact CB-NE2 3.42Å; S1384-H1396 PolarHBondContact OG-CD2 3.32Å; S1384-H1396 PolarHBondContact OG-NE2 2.88Å |
| 1385 | R | 88.8 | Confident | 86.6 | Confident | 68 Ų | 68 | 38.2 Ų | 38.2 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 136.5 | 171.3 | -156.8 | -171.6 | 85 | 174.1 | 6.4 | 109.4 | Q1392 F1393 W1502 H1503 | R1385-Q1392 WeakPolarHBondContact CG-O 3.47Å; R1385-F1393 HydrophobicContact CB-CD1 3.92Å; R1385-F1393 HydrophobicContact CB-CE1 3.72Å; R1385-F1393 HydrophobicContact CG-CD1 4.12Å; R1385-F1393 HydrophobicContact CG-CE1 3.78Å; R1385-F1393 HydrophobicContact CG-CZ 4.12Å; R1385-W1502 HydrophobicContact CB-CD2 4.45Å; R1385-W1502 HydrophobicContact CB-CH2 4.27Å; R1385-W1502 HydrophobicContact CB-CZ2 3.76Å; R1385-H1503 PolarHBondContact NH1-CE1 2.83Å; R1385-H1503 PolarHBondContact NH1-NE2 2.92Å; R1385-H1503 VanDerWaalsContact NH1-NE2 3.11Å |
| 1386 | T | 84.8 | Confident | 86.4 | Confident | 18 Ų | 18 | 42.6 Ų | 42.6 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 160.4 | 170.6 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | I1293 T1388 Q1392 K1394 | I1293-T1386 HydrophobicContact CD1-CG2 3.73Å; I1293-T1386 HydrophobicContact CG1-CG2 4.35Å; T1386-T1388 VanDerWaalsContact C-N 3.26Å; T1386-T1388 WeakPolarHBondContact CB-OG1 3.23Å; T1386-T1388 PolarHBondContact OG1-OG1 3.46Å; T1386-Q1392 HydrophobicContact CG2-CB 4.46Å; T1386-Q1392 PolarHBondContact N-O 3.38Å; T1386-Q1392 PolarHBondContact OG1-O 2.91Å; T1386-Q1392 VanDerWaalsContact OG1-O 3.11Å; T1386-K1394 HydrophobicContact CG2-CB 4.18Å |
| 1387 | M | 73 | Confident | 86 | Confident | 141 Ų | 141 | 43.1 Ų | 43.1 | 70% | 0.695 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -85.5 | 1.7 | 166.9 | -61.4 | -57.2 | 111.9 | 0 | 0 | 112.4 | ||
| 1388 | T | 66 | Low | 85.8 | Confident | 60 Ų | 60 | 43.5 Ų | 43.5 | 37% | 0.368 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -76.4 | 150.2 | 179.2 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | T1386 Y1390 | T1386-T1388 VanDerWaalsContact C-N 3.26Å; T1386-T1388 WeakPolarHBondContact CB-OG1 3.23Å; T1386-T1388 PolarHBondContact OG1-OG1 3.46Å; T1388-Y1390 HydrophobicContact CG2-CD2 4.35Å; T1388-Y1390 HydrophobicContact CG2-CE2 4.19Å; T1388-Y1390 PolarHBondContact O-N 2.95Å; T1388-Y1390 VanDerWaalsContact O-N 3.09Å |
| 1389 | S | 53.4 | Low | 85.8 | Confident | 54 Ų | 54 | 42.4 Ų | 42.4 | 38% | 0.378 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -7.8 | -177.4 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | L1391 | S1389-L1391 VanDerWaalsContact C-N 3.31Å; S1389-L1391 PolarHBondContact O-N 3.49Å |
| 1390 | Y | 60.7 | Low | 85.8 | Confident | 133 Ų | 133 | 43.3 Ų | 43.3 | 52% | 0.522 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -4.3 | -176.2 | -39.2 | -54 | 0 | 0 | 0 | 114.6 | T1388 | T1388-Y1390 HydrophobicContact CG2-CD2 4.35Å; T1388-Y1390 HydrophobicContact CG2-CE2 4.19Å; T1388-Y1390 PolarHBondContact O-N 2.95Å; T1388-Y1390 VanDerWaalsContact O-N 3.09Å |
| 1391 | L | 75.6 | Confident | 85.6 | Confident | 38 Ų | 38 | 43.2 Ų | 43.2 | 20% | 0.199 | 22% | 0.216 | C | C | . | . | trans | 53.9 | 65.8 | -175.6 | -59.3 | 175.6 | 0 | 0 | 0 | 112.2 | S1389 H1499 | S1389-L1391 VanDerWaalsContact C-N 3.31Å; S1389-L1391 PolarHBondContact O-N 3.49Å; L1391-H1499 WeakPolarHBondContact CB-NE2 3.23Å; L1391-H1499 PolarHBondContact O-CE1 3.41Å; L1391-H1499 PolarHBondContact O-NE2 3.2Å | ||
| 1392 | Q | 86.8 | Confident | 85.3 | Confident | 36 Ų | 36 | 48 Ų | 48 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | trans | -121.3 | 165.7 | -179.8 | -73.6 | 179.8 | -50.4 | 0 | 0 | 112.3 | D1291 I1293 R1385 T1386 | D1291-Q1392 WeakPolarHBondContact O-CA 3.42Å; I1293-Q1392 HydrophobicContact CG2-CB 4.26Å; I1293-Q1392 HydrophobicContact CG2-CG 4.36Å; R1385-Q1392 WeakPolarHBondContact CG-O 3.47Å; T1386-Q1392 HydrophobicContact CG2-CB 4.46Å; T1386-Q1392 PolarHBondContact N-O 3.38Å; T1386-Q1392 PolarHBondContact OG1-O 2.91Å; T1386-Q1392 VanDerWaalsContact OG1-O 3.11Å | ||
| 1393 | F | 91.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.8 | -180 | -66.5 | -87.7 | 0 | 0 | 0 | 110.7 | D1291 L1292 I1293 M1372 A1383 S1384 R1385 V1498 H1499 W1502 | D1291-F1393 PolarHBondContact O-N 3.32Å; L1292-F1393 CarbonylContact C-O 3.57Å; L1292-F1393 WeakPolarHBondContact CA-O 3.43Å; L1292-F1393 HydrophobicContact CD2-CB 3.74Å; L1292-F1393 WeakPolarHBondContact CD2-O 3.45Å; I1293-F1393 PolarHBondContact N-O 3.03Å; M1372-F1393 HydrophobicContact CB-CD1 4.22Å; M1372-F1393 HydrophobicContact CB-CE1 4.36Å; M1372-F1393 HydrophobicContact CG-CD1 3.72Å; M1372-F1393 HydrophobicContact CG-CE1 3.39Å; M1372-F1393 HydrophobicContact CG-CG 4.47Å; M1372-F1393 HydrophobicContact CG-CZ 3.9Å; A1383-F1393 HydrophobicContact CB-CB 3.94Å; S1384-F1393 CarbonylContact O-C 3.56Å; S1384-F1393 VanDerWaalsContact O-CA 3.22Å; S1384-F1393 WeakPolarHBondContact O-CA 3.3Å; R1385-F1393 HydrophobicContact CB-CD1 3.92Å; R1385-F1393 HydrophobicContact CB-CE1 3.72Å; R1385-F1393 HydrophobicContact CG-CD1 4.12Å; R1385-F1393 HydrophobicContact CG-CE1 3.78Å; R1385-F1393 HydrophobicContact CG-CZ 4.12Å; F1393-V1498 HydrophobicContact CD2-CG1 3.95Å; F1393-V1498 HydrophobicContact CE2-CB 4.42Å; F1393-V1498 HydrophobicContact CE2-CG1 3.55Å; F1393-V1498 HydrophobicContact CZ-CG1 4.13Å; F1393-H1499 AromaticContact CE2-CD2 3.71Å; F1393-H1499 AromaticContact CE2-NE2 3.58Å; F1393-W1502 HydrophobicContact CE1-CB 4.13Å; F1393-W1502 AromaticContact CE1-CD2 3.84Å; F1393-W1502 HydrophobicContact CE1-CD2 3.84Å; F1393-W1502 AromaticContact CE1-CE3 3.9Å; F1393-W1502 HydrophobicContact CE1-CE3 3.9Å; F1393-W1502 AromaticContact CE1-CG 3.96Å; F1393-W1502 HydrophobicContact CE1-CG 3.96Å; F1393-W1502 HydrophobicContact CZ-CB 3.87Å; F1393-W1502 HydrophobicContact CZ-CD2 4.42Å; F1393-W1502 HydrophobicContact CZ-CG 4.05Å |
| 1394 | K | 92.9 | Very high | 84.7 | Confident | 114 Ų | 114 | 51.5 Ų | 51.5 | 50% | 0.496 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 122.1 | 176.2 | -177.1 | 171.5 | 179.7 | 172.8 | 0 | 110.3 | I1293 A1383 S1384 T1386 | I1293-K1394 HydrophobicContact CG1-CB 4.13Å; I1293-K1394 WeakPolarHBondContact O-CA 3.35Å; A1383-K1394 CarbonylContact C-O 3.39Å; A1383-K1394 WeakPolarHBondContact CA-O 3.45Å; A1383-K1394 VanDerWaalsContact CB-O 3.3Å; A1383-K1394 WeakPolarHBondContact CB-O 3.45Å; S1384-K1394 PolarHBondContact N-O 2.98Å; S1384-K1394 PolarHBondContact O-N 3.44Å; T1386-K1394 HydrophobicContact CG2-CB 4.18Å |
| 1395 | V | 94.1 | Very high | 84.6 | Confident | 18 Ų | 18 | 56.3 Ų | 56.3 | 11% | 0.109 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 137.6 | 175.4 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | L1292 I1293 F1295 I1381 | L1292-V1395 HydrophobicContact CD2-CG2 3.95Å; I1293-V1395 PolarHBondContact O-N 3.17Å; F1295-V1395 HydrophobicContact CD2-CG2 3.98Å; I1381-V1395 HydrophobicContact CG2-CG1 3.98Å; I1381-V1395 HydrophobicContact CG2-CG2 4.3Å |
| 1396 | H | 91.9 | Very high | 84.8 | Confident | 92 Ų | 92 | 54.5 Ų | 54.5 | 43% | 0.426 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | -15.1 | 174.8 | -89.2 | -75.6 | 0 | 0 | 0 | 113.3 | Y1382 S1384 | Y1382-H1396 HydrophobicContact CD2-CB 3.98Å; Y1382-H1396 HydrophobicContact CE2-CB 3.45Å; Y1382-H1396 VanDerWaalsContact CE2-CB 3.45Å; Y1382-H1396 PolarHBondContact O-N 2.93Å; Y1382-H1396 PolarHBondContact OH-O 3.45Å; S1384-H1396 WeakPolarHBondContact CB-NE2 3.42Å; S1384-H1396 PolarHBondContact OG-CD2 3.32Å; S1384-H1396 PolarHBondContact OG-NE2 2.88Å |
| 1397 | G | 90 | Very high | 85.1 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 12% | 0.124 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | 159.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1381 Y1382 | I1381-G1397 WeakPolarHBondContact CA-O 3.48Å; Y1382-G1397 WeakPolarHBondContact CD1-O 3.35Å; Y1382-G1397 VanDerWaalsContact CE1-CA 3.48Å; Y1382-G1397 PolarHBondContact N-O 3.39Å; Y1382-G1397 PolarHBondContact O-N 3.45Å |
| 1398 | Q | 91.5 | Very high | 85.8 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 137.3 | -170.7 | 177 | -174.7 | 3.1 | 0 | 0 | 105.9 | L1380 I1381 | L1380-Q1398 CarbonylContact O-C 3.53Å; L1380-Q1398 WeakPolarHBondContact O-CA 3.24Å; I1381-Q1398 HydrophobicContact CD1-CG 4.35Å; I1381-Q1398 HydrophobicContact CG1-CG 4.26Å |
| 1399 | F | 92.5 | Very high | 86.7 | Confident | 16 Ų | 16 | 56.8 Ų | 56.8 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 134.8 | -174.2 | -56 | -75.9 | 0 | 0 | 0 | 109.6 | Q1379 L1380 Y1382 L1404 S1419 R1422 F1424 | Q1379-F1399 CarbonylContact C-O 3.59Å; Q1379-F1399 VanDerWaalsContact CA-O 3.25Å; Q1379-F1399 WeakPolarHBondContact CA-O 3.49Å; L1380-F1399 PolarHBondContact N-O 3.36Å; L1380-F1399 PolarHBondContact O-N 3.35Å; Y1382-F1399 AromaticContact CD1-CE2 3.81Å; Y1382-F1399 HydrophobicContact CD1-CE2 3.81Å; Y1382-F1399 AromaticContact CE1-CE2 3.71Å; Y1382-F1399 HydrophobicContact CE1-CE2 3.71Å; Y1382-F1399 HydrophobicContact CE1-CZ 4.01Å; F1399-L1404 HydrophobicContact CB-CD1 3.54Å; F1399-L1404 HydrophobicContact CG-CD1 4.22Å; F1399-S1419 VanDerWaalsContact CD1-CB 3.5Å; F1399-S1419 VanDerWaalsContact CD1-OG 3.29Å; F1399-S1419 WeakPolarHBondContact CD1-OG 3.4Å; F1399-R1422 HydrophobicContact CE1-CB 4.48Å; F1399-F1424 HydrophobicContact CD2-CE1 4.45Å; F1399-F1424 HydrophobicContact CD2-CZ 4.36Å; F1399-F1424 HydrophobicContact CE1-CE1 4.26Å; F1399-F1424 AromaticContact CE2-CE1 3.56Å; F1399-F1424 HydrophobicContact CE2-CE1 3.56Å; F1399-F1424 AromaticContact CE2-CZ 3.59Å; F1399-F1424 HydrophobicContact CE2-CZ 3.59Å; F1399-F1424 HydrophobicContact CZ-CD1 4.38Å; F1399-F1424 AromaticContact CZ-CE1 3.44Å; F1399-F1424 HydrophobicContact CZ-CE1 3.44Å; F1399-F1424 VanDerWaalsContact CZ-CE1 3.44Å; F1399-F1424 AromaticContact CZ-CZ 3.98Å; F1399-F1424 HydrophobicContact CZ-CZ 3.98Å |
| 1400 | S | 92.3 | Very high | 87.8 | Confident | 36 Ų | 36 | 62.9 Ų | 62.9 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 143.1 | 168.7 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | Q1402 | S1400-Q1402 VanDerWaalsContact C-N 3.25Å; S1400-Q1402 PolarHBondContact O-N 2.96Å; S1400-Q1402 PolarHBondContact OG-N 3.48Å; S1400-Q1402 PolarHBondContact OG-OE1 2.99Å |
| 1401 | L | 92.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -74.8 | -12.7 | 172.5 | -67.8 | -172.6 | 0 | 0 | 0 | 114 | L1375 L1376 D1378 L1380 L1404 A1444 I1445 A1448 | L1375-L1401 HydrophobicContact CD1-CD1 4Å; L1375-L1401 HydrophobicContact CD1-CD2 3.93Å; L1376-L1401 VanDerWaalsContact O-CD1 3.27Å; L1376-L1401 WeakPolarHBondContact O-CD1 3.41Å; D1378-L1401 PolarHBondContact O-N 3.28Å; L1380-L1401 HydrophobicContact CB-CD2 4.17Å; L1401-L1404 HydrophobicContact CD2-CB 4.29Å; L1401-L1404 HydrophobicContact CD2-CD2 3.91Å; L1401-A1444 HydrophobicContact CD1-CB 3.57Å; L1401-I1445 HydrophobicContact CD2-CG1 4.32Å; L1401-A1448 HydrophobicContact CB-CB 3.83Å |
| 1402 | Q | 88.2 | Confident | 88.4 | Confident | 101 Ų | 101 | 61.5 Ų | 61.5 | 47% | 0.472 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -66.6 | -45.3 | 175.2 | -68.5 | 153.7 | -37.1 | 0 | 0 | 110.7 | S1400 K1449 | S1400-Q1402 VanDerWaalsContact C-N 3.25Å; S1400-Q1402 PolarHBondContact O-N 2.96Å; S1400-Q1402 PolarHBondContact OG-N 3.48Å; S1400-Q1402 PolarHBondContact OG-OE1 2.99Å; Q1402-K1449 WeakPolarHBondContact O-CE 3.29Å; Q1402-K1449 PolarHBondContact O-NZ 3.34Å |
| 1403 | D | 86.2 | Confident | 88.5 | Confident | 104 Ų | 104 | 62.9 Ų | 62.9 | 56% | 0.556 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -91.3 | 3.2 | -178.8 | -49.4 | -58 | 0 | 0 | 0 | 113.6 | S1419 G1420 | D1403-S1419 WeakPolarHBondContact O-CA 3.42Å; D1403-G1420 PolarHBondContact O-N 3.25Å |
| 1404 | L | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 141.2 | -177.4 | -140.6 | 96.3 | 0 | 0 | 0 | 111.8 | L1380 F1399 L1401 V1406 I1417 Y1418 I1441 I1445 | L1380-L1404 HydrophobicContact CD2-CD1 4.47Å; L1380-L1404 HydrophobicContact CD2-CD2 3.96Å; F1399-L1404 HydrophobicContact CB-CD1 3.54Å; F1399-L1404 HydrophobicContact CG-CD1 4.22Å; L1401-L1404 HydrophobicContact CD2-CB 4.29Å; L1401-L1404 HydrophobicContact CD2-CD2 3.91Å; L1404-V1406 HydrophobicContact CD2-CG1 4.35Å; L1404-I1417 HydrophobicContact CD1-CG2 4.05Å; L1404-I1417 HydrophobicContact CD2-CG2 3.85Å; L1404-I1417 HydrophobicContact CG-CG2 3.92Å; L1404-Y1418 WeakPolarHBondContact CA-O 3.33Å; L1404-I1441 HydrophobicContact CD2-CG2 3.76Å; L1404-I1445 HydrophobicContact CB-CD1 4.05Å; L1404-I1445 HydrophobicContact CB-CG1 4.09Å; L1404-I1445 HydrophobicContact CD2-CD1 4.11Å; L1404-I1445 HydrophobicContact CD2-CG1 4.49Å |
| 1405 | M | 91 | Very high | 88.7 | Confident | 124 Ų | 124 | 57.5 Ų | 57.5 | 61% | 0.611 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 152.2 | 165.4 | -69.4 | 179.5 | 59.9 | 0 | 0 | 109.6 | Y1418 | M1405-Y1418 HydrophobicContact CB-CD2 4.4Å; M1405-Y1418 PolarHBondContact N-O 3.44Å; M1405-Y1418 PolarHBondContact O-N 3.12Å |
| 1406 | V | 93.8 | Very high | 88.7 | Confident | 30 Ų | 30 | 57.4 Ų | 57.4 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 147.2 | 177.7 | -68.9 | 0 | 0 | 0 | 0 | 111.2 | L1404 T1416 I1417 L1438 I1441 I1445 | L1404-V1406 HydrophobicContact CD2-CG1 4.35Å; V1406-T1416 WeakPolarHBondContact CA-O 3.38Å; V1406-I1417 HydrophobicContact CG1-CB 4.44Å; V1406-I1417 HydrophobicContact CG1-CG1 4.1Å; V1406-I1417 HydrophobicContact CG1-CG2 4.24Å; V1406-L1438 HydrophobicContact CB-CD2 3.97Å; V1406-L1438 HydrophobicContact CG2-CD2 3.97Å; V1406-I1441 HydrophobicContact CB-CG2 4.48Å; V1406-I1441 HydrophobicContact CG1-CB 4.43Å; V1406-I1441 HydrophobicContact CG1-CD1 4.39Å; V1406-I1441 HydrophobicContact CG1-CG2 3.6Å; V1406-I1441 HydrophobicContact CG2-CB 4.5Å; V1406-I1441 HydrophobicContact CG2-CG2 4.02Å; V1406-I1445 HydrophobicContact CG2-CD1 4.44Å |
| 1407 | E | 90.3 | Very high | 88.9 | Confident | 99 Ų | 99 | 53 Ų | 53 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 138 | -174.8 | -173.6 | 176.4 | -155 | 0 | 0 | 110.1 | V1409 F1415 T1416 Y1418 | E1407-V1409 HydrophobicContact CB-CG2 4.45Å; E1407-V1409 HydrophobicContact CG-CG2 4.23Å; E1407-F1415 CarbonylContact O-C 3.55Å; E1407-F1415 VanDerWaalsContact O-CA 3.24Å; E1407-F1415 WeakPolarHBondContact O-CA 3.47Å; E1407-F1415 VanDerWaalsContact O-CB 3.28Å; E1407-F1415 WeakPolarHBondContact O-CB 3.48Å; E1407-T1416 PolarHBondContact N-O 3.25Å; E1407-T1416 VanDerWaalsContact N-O 3.09Å; E1407-T1416 PolarHBondContact O-N 3.2Å; E1407-Y1418 HydrophobicContact CB-CE2 3.91Å; E1407-Y1418 WeakPolarHBondContact OE2-CE2 3.39Å; E1407-Y1418 PolarHBondContact OE2-OH 3.15Å |
| 1408 | E | 88.5 | Confident | 89 | Confident | 117 Ų | 117 | 56.5 Ų | 56.5 | 55% | 0.547 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 130.6 | 173.9 | -175.3 | 179 | 158.5 | 0 | 0 | 109.9 | R1434 L1438 | E1408-R1434 VanDerWaalsContact CD-CZ 3.4Å; E1408-R1434 VanDerWaalsContact CD-NH2 3.29Å; E1408-R1434 IonicContact OE1-CZ 3.7Å; E1408-R1434 IonicContact OE1-NH1 3.44Å; E1408-R1434 PolarHBondContact OE1-NH1 3.45Å; E1408-R1434 IonicContact OE1-NH2 2.67Å; E1408-R1434 PolarHBondContact OE1-NH2 3.16Å; E1408-R1434 IonicContact OE2-CZ 2.98Å; E1408-R1434 IonicContact OE2-NH2 3.88Å; E1408-R1434 PolarHBondContact OE2-NH2 3.48Å; E1408-L1438 HydrophobicContact CB-CD1 4.13Å; E1408-L1438 HydrophobicContact CG-CD1 4.47Å |
| 1409 | V | 85 | Confident | 88.9 | Confident | 51 Ų | 51 | 56.4 Ų | 56.4 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | trans | -140.8 | 144.6 | -172.6 | -165.4 | 0 | 0 | 0 | 0 | 110.2 | E1407 P1411 S1414 T1416 L1425 | E1407-V1409 HydrophobicContact CB-CG2 4.45Å; E1407-V1409 HydrophobicContact CG-CG2 4.23Å; V1409-P1411 VanDerWaalsContact O-O 3.05Å; V1409-S1414 PolarHBondContact O-OG 3.26Å; V1409-T1416 WeakPolarHBondContact CG2-OG1 3.28Å; V1409-L1425 HydrophobicContact CB-CD1 4.2Å | ||
| 1410 | E | 75.3 | Confident | 88.4 | Confident | 182 Ų | 182 | 58.3 Ų | 58.3 | 85% | 0.85 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -72.9 | 139.4 | 167.7 | -65.6 | -165.1 | 143 | 0 | 0 | 110.4 | ||
| 1411 | P | 72.4 | Confident | 87.9 | Confident | 71 Ų | 71 | 65 Ų | 65 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | S | Bend | cis | -81.7 | 171 | 19 | 33.2 | -38.2 | 0 | 0 | 0 | 115.4 | V1409 S1414 | V1409-P1411 VanDerWaalsContact O-O 3.05Å; P1411-S1414 WeakPolarHBondContact O-CB 3.28Å; P1411-S1414 PolarHBondContact O-N 3.25Å; P1411-S1414 PolarHBondContact O-OG 3.22Å |
| 1412 | A | 77.4 | Confident | 87.6 | Confident | 72 Ų | 72 | 73 Ų | 73 | 60% | 0.595 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 147.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | S1414 | A1412-S1414 PolarHBondContact O-N 3.05Å; A1412-S1414 VanDerWaalsContact O-N 3.17Å |
| 1413 | H | 87.8 | Confident | 87.7 | Confident | 65 Ų | 65 | 72.4 Ų | 72.4 | 30% | 0.301 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 8.6 | -176.9 | -37.3 | -32.5 | 0 | 0 | 0 | 115.4 | A1428 D1431 | H1413-A1428 PolarHBondContact O-N 2.9Å; H1413-D1431 IonicContact CE1-OD1 3.57Å; H1413-D1431 PolarHBondContact CE1-OD1 3.26Å; H1413-D1431 IonicContact CE1-OD2 3.3Å; H1413-D1431 PolarHBondContact CE1-OD2 3.24Å; H1413-D1431 IonicContact CG-OD1 3.59Å; H1413-D1431 PolarHBondContact ND1-N 3.13Å; H1413-D1431 IonicContact ND1-OD1 2.7Å; H1413-D1431 PolarHBondContact ND1-OD1 3.5Å; H1413-D1431 IonicContact ND1-OD2 2.7Å; H1413-D1431 PolarHBondContact ND1-OD2 3.45Å |
| 1414 | S | 92.9 | Very high | 88 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 161.4 | -178.7 | 87.9 | 0 | 0 | 0 | 0 | 115 | V1409 P1411 A1412 V1426 R1434 | V1409-S1414 PolarHBondContact O-OG 3.26Å; P1411-S1414 WeakPolarHBondContact O-CB 3.28Å; P1411-S1414 PolarHBondContact O-N 3.25Å; P1411-S1414 PolarHBondContact O-OG 3.22Å; A1412-S1414 PolarHBondContact O-N 3.05Å; A1412-S1414 VanDerWaalsContact O-N 3.17Å; S1414-V1426 CarbonylContact C-O 3.45Å; S1414-V1426 VanDerWaalsContact CA-O 3.23Å; S1414-V1426 WeakPolarHBondContact CA-O 3.21Å; S1414-V1426 WeakPolarHBondContact CB-O 3.31Å; S1414-R1434 WeakPolarHBondContact O-CD 3.33Å |
| 1415 | F | 95.9 | Very high | 88 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 149.8 | 178.5 | 66.9 | -76 | 0 | 0 | 0 | 110.3 | L1360 E1407 I1417 V1426 R1434 W1437 L1438 I1441 | L1360-F1415 HydrophobicContact CD1-CE1 4.23Å; L1360-F1415 HydrophobicContact CD1-CZ 3.94Å; E1407-F1415 CarbonylContact O-C 3.55Å; E1407-F1415 VanDerWaalsContact O-CA 3.24Å; E1407-F1415 WeakPolarHBondContact O-CA 3.47Å; E1407-F1415 VanDerWaalsContact O-CB 3.28Å; E1407-F1415 WeakPolarHBondContact O-CB 3.48Å; F1415-I1417 HydrophobicContact CD2-CG1 4.06Å; F1415-I1417 HydrophobicContact CE2-CD1 3.78Å; F1415-I1417 HydrophobicContact CE2-CG1 3.76Å; F1415-I1417 HydrophobicContact CZ-CD1 4.41Å; F1415-V1426 HydrophobicContact CD1-CB 4.42Å; F1415-V1426 WeakPolarHBondContact CD1-O 3.32Å; F1415-V1426 HydrophobicContact CE1-CB 4.1Å; F1415-V1426 HydrophobicContact CE1-CG1 4.11Å; F1415-V1426 HydrophobicContact CZ-CB 4.21Å; F1415-V1426 HydrophobicContact CZ-CG1 4.23Å; F1415-V1426 PolarHBondContact N-O 3.16Å; F1415-V1426 PolarHBondContact O-N 2.68Å; F1415-V1426 VanDerWaalsContact O-O 3.1Å; F1415-R1434 HydrophobicContact CD1-CG 3.94Å; F1415-W1437 HydrophobicContact CE1-CB 4.36Å; F1415-W1437 HydrophobicContact CZ-CB 3.96Å; F1415-L1438 HydrophobicContact CB-CD1 4.32Å; F1415-L1438 HydrophobicContact CB-CD2 3.91Å; F1415-L1438 HydrophobicContact CB-CG 4.31Å; F1415-L1438 HydrophobicContact CD2-CD2 3.74Å; F1415-L1438 HydrophobicContact CD2-CG 4.36Å; F1415-L1438 HydrophobicContact CE2-CD2 4.49Å; F1415-L1438 HydrophobicContact CG-CD2 4.01Å; F1415-L1438 HydrophobicContact CG-CG 4.31Å; F1415-I1441 HydrophobicContact CE2-CD1 3.98Å; F1415-I1441 HydrophobicContact CZ-CD1 4.42Å |
| 1416 | T | 94.5 | Very high | 88.3 | Confident | 16 Ų | 16 | 63.6 Ų | 63.6 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 139.8 | 176.5 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | V1406 E1407 V1409 Y1418 C1423 L1425 | V1406-T1416 WeakPolarHBondContact CA-O 3.38Å; E1407-T1416 PolarHBondContact N-O 3.25Å; E1407-T1416 VanDerWaalsContact N-O 3.09Å; E1407-T1416 PolarHBondContact O-N 3.2Å; V1409-T1416 WeakPolarHBondContact CG2-OG1 3.28Å; T1416-Y1418 HydrophobicContact CG2-CD1 4.2Å; T1416-Y1418 HydrophobicContact CG2-CD2 4Å; T1416-Y1418 HydrophobicContact CG2-CE1 3.78Å; T1416-Y1418 HydrophobicContact CG2-CE2 3.6Å; T1416-Y1418 HydrophobicContact CG2-CG 4.29Å; T1416-Y1418 VanDerWaalsContact CG2-CZ 3.49Å; T1416-C1423 HydrophobicContact CG2-CB 4.39Å; T1416-L1425 WeakPolarHBondContact OG1-CD1 3.29Å |
| 1417 | I | 95.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.9 | 167.9 | -48.9 | -170.3 | 0 | 0 | 0 | 108.3 | F1373 L1380 L1404 V1406 F1415 C1423 F1424 V1426 I1441 | F1373-I1417 HydrophobicContact CE1-CD1 4.42Å; L1380-I1417 HydrophobicContact CD2-CD1 3.7Å; L1380-I1417 HydrophobicContact CD2-CG2 4.25Å; L1404-I1417 HydrophobicContact CD1-CG2 4.05Å; L1404-I1417 HydrophobicContact CD2-CG2 3.85Å; L1404-I1417 HydrophobicContact CG-CG2 3.92Å; V1406-I1417 HydrophobicContact CG1-CB 4.44Å; V1406-I1417 HydrophobicContact CG1-CG1 4.1Å; V1406-I1417 HydrophobicContact CG1-CG2 4.24Å; F1415-I1417 HydrophobicContact CD2-CG1 4.06Å; F1415-I1417 HydrophobicContact CE2-CD1 3.78Å; F1415-I1417 HydrophobicContact CE2-CG1 3.76Å; F1415-I1417 HydrophobicContact CZ-CD1 4.41Å; I1417-C1423 CarbonylContact O-C 3.51Å; I1417-C1423 VanDerWaalsContact O-CA 3.3Å; I1417-C1423 WeakPolarHBondContact O-CA 3.48Å; I1417-F1424 HydrophobicContact CB-CD2 4.42Å; I1417-F1424 HydrophobicContact CB-CE1 4.21Å; I1417-F1424 HydrophobicContact CB-CE2 3.95Å; I1417-F1424 HydrophobicContact CB-CZ 3.82Å; I1417-F1424 HydrophobicContact CD1-CE2 3.91Å; I1417-F1424 HydrophobicContact CD1-CZ 4.16Å; I1417-F1424 HydrophobicContact CG1-CE2 4.16Å; I1417-F1424 HydrophobicContact CG1-CZ 4.42Å; I1417-F1424 HydrophobicContact CG2-CE1 4.33Å; I1417-F1424 HydrophobicContact CG2-CZ 4Å; I1417-F1424 PolarHBondContact N-O 3.4Å; I1417-F1424 PolarHBondContact O-N 3.32Å; I1417-V1426 HydrophobicContact CD1-CG2 3.99Å; I1417-V1426 HydrophobicContact CG1-CG2 4.06Å; I1417-I1441 HydrophobicContact CD1-CD1 4.49Å |
| 1418 | Y | 93.6 | Very high | 88.6 | Confident | 85 Ų | 85 | 58.2 Ų | 58.2 | 33% | 0.333 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 138.6 | 172.6 | -52.5 | -93 | 0 | 0 | 0 | 108.8 | L1404 M1405 E1407 T1416 R1422 C1423 | L1404-Y1418 WeakPolarHBondContact CA-O 3.33Å; M1405-Y1418 HydrophobicContact CB-CD2 4.4Å; M1405-Y1418 PolarHBondContact N-O 3.44Å; M1405-Y1418 PolarHBondContact O-N 3.12Å; E1407-Y1418 HydrophobicContact CB-CE2 3.91Å; E1407-Y1418 WeakPolarHBondContact OE2-CE2 3.39Å; E1407-Y1418 PolarHBondContact OE2-OH 3.15Å; T1416-Y1418 HydrophobicContact CG2-CD1 4.2Å; T1416-Y1418 HydrophobicContact CG2-CD2 4Å; T1416-Y1418 HydrophobicContact CG2-CE1 3.78Å; T1416-Y1418 HydrophobicContact CG2-CE2 3.6Å; T1416-Y1418 HydrophobicContact CG2-CG 4.29Å; T1416-Y1418 VanDerWaalsContact CG2-CZ 3.49Å; Y1418-R1422 CarbonylContact C-O 3.57Å; Y1418-C1423 HydrophobicContact CD1-CB 3.58Å; Y1418-C1423 HydrophobicContact CE1-CB 3.97Å; Y1418-C1423 HydrophobicContact CG-CB 4.43Å |
| 1419 | S | 88.7 | Confident | 88.7 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 100.8 | 174.5 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | F1399 D1403 N1421 R1422 | F1399-S1419 VanDerWaalsContact CD1-CB 3.5Å; F1399-S1419 VanDerWaalsContact CD1-OG 3.29Å; F1399-S1419 WeakPolarHBondContact CD1-OG 3.4Å; D1403-S1419 WeakPolarHBondContact O-CA 3.42Å; S1419-N1421 PolarHBondContact O-N 3.1Å; S1419-R1422 PolarHBondContact N-O 3.46Å; S1419-R1422 PolarHBondContact O-N 3.03Å |
| 1420 | G | 81.9 | Confident | 89 | Confident | 57 Ų | 57 | 54.4 Ų | 54.4 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | -125.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1403 R1422 | D1403-G1420 PolarHBondContact O-N 3.25Å; G1420-R1422 PolarHBondContact O-N 2.8Å; G1420-R1422 VanDerWaalsContact O-N 3.11Å |
| 1421 | N | 81.6 | Confident | 89.6 | Confident | 177 Ų | 177 | 48.5 Ų | 48.5 | 95% | 0.947 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 9.8 | -177.7 | -60.1 | -3.3 | 0 | 0 | 0 | 114.6 | S1419 | S1419-N1421 PolarHBondContact O-N 3.1Š|
| 1422 | R | 86.9 | Confident | 90.4 | Very high | 166 Ų | 166 | 48.5 Ų | 48.5 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.6 | -179.4 | -67.8 | 176.5 | 173.9 | 169.5 | -0.1 | 110.7 | F1399 Y1418 S1419 G1420 | F1399-R1422 HydrophobicContact CE1-CB 4.48Å; Y1418-R1422 CarbonylContact C-O 3.57Å; S1419-R1422 PolarHBondContact N-O 3.46Å; S1419-R1422 PolarHBondContact O-N 3.03Å; G1420-R1422 PolarHBondContact O-N 2.8Å; G1420-R1422 VanDerWaalsContact O-N 3.11Å |
| 1423 | C | 89.8 | Confident | 91.1 | Very high | 89 Ų | 89 | 45.4 Ų | 45.4 | 60% | 0.601 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 152.8 | 165.8 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | T1416 I1417 Y1418 | T1416-C1423 HydrophobicContact CG2-CB 4.39Å; I1417-C1423 CarbonylContact O-C 3.51Å; I1417-C1423 VanDerWaalsContact O-CA 3.3Å; I1417-C1423 WeakPolarHBondContact O-CA 3.48Å; Y1418-C1423 HydrophobicContact CD1-CB 3.58Å; Y1418-C1423 HydrophobicContact CE1-CB 3.97Å; Y1418-C1423 HydrophobicContact CG-CB 4.43Å |
| 1424 | F | 92.7 | Very high | 91.4 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 7% | 0.066 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 136.1 | 168.6 | 53.8 | -83.3 | 0 | 0 | 0 | 112.2 | K1362 F1373 F1399 I1417 V1426 | K1362-F1424 HydrophobicContact CD-CD2 4.06Å; K1362-F1424 HydrophobicContact CD-CG 4.49Å; K1362-F1424 HydrophobicContact CG-CD2 3.9Å; F1373-F1424 HydrophobicContact CE1-CE2 4.02Å; F1373-F1424 HydrophobicContact CZ-CE2 4.17Å; F1399-F1424 HydrophobicContact CD2-CE1 4.45Å; F1399-F1424 HydrophobicContact CD2-CZ 4.36Å; F1399-F1424 HydrophobicContact CE1-CE1 4.26Å; F1399-F1424 AromaticContact CE2-CE1 3.56Å; F1399-F1424 HydrophobicContact CE2-CE1 3.56Å; F1399-F1424 AromaticContact CE2-CZ 3.59Å; F1399-F1424 HydrophobicContact CE2-CZ 3.59Å; F1399-F1424 HydrophobicContact CZ-CD1 4.38Å; F1399-F1424 AromaticContact CZ-CE1 3.44Å; F1399-F1424 HydrophobicContact CZ-CE1 3.44Å; F1399-F1424 VanDerWaalsContact CZ-CE1 3.44Å; F1399-F1424 AromaticContact CZ-CZ 3.98Å; F1399-F1424 HydrophobicContact CZ-CZ 3.98Å; I1417-F1424 HydrophobicContact CB-CD2 4.42Å; I1417-F1424 HydrophobicContact CB-CE1 4.21Å; I1417-F1424 HydrophobicContact CB-CE2 3.95Å; I1417-F1424 HydrophobicContact CB-CZ 3.82Å; I1417-F1424 HydrophobicContact CD1-CE2 3.91Å; I1417-F1424 HydrophobicContact CD1-CZ 4.16Å; I1417-F1424 HydrophobicContact CG1-CE2 4.16Å; I1417-F1424 HydrophobicContact CG1-CZ 4.42Å; I1417-F1424 HydrophobicContact CG2-CE1 4.33Å; I1417-F1424 HydrophobicContact CG2-CZ 4Å; I1417-F1424 PolarHBondContact N-O 3.4Å; I1417-F1424 PolarHBondContact O-N 3.32Å; F1424-V1426 HydrophobicContact CD2-CG2 3.46Å; F1424-V1426 VanDerWaalsContact CD2-CG2 3.46Å; F1424-V1426 HydrophobicContact CE2-CG2 3.57Å |
| 1425 | L | 93.7 | Very high | 91.4 | Very high | 29 Ų | 29 | 46.6 Ų | 46.6 | 15% | 0.152 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 141.7 | 171.4 | -167.6 | 74.5 | 0 | 0 | 0 | 110.6 | L1363 Y1368 V1409 T1416 | L1363-L1425 HydrophobicContact CB-CB 4.01Å; L1363-L1425 HydrophobicContact CD2-CB 4.1Å; L1363-L1425 HydrophobicContact CD2-CD2 3.94Å; L1363-L1425 PolarHBondContact N-O 3.39Å; Y1368-L1425 HydrophobicContact CE1-CD2 4.49Å; Y1368-L1425 WeakPolarHBondContact OH-CD2 3.44Å; V1409-L1425 HydrophobicContact CB-CD1 4.2Å; T1416-L1425 WeakPolarHBondContact OG1-CD1 3.29Å |
| 1426 | V | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 136 | 178.3 | -171.6 | 0 | 0 | 0 | 0 | 109.5 | L1360 Q1361 F1373 S1414 F1415 I1417 F1424 | L1360-V1426 HydrophobicContact CB-CG1 3.56Å; L1360-V1426 HydrophobicContact CD1-CG1 3.66Å; L1360-V1426 HydrophobicContact CG-CG1 4.12Å; Q1361-V1426 CarbonylContact O-C 3.57Å; Q1361-V1426 WeakPolarHBondContact O-CA 3.34Å; F1373-V1426 HydrophobicContact CE2-CG1 4.22Å; F1373-V1426 HydrophobicContact CZ-CG1 4.14Å; F1373-V1426 HydrophobicContact CZ-CG2 4.1Å; S1414-V1426 CarbonylContact C-O 3.45Å; S1414-V1426 VanDerWaalsContact CA-O 3.23Å; S1414-V1426 WeakPolarHBondContact CA-O 3.21Å; S1414-V1426 WeakPolarHBondContact CB-O 3.31Å; F1415-V1426 HydrophobicContact CD1-CB 4.42Å; F1415-V1426 WeakPolarHBondContact CD1-O 3.32Å; F1415-V1426 HydrophobicContact CE1-CB 4.1Å; F1415-V1426 HydrophobicContact CE1-CG1 4.11Å; F1415-V1426 HydrophobicContact CZ-CB 4.21Å; F1415-V1426 HydrophobicContact CZ-CG1 4.23Å; F1415-V1426 PolarHBondContact N-O 3.16Å; F1415-V1426 PolarHBondContact O-N 2.68Å; F1415-V1426 VanDerWaalsContact O-O 3.1Å; I1417-V1426 HydrophobicContact CD1-CG2 3.99Å; I1417-V1426 HydrophobicContact CG1-CG2 4.06Å; F1424-V1426 HydrophobicContact CD2-CG2 3.46Å; F1424-V1426 VanDerWaalsContact CD2-CG2 3.46Å; F1424-V1426 HydrophobicContact CE2-CG2 3.57Å |
| 1427 | A | 95.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q1361 Y1368 | Q1361-A1427 HydrophobicContact CB-CB 4.47Å; Q1361-A1427 PolarHBondContact N-O 2.98Å; Q1361-A1427 PolarHBondContact O-N 3.11Å; Y1368-A1427 HydrophobicContact CD1-CB 4.12Å; Y1368-A1427 HydrophobicContact CE1-CB 3.69Å |
| 1428 | A | 95.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 51 Ų | 51 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | trans | -94.2 | 169.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1360 H1413 S1430 Q1433 R1434 | L1360-A1428 HydrophobicContact CD2-CB 3.61Å; H1413-A1428 PolarHBondContact O-N 2.9Å; A1428-S1430 PolarHBondContact O-N 3.22Å; A1428-Q1433 HydrophobicContact CB-CB 3.95Å; A1428-R1434 HydrophobicContact CB-CB 3.89Å | ||
| 1429 | S | 90.6 | Very high | 91.4 | Very high | 51 Ų | 51 | 50.7 Ų | 50.7 | 36% | 0.357 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -74.8 | -10.6 | 178.5 | 71.6 | 0 | 0 | 0 | 0 | 114.4 | Q1433 C1505 | S1429-Q1433 PolarHBondContact OG-NE2 3.38Å; S1429-Q1433 VanDerWaalsContact OG-NE2 3.12Å; S1429-Q1433 PolarHBondContact OG-OE1 3.28Å; S1429-C1505 PolarHBondContact OG-O 2.98Å |
| 1430 | S | 90.7 | Very high | 91.8 | Very high | 37 Ų | 37 | 50.5 Ų | 50.5 | 26% | 0.259 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -171 | 160.5 | 179.9 | 49.9 | 0 | 0 | 0 | 0 | 110.6 | A1428 W1432 Q1433 R1434 | A1428-S1430 PolarHBondContact O-N 3.22Å; S1430-W1432 VanDerWaalsContact C-N 3.32Å; S1430-W1432 PolarHBondContact O-N 3.44Å; S1430-Q1433 PolarHBondContact O-N 3.06Å; S1430-Q1433 VanDerWaalsContact O-N 3.07Å; S1430-R1434 PolarHBondContact O-N 2.86Å; S1430-R1434 VanDerWaalsContact O-N 3.08Å |
| 1431 | D | 89.6 | Confident | 92.5 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 31% | 0.31 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -53.1 | -48.5 | 177.5 | -48.3 | -68.6 | 0 | 0 | 0 | 111.6 | H1413 Q1433 R1434 D1435 | H1413-D1431 IonicContact CE1-OD1 3.57Å; H1413-D1431 PolarHBondContact CE1-OD1 3.26Å; H1413-D1431 IonicContact CE1-OD2 3.3Å; H1413-D1431 PolarHBondContact CE1-OD2 3.24Å; H1413-D1431 IonicContact CG-OD1 3.59Å; H1413-D1431 PolarHBondContact ND1-N 3.13Å; H1413-D1431 IonicContact ND1-OD1 2.7Å; H1413-D1431 PolarHBondContact ND1-OD1 3.5Å; H1413-D1431 IonicContact ND1-OD2 2.7Å; H1413-D1431 PolarHBondContact ND1-OD2 3.45Å; D1431-Q1433 PolarHBondContact O-N 3.18Å; D1431-Q1433 VanDerWaalsContact O-N 3.09Å; D1431-R1434 CarbonylContact O-C 3.52Å; D1431-R1434 WeakPolarHBondContact O-CA 3.49Å; D1431-R1434 WeakPolarHBondContact O-CB 3.41Å; D1431-R1434 PolarHBondContact O-N 3.12Å; D1431-D1435 WeakPolarHBondContact O-CB 3.26Å; D1431-D1435 PolarHBondContact O-N 2.81Å |
| 1432 | W | 87.7 | Confident | 93.1 | Very high | 71 Ų | 71 | 41.8 Ų | 41.8 | 27% | 0.269 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56 | -33.9 | 179.7 | -179.8 | 89 | 0 | 0 | 0 | 113.5 | S1430 R1436 A1616 | S1430-W1432 VanDerWaalsContact C-N 3.32Å; S1430-W1432 PolarHBondContact O-N 3.44Å; W1432-R1436 HydrophobicContact CH2-CG 4.34Å; W1432-R1436 HydrophobicContact CZ2-CG 4.1Å; W1432-R1436 VanDerWaalsContact O-CG 3.26Å; W1432-R1436 WeakPolarHBondContact O-CG 3.48Å; W1432-R1436 PolarHBondContact O-N 3.04Å; W1432-A1616 VanDerWaalsContact CH2-CA 3.43Å; W1432-A1616 HydrophobicContact CH2-CB 3.64Å; W1432-A1616 HydrophobicContact CZ2-CB 4.48Å; W1432-A1616 HydrophobicContact CZ3-CB 4.22Å |
| 1433 | Q | 92.8 | Very high | 93.5 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -76.7 | -40.7 | 173.7 | -73 | -172.8 | 4.8 | 0 | 0 | 112.1 | A1428 S1429 S1430 D1431 R1436 W1437 C1505 T1507 | A1428-Q1433 HydrophobicContact CB-CB 3.95Å; S1429-Q1433 PolarHBondContact OG-NE2 3.38Å; S1429-Q1433 VanDerWaalsContact OG-NE2 3.12Å; S1429-Q1433 PolarHBondContact OG-OE1 3.28Å; S1430-Q1433 PolarHBondContact O-N 3.06Å; S1430-Q1433 VanDerWaalsContact O-N 3.07Å; D1431-Q1433 PolarHBondContact O-N 3.18Å; D1431-Q1433 VanDerWaalsContact O-N 3.09Å; Q1433-R1436 PolarHBondContact O-N 3.42Å; Q1433-W1437 VanDerWaalsContact O-CD1 3.23Å; Q1433-W1437 PolarHBondContact O-N 3.29Å; Q1433-C1505 PolarHBondContact NE2-O 3.5Å; Q1433-C1505 VanDerWaalsContact NE2-O 3.08Å; Q1433-C1505 PolarHBondContact OE1-O 3.39Å; Q1433-T1507 HydrophobicContact CB-CG2 4.29Å; Q1433-T1507 HydrophobicContact CG-CG2 4.11Å |
| 1434 | R | 93.9 | Very high | 93.8 | Very high | 25 Ų | 25 | 35.4 Ų | 35.4 | 9% | 0.094 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.9 | -51.8 | 174.2 | 174.8 | -161.2 | 66.9 | 161.7 | 14.7 | 110.6 | E1408 S1414 F1415 A1428 S1430 D1431 R1436 W1437 L1438 | E1408-R1434 VanDerWaalsContact CD-CZ 3.4Å; E1408-R1434 VanDerWaalsContact CD-NH2 3.29Å; E1408-R1434 IonicContact OE1-CZ 3.7Å; E1408-R1434 IonicContact OE1-NH1 3.44Å; E1408-R1434 PolarHBondContact OE1-NH1 3.45Å; E1408-R1434 IonicContact OE1-NH2 2.67Å; E1408-R1434 PolarHBondContact OE1-NH2 3.16Å; E1408-R1434 IonicContact OE2-CZ 2.98Å; E1408-R1434 IonicContact OE2-NH2 3.88Å; E1408-R1434 PolarHBondContact OE2-NH2 3.48Å; S1414-R1434 WeakPolarHBondContact O-CD 3.33Å; F1415-R1434 HydrophobicContact CD1-CG 3.94Å; A1428-R1434 HydrophobicContact CB-CB 3.89Å; S1430-R1434 PolarHBondContact O-N 2.86Å; S1430-R1434 VanDerWaalsContact O-N 3.08Å; D1431-R1434 CarbonylContact O-C 3.52Å; D1431-R1434 WeakPolarHBondContact O-CA 3.49Å; D1431-R1434 WeakPolarHBondContact O-CB 3.41Å; D1431-R1434 PolarHBondContact O-N 3.12Å; R1434-R1436 VanDerWaalsContact C-N 3.28Å; R1434-R1436 PolarHBondContact O-N 2.97Å; R1434-W1437 WeakPolarHBondContact O-CB 3.34Å; R1434-W1437 PolarHBondContact O-N 3.46Å; R1434-L1438 HydrophobicContact CG-CD1 3.99Å; R1434-L1438 HydrophobicContact CG-CG 4.5Å; R1434-L1438 PolarHBondContact O-N 3.03Å |
| 1435 | D | 93.2 | Very high | 93.9 | Very high | 66 Ų | 66 | 35.3 Ų | 35.3 | 35% | 0.353 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.2 | -40.1 | -175.7 | -55.5 | -18.9 | 0 | 0 | 0 | 110.4 | D1431 L1438 E1439 | D1431-D1435 WeakPolarHBondContact O-CB 3.26Å; D1431-D1435 PolarHBondContact O-N 2.81Å; D1435-L1438 PolarHBondContact O-N 3.45Å; D1435-E1439 VanDerWaalsContact O-CB 3.24Å; D1435-E1439 WeakPolarHBondContact O-CB 3.45Å; D1435-E1439 PolarHBondContact O-N 3.18Å |
| 1436 | R | 93.7 | Very high | 93.9 | Very high | 89 Ų | 89 | 39.5 Ų | 39.5 | 34% | 0.336 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.5 | -35.6 | 173.6 | -75.2 | -59.9 | -163.8 | -169.5 | 3.6 | 114 | W1432 Q1433 R1434 E1439 D1440 | W1432-R1436 HydrophobicContact CH2-CG 4.34Å; W1432-R1436 HydrophobicContact CZ2-CG 4.1Å; W1432-R1436 VanDerWaalsContact O-CG 3.26Å; W1432-R1436 WeakPolarHBondContact O-CG 3.48Å; W1432-R1436 PolarHBondContact O-N 3.04Å; Q1433-R1436 PolarHBondContact O-N 3.42Å; R1434-R1436 VanDerWaalsContact C-N 3.28Å; R1434-R1436 PolarHBondContact O-N 2.97Å; R1436-E1439 WeakPolarHBondContact CD-OE2 3.43Å; R1436-E1439 IonicContact CZ-OE2 3.8Å; R1436-E1439 IonicContact NH1-OE1 3.87Å; R1436-E1439 IonicContact NH1-OE2 3.59Å; R1436-E1439 PolarHBondContact NH1-OE2 2.93Å; R1436-D1440 WeakPolarHBondContact O-CB 3.42Å; R1436-D1440 PolarHBondContact O-N 3.29Å; R1436-D1440 VanDerWaalsContact O-N 3.12Å |
| 1437 | W | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.7 | -45.1 | 172.8 | -85.7 | 108.9 | 0 | 0 | 0 | 111.5 | R1356 L1360 F1373 L1375 L1380 F1415 Q1433 R1434 I1441 T1507 | R1356-W1437 HydrophobicContact CB-CH2 4.37Å; R1356-W1437 HydrophobicContact CB-CZ3 4.28Å; R1356-W1437 HydrophobicContact CG-CD2 4.39Å; R1356-W1437 HydrophobicContact CG-CE3 4.35Å; R1356-W1437 HydrophobicContact CG-CH2 3.91Å; R1356-W1437 HydrophobicContact CG-CZ2 3.95Å; R1356-W1437 HydrophobicContact CG-CZ3 4.12Å; L1360-W1437 HydrophobicContact CD1-CD2 3.94Å; L1360-W1437 HydrophobicContact CD1-CG 4.08Å; L1360-W1437 HydrophobicContact CD1-CZ2 4.21Å; L1360-W1437 HydrophobicContact CG-CZ2 4.48Å; F1373-W1437 HydrophobicContact CB-CH2 3.58Å; F1373-W1437 HydrophobicContact CB-CZ2 3.99Å; F1373-W1437 HydrophobicContact CB-CZ3 4.21Å; L1375-W1437 HydrophobicContact CB-CZ3 3.93Å; L1380-W1437 HydrophobicContact CD1-CZ3 4.49Å; F1415-W1437 HydrophobicContact CE1-CB 4.36Å; F1415-W1437 HydrophobicContact CZ-CB 3.96Å; Q1433-W1437 VanDerWaalsContact O-CD1 3.23Å; Q1433-W1437 PolarHBondContact O-N 3.29Å; R1434-W1437 WeakPolarHBondContact O-CB 3.34Å; R1434-W1437 PolarHBondContact O-N 3.46Å; W1437-I1441 HydrophobicContact CB-CD1 4.45Å; W1437-I1441 HydrophobicContact CE3-CD1 3.97Å; W1437-I1441 HydrophobicContact CE3-CG1 4.22Å; W1437-I1441 VanDerWaalsContact O-CB 3.28Å; W1437-I1441 WeakPolarHBondContact O-CB 3.43Å; W1437-I1441 WeakPolarHBondContact O-CD1 3.49Å; W1437-I1441 WeakPolarHBondContact O-CG1 3.48Å; W1437-I1441 PolarHBondContact O-N 3.31Å; W1437-T1507 VanDerWaalsContact NE1-CG2 3.26Å |
| 1438 | L | 95.1 | Very high | 93.4 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -49.2 | 175 | -74.9 | 172.2 | 0 | 0 | 0 | 111.3 | V1406 E1408 F1415 R1434 D1435 D1440 I1441 S1442 | V1406-L1438 HydrophobicContact CB-CD2 3.97Å; V1406-L1438 HydrophobicContact CG2-CD2 3.97Å; E1408-L1438 HydrophobicContact CB-CD1 4.13Å; E1408-L1438 HydrophobicContact CG-CD1 4.47Å; F1415-L1438 HydrophobicContact CB-CD1 4.32Å; F1415-L1438 HydrophobicContact CB-CD2 3.91Å; F1415-L1438 HydrophobicContact CB-CG 4.31Å; F1415-L1438 HydrophobicContact CD2-CD2 3.74Å; F1415-L1438 HydrophobicContact CD2-CG 4.36Å; F1415-L1438 HydrophobicContact CE2-CD2 4.49Å; F1415-L1438 HydrophobicContact CG-CD2 4.01Å; F1415-L1438 HydrophobicContact CG-CG 4.31Å; R1434-L1438 HydrophobicContact CG-CD1 3.99Å; R1434-L1438 HydrophobicContact CG-CG 4.5Å; R1434-L1438 PolarHBondContact O-N 3.03Å; D1435-L1438 PolarHBondContact O-N 3.45Å; L1438-D1440 PolarHBondContact O-N 3.05Å; L1438-I1441 PolarHBondContact O-N 3.09Å; L1438-S1442 VanDerWaalsContact O-CB 3.27Å; L1438-S1442 WeakPolarHBondContact O-CB 3.48Å; L1438-S1442 PolarHBondContact O-N 2.71Å; L1438-S1442 PolarHBondContact O-OG 2.97Å |
| 1439 | E | 94.9 | Very high | 93 | Very high | 77 Ų | 77 | 46.7 Ų | 46.7 | 36% | 0.36 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58 | -48.3 | 179.5 | -164.7 | -155.6 | 154.2 | 0 | 0 | 112.3 | D1435 R1436 R1443 | D1435-E1439 VanDerWaalsContact O-CB 3.24Å; D1435-E1439 WeakPolarHBondContact O-CB 3.45Å; D1435-E1439 PolarHBondContact O-N 3.18Å; R1436-E1439 WeakPolarHBondContact CD-OE2 3.43Å; R1436-E1439 IonicContact CZ-OE2 3.8Å; R1436-E1439 IonicContact NH1-OE1 3.87Å; R1436-E1439 IonicContact NH1-OE2 3.59Å; R1436-E1439 PolarHBondContact NH1-OE2 2.93Å; E1439-R1443 WeakPolarHBondContact O-CB 3.4Å; E1439-R1443 WeakPolarHBondContact O-CG 3.44Å; E1439-R1443 PolarHBondContact O-N 3.43Å; E1439-R1443 VanDerWaalsContact O-N 3.08Å; E1439-R1443 IonicContact OE1-CZ 3.7Å; E1439-R1443 IonicContact OE1-NE 2.67Å; E1439-R1443 PolarHBondContact OE1-NE 2.9Å; E1439-R1443 IonicContact OE1-NH2 2.72Å; E1439-R1443 PolarHBondContact OE1-NH2 2.94Å; E1439-R1443 IonicContact OE2-NH2 3.81Å |
| 1440 | D | 96.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.059 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72 | -41.5 | 180 | -76.9 | -31 | 0 | 0 | 0 | 112.8 | I1355 R1356 L1375 R1436 L1438 R1443 A1444 | I1355-D1440 HydrophobicContact CG2-CB 4.04Å; R1356-D1440 IonicContact CZ-OD2 3.84Å; R1356-D1440 IonicContact NE-OD2 3.18Å; R1356-D1440 PolarHBondContact NE-OD2 2.94Å; R1356-D1440 IonicContact NH2-OD2 2.86Å; R1356-D1440 PolarHBondContact NH2-OD2 2.97Å; L1375-D1440 HydrophobicContact CD2-CB 3.89Å; R1436-D1440 WeakPolarHBondContact O-CB 3.42Å; R1436-D1440 PolarHBondContact O-N 3.29Å; R1436-D1440 VanDerWaalsContact O-N 3.12Å; L1438-D1440 PolarHBondContact O-N 3.05Å; D1440-R1443 PolarHBondContact O-N 3.39Å; D1440-R1443 IonicContact OD1-CZ 2.74Å; D1440-R1443 IonicContact OD1-NH1 3.85Å; D1440-R1443 PolarHBondContact OD1-NH1 2.67Å; D1440-R1443 IonicContact OD1-NH2 3.52Å; D1440-R1443 PolarHBondContact OD1-NH2 3.02Å; D1440-A1444 VanDerWaalsContact O-CB 3.26Å; D1440-A1444 WeakPolarHBondContact O-CB 3.45Å; D1440-A1444 PolarHBondContact O-N 3.25Å |
| 1441 | I | 96.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 177.4 | -66.5 | 165.8 | 0 | 0 | 0 | 110.1 | L1375 L1404 V1406 F1415 I1417 W1437 L1438 R1443 A1444 I1445 | L1375-I1441 HydrophobicContact CD1-CG1 4.25Å; L1375-I1441 HydrophobicContact CD2-CB 4.49Å; L1375-I1441 HydrophobicContact CD2-CG1 3.88Å; L1404-I1441 HydrophobicContact CD2-CG2 3.76Å; V1406-I1441 HydrophobicContact CB-CG2 4.48Å; V1406-I1441 HydrophobicContact CG1-CB 4.43Å; V1406-I1441 HydrophobicContact CG1-CD1 4.39Å; V1406-I1441 HydrophobicContact CG1-CG2 3.6Å; V1406-I1441 HydrophobicContact CG2-CB 4.5Å; V1406-I1441 HydrophobicContact CG2-CG2 4.02Å; F1415-I1441 HydrophobicContact CE2-CD1 3.98Å; F1415-I1441 HydrophobicContact CZ-CD1 4.42Å; I1417-I1441 HydrophobicContact CD1-CD1 4.49Å; W1437-I1441 HydrophobicContact CB-CD1 4.45Å; W1437-I1441 HydrophobicContact CE3-CD1 3.97Å; W1437-I1441 HydrophobicContact CE3-CG1 4.22Å; W1437-I1441 VanDerWaalsContact O-CB 3.28Å; W1437-I1441 WeakPolarHBondContact O-CB 3.43Å; W1437-I1441 WeakPolarHBondContact O-CD1 3.49Å; W1437-I1441 WeakPolarHBondContact O-CG1 3.48Å; W1437-I1441 PolarHBondContact O-N 3.31Å; L1438-I1441 PolarHBondContact O-N 3.09Å; I1441-R1443 PolarHBondContact O-N 2.82Å; I1441-A1444 PolarHBondContact O-N 3.41Å; I1441-I1445 HydrophobicContact CG2-CD1 3.6Å; I1441-I1445 HydrophobicContact CG2-CG1 4.19Å; I1441-I1445 VanDerWaalsContact O-CG1 3.29Å; I1441-I1445 WeakPolarHBondContact O-CG1 3.4Å; I1441-I1445 PolarHBondContact O-N 3.45Å |
| 1442 | S | 95.4 | Very high | 90.2 | Very high | 50 Ų | 50 | 54.2 Ų | 54.2 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 177.7 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | L1438 A1444 I1445 L1446 | L1438-S1442 VanDerWaalsContact O-CB 3.27Å; L1438-S1442 WeakPolarHBondContact O-CB 3.48Å; L1438-S1442 PolarHBondContact O-N 2.71Å; L1438-S1442 PolarHBondContact O-OG 2.97Å; S1442-A1444 VanDerWaalsContact C-N 3.32Å; S1442-A1444 PolarHBondContact O-N 3.07Å; S1442-I1445 PolarHBondContact O-N 3.36Å; S1442-L1446 VanDerWaalsContact O-CG 3.32Å; S1442-L1446 WeakPolarHBondContact O-CG 3.42Å; S1442-L1446 PolarHBondContact O-N 3.13Å; S1442-L1446 VanDerWaalsContact O-N 3.09Å |
| 1443 | R | 95.2 | Very high | 88.2 | Confident | 115 Ų | 115 | 56 Ų | 56 | 43% | 0.434 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 174.5 | -76.5 | -165.8 | -88 | 82.9 | -5.2 | 112.4 | E1439 D1440 I1441 A1447 | E1439-R1443 WeakPolarHBondContact O-CB 3.4Å; E1439-R1443 WeakPolarHBondContact O-CG 3.44Å; E1439-R1443 PolarHBondContact O-N 3.43Å; E1439-R1443 VanDerWaalsContact O-N 3.08Å; E1439-R1443 IonicContact OE1-CZ 3.7Å; E1439-R1443 IonicContact OE1-NE 2.67Å; E1439-R1443 PolarHBondContact OE1-NE 2.9Å; E1439-R1443 IonicContact OE1-NH2 2.72Å; E1439-R1443 PolarHBondContact OE1-NH2 2.94Å; E1439-R1443 IonicContact OE2-NH2 3.81Å; D1440-R1443 PolarHBondContact O-N 3.39Å; D1440-R1443 IonicContact OD1-CZ 2.74Å; D1440-R1443 IonicContact OD1-NH1 3.85Å; D1440-R1443 PolarHBondContact OD1-NH1 2.67Å; D1440-R1443 IonicContact OD1-NH2 3.52Å; D1440-R1443 PolarHBondContact OD1-NH2 3.02Å; I1441-R1443 PolarHBondContact O-N 2.82Å; R1443-A1447 WeakPolarHBondContact O-CB 3.3Å; R1443-A1447 PolarHBondContact O-N 3.06Å |
| 1444 | A | 95.7 | Very high | 85.5 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.1 | -42.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1355 L1375 L1401 D1440 I1441 S1442 A1447 A1448 | I1355-A1444 HydrophobicContact CD1-CB 3.58Å; L1375-A1444 HydrophobicContact CD1-CB 4.1Å; L1375-A1444 HydrophobicContact CD2-CB 4.16Å; L1375-A1444 HydrophobicContact CG-CB 4.39Å; L1401-A1444 HydrophobicContact CD1-CB 3.57Å; D1440-A1444 VanDerWaalsContact O-CB 3.26Å; D1440-A1444 WeakPolarHBondContact O-CB 3.45Å; D1440-A1444 PolarHBondContact O-N 3.25Å; I1441-A1444 PolarHBondContact O-N 3.41Å; S1442-A1444 VanDerWaalsContact C-N 3.32Å; S1442-A1444 PolarHBondContact O-N 3.07Å; A1444-A1447 PolarHBondContact O-N 3.31Å; A1444-A1448 WeakPolarHBondContact O-CB 3.38Å; A1444-A1448 PolarHBondContact O-N 3.17Å |
| 1445 | I | 94 | Very high | 82.6 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 7% | 0.072 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 174.4 | -68.1 | 162.6 | 0 | 0 | 0 | 110.8 | L1401 L1404 V1406 I1441 S1442 A1448 K1449 | L1401-I1445 HydrophobicContact CD2-CG1 4.32Å; L1404-I1445 HydrophobicContact CB-CD1 4.05Å; L1404-I1445 HydrophobicContact CB-CG1 4.09Å; L1404-I1445 HydrophobicContact CD2-CD1 4.11Å; L1404-I1445 HydrophobicContact CD2-CG1 4.49Å; V1406-I1445 HydrophobicContact CG2-CD1 4.44Å; I1441-I1445 HydrophobicContact CG2-CD1 3.6Å; I1441-I1445 HydrophobicContact CG2-CG1 4.19Å; I1441-I1445 VanDerWaalsContact O-CG1 3.29Å; I1441-I1445 WeakPolarHBondContact O-CG1 3.4Å; I1441-I1445 PolarHBondContact O-N 3.45Å; S1442-I1445 PolarHBondContact O-N 3.36Å; I1445-A1448 PolarHBondContact O-N 3.46Å; I1445-K1449 HydrophobicContact CG2-CD 3.84Å; I1445-K1449 WeakPolarHBondContact O-CB 3.44Å; I1445-K1449 WeakPolarHBondContact O-CG 3.32Å; I1445-K1449 PolarHBondContact O-N 3.02Å |
| 1446 | L | 93.3 | Very high | 79.6 | Confident | 116 Ų | 116 | 63.6 Ų | 63.6 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.7 | -48.1 | 177.5 | -71.1 | 169.8 | 0 | 0 | 0 | 110.9 | S1442 A1448 K1449 T1450 | S1442-L1446 VanDerWaalsContact O-CG 3.32Å; S1442-L1446 WeakPolarHBondContact O-CG 3.42Å; S1442-L1446 PolarHBondContact O-N 3.13Å; S1442-L1446 VanDerWaalsContact O-N 3.09Å; L1446-A1448 PolarHBondContact O-N 3.01Å; L1446-K1449 PolarHBondContact O-N 2.77Å; L1446-T1450 WeakPolarHBondContact O-CG2 3.47Å; L1446-T1450 PolarHBondContact O-N 2.95Å; L1446-T1450 PolarHBondContact O-OG1 3.28Å |
| 1447 | A | 92.2 | Very high | 76.3 | Confident | 46 Ų | 46 | 63.4 Ų | 63.4 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1443 A1444 T1450 R1451 | R1443-A1447 WeakPolarHBondContact O-CB 3.3Å; R1443-A1447 PolarHBondContact O-N 3.06Å; A1444-A1447 PolarHBondContact O-N 3.31Å; A1447-T1450 WeakPolarHBondContact CA-OG1 3.43Å; A1447-T1450 PolarHBondContact O-N 2.85Å; A1447-T1450 PolarHBondContact O-OG1 2.89Å; A1447-R1451 PolarHBondContact O-N 3.04Å |
| 1448 | A | 89.5 | Confident | 73.1 | Confident | 10 Ų | 10 | 68.5 Ų | 68.5 | 8% | 0.083 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1401 A1444 I1445 L1446 T1450 R1451 | L1401-A1448 HydrophobicContact CB-CB 3.83Å; A1444-A1448 WeakPolarHBondContact O-CB 3.38Å; A1444-A1448 PolarHBondContact O-N 3.17Å; I1445-A1448 PolarHBondContact O-N 3.46Å; L1446-A1448 PolarHBondContact O-N 3.01Å; A1448-T1450 VanDerWaalsContact C-N 3.32Å; A1448-T1450 PolarHBondContact O-N 2.9Å; A1448-R1451 PolarHBondContact O-N 2.93Å |
| 1449 | K | 86.4 | Confident | 69.8 | Low | 112 Ų | 112 | 75.5 Ų | 75.5 | 49% | 0.487 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.9 | -23.3 | 177.4 | -72.5 | 175.7 | 179.3 | 174.2 | 0 | 113.6 | Q1402 I1445 L1446 | Q1402-K1449 WeakPolarHBondContact O-CE 3.29Å; Q1402-K1449 PolarHBondContact O-NZ 3.34Å; I1445-K1449 HydrophobicContact CG2-CD 3.84Å; I1445-K1449 WeakPolarHBondContact O-CB 3.44Å; I1445-K1449 WeakPolarHBondContact O-CG 3.32Å; I1445-K1449 PolarHBondContact O-N 3.02Å; L1446-K1449 PolarHBondContact O-N 2.77Å |
| 1450 | T | 84.3 | Confident | 66.6 | Low | 114 Ų | 114 | 78.1 Ų | 78.1 | 70% | 0.699 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -86.6 | -6.9 | 174.3 | 54.8 | 0 | 0 | 0 | 0 | 114.9 | L1446 A1447 A1448 | L1446-T1450 WeakPolarHBondContact O-CG2 3.47Å; L1446-T1450 PolarHBondContact O-N 2.95Å; L1446-T1450 PolarHBondContact O-OG1 3.28Å; A1447-T1450 WeakPolarHBondContact CA-OG1 3.43Å; A1447-T1450 PolarHBondContact O-N 2.85Å; A1447-T1450 PolarHBondContact O-OG1 2.89Å; A1448-T1450 VanDerWaalsContact C-N 3.32Å; A1448-T1450 PolarHBondContact O-N 2.9Å |
| 1451 | R | 71.1 | Confident | 63.3 | Low | 104 Ų | 104 | 85.3 Ų | 85.3 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -75.2 | 128.7 | 174.4 | -74.1 | 179.1 | 177.9 | -166.7 | -2.9 | 109.5 | N1351 A1447 A1448 S1453 | N1351-R1451 PolarHBondContact O-NH1 3.14Å; A1447-R1451 PolarHBondContact O-N 3.04Å; A1448-R1451 PolarHBondContact O-N 2.93Å; R1451-S1453 PolarHBondContact O-N 3.17Å |
| 1452 | P | 57.5 | Low | 59.8 | Low | 86 Ų | 86 | 90.2 Ų | 90.2 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | trans | -63.5 | 132.5 | 176.9 | 26.3 | -33.6 | 0 | 0 | 0 | 110.1 | S1454 S1455 | P1452-S1454 PolarHBondContact O-N 3.15Å; P1452-S1454 VanDerWaalsContact O-N 3.11Å; P1452-S1455 WeakPolarHBondContact O-CB 3.4Å; P1452-S1455 PolarHBondContact O-N 3Å; P1452-S1455 PolarHBondContact O-OG 3.47Å | ||
| 1453 | S | 44.6 | Very low | 56.6 | Low | 108 Ų | 108 | 95.1 Ų | 95.1 | 76% | 0.755 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -62.6 | -19.7 | -172.4 | 37.7 | 0 | 0 | 0 | 0 | 114.4 | R1451 S1455 | R1451-S1453 PolarHBondContact O-N 3.17Å; S1453-S1455 PolarHBondContact O-N 3.26Å |
| 1454 | S | 36.4 | Very low | 53.2 | Low | 78 Ų | 78 | 96.8 Ų | 96.8 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -62.5 | -15.8 | 170.5 | 50.7 | 0 | 0 | 0 | 0 | 114.4 | P1452 T1456 | P1452-S1454 PolarHBondContact O-N 3.15Å; P1452-S1454 VanDerWaalsContact O-N 3.11Å; S1454-T1456 VanDerWaalsContact C-N 3.32Å; S1454-T1456 PolarHBondContact O-N 3.4Å |
| 1455 | S | 32.6 | Very low | 49.9 | Very low | 64 Ų | 64 | 102.9 Ų | 102.9 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -84.3 | 6.4 | -176.8 | 64.2 | 0 | 0 | 0 | 0 | 115.6 | P1452 S1453 | P1452-S1455 WeakPolarHBondContact O-CB 3.4Å; P1452-S1455 PolarHBondContact O-N 3Å; P1452-S1455 PolarHBondContact O-OG 3.47Å; S1453-S1455 PolarHBondContact O-N 3.26Å |
| 1456 | T | 30.5 | Very low | 46.8 | Very low | 114 Ų | 114 | 109.2 Ų | 109.2 | 70% | 0.699 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | -13.1 | -175.1 | -45.6 | 0 | 0 | 0 | 0 | 114.7 | S1454 | S1454-T1456 VanDerWaalsContact C-N 3.32Å; S1454-T1456 PolarHBondContact O-N 3.4Å |
| 1457 | S | 25.5 | Very low | 43.8 | Very low | 86 Ų | 86 | 111.7 Ų | 111.7 | 60% | 0.601 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | -4.5 | -179.7 | 57.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1458 | I | 27.7 | Very low | 40.6 | Very low | 106 Ų | 106 | 117.8 Ų | 117.8 | 54% | 0.544 | 64% | 0.643 | S | S | . | * | trans | -126.1 | 87 | -179.4 | -50.9 | 179.5 | 0 | 0 | 0 | 111.3 | ||||
| 1459 | M | 26.8 | Very low | 37.7 | Very low | 169 Ų | 169 | 123.7 Ų | 123.7 | 83% | 0.833 | 67% | 0.673 | S | S | * | * | trans | -106 | 100.4 | 136.1 | -82.6 | -172.7 | 167.8 | 0 | 0 | 106.6 | E1461 | M1459-E1461 PolarHBondContact O-N 3.37Å; M1459-E1461 VanDerWaalsContact O-N 3.14Å | ||
| 1460 | N | 28 | Very low | 35 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | trans | -64.5 | 113.6 | 173.3 | -81.3 | -14.4 | 0 | 0 | 0 | 109.1 | S1462 | N1460-S1462 PolarHBondContact O-N 2.89Š| ||
| 1461 | E | 25.4 | Very low | 32.3 | Very low | 163 Ų | 163 | 125.7 Ų | 125.7 | 76% | 0.762 | 69% | 0.689 | S | S | * | * | trans | -68.1 | 74.9 | 153.8 | -72.4 | -175.9 | 124.1 | 0 | 0 | 108.4 | M1459 I1463 | M1459-E1461 PolarHBondContact O-N 3.37Å; M1459-E1461 VanDerWaalsContact O-N 3.14Å; E1461-I1463 PolarHBondContact O-N 3.41Å | ||
| 1462 | S | 24.7 | Very low | 30 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | trans | -81.7 | 51 | 177.6 | 67 | 0 | 0 | 0 | 0 | 112.2 | N1460 | N1460-S1462 PolarHBondContact O-N 2.89Š| ||
| 1463 | I | 26.7 | Very low | 28.6 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | -123.1 | 73.4 | 152.4 | -54.9 | -176.6 | 0 | 0 | 0 | 105.9 | E1461 | E1461-I1463 PolarHBondContact O-N 3.41Š| ||
| 1464 | M | 25.2 | Very low | 27.6 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | trans | -92.5 | 145.8 | 175.7 | -97.4 | -72.4 | -169 | 0 | 0 | 110.5 | ||||
| 1465 | N | 25.4 | Very low | 27.1 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | 70.9 | 127.2 | 172 | -46.6 | -33 | 0 | 0 | 0 | 114.1 | ||||
| 1466 | N | 28.4 | Very low | 26.8 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | S | Bend | cis | -137.1 | 158.9 | 48.5 | -78.4 | -44.8 | 0 | 0 | 0 | 116.1 | ||
| 1467 | M | 30.6 | Very low | 26.6 | Very low | 169 Ų | 169 | 136.2 Ų | 136.2 | 83% | 0.833 | 75% | 0.75 | S | S | * | * | trans | 73.5 | 82.1 | 161.5 | -120.6 | 67.6 | -171.1 | 0 | 0 | 118 | ||||
| 1468 | E | 24.8 | Very low | 26.6 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | -62 | 139.9 | 139.2 | -61.8 | -179.2 | 116.2 | 0 | 0 | 109.9 | ||||
| 1469 | N | 29.8 | Very low | 26.4 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | -179.9 | 139.8 | 122.5 | -98 | -59.2 | 0 | 0 | 0 | 112 | |||||
| 1470 | N | 28.7 | Very low | 26.3 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | 63.5 | 136.2 | 166.6 | -63 | -18.6 | 0 | 0 | 0 | 118.2 | ||||
| 1471 | T | 27.3 | Very low | 26 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | cis | -150.8 | 153.1 | -12.7 | 3.3 | 0 | 0 | 0 | 0 | 109.2 | T1473 | T1471-T1473 PolarHBondContact O-N 3.35Š| ||
| 1472 | G | 24.7 | Very low | 26 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | -67.3 | 129.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1473 | T | 26.4 | Very low | 26.1 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -93.3 | 127.7 | 153 | -65.5 | 0 | 0 | 0 | 0 | 108.2 | T1471 M1475 | T1471-T1473 PolarHBondContact O-N 3.35Å; T1473-M1475 PolarHBondContact O-N 2.94Å | ||
| 1474 | S | 23.7 | Very low | 25.9 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -65.3 | 104 | 177 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | K1476 | S1474-K1476 VanDerWaalsContact C-N 3.27Å; S1474-K1476 PolarHBondContact O-N 3.38Å | ||
| 1475 | M | 27.2 | Very low | 26 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | trans | -67.1 | 92.7 | 164.7 | -82.9 | -65.8 | -73.1 | 0 | 0 | 108.1 | T1473 T1477 | T1473-M1475 PolarHBondContact O-N 2.94Å; M1475-T1477 PolarHBondContact O-N 3.24Å | ||
| 1476 | K | 25.5 | Very low | 26 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | -44.7 | 137.8 | 165.7 | -70.1 | 177.2 | 177.6 | 176.1 | 0 | 108.9 | S1474 L1478 | S1474-K1476 VanDerWaalsContact C-N 3.27Å; S1474-K1476 PolarHBondContact O-N 3.38Å; K1476-L1478 PolarHBondContact O-N 3.1Å | ||
| 1477 | T | 25.6 | Very low | 25.7 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -49.3 | 110.2 | 165 | -13.9 | 0 | 0 | 0 | 0 | 108.2 | M1475 N1479 | M1475-T1477 PolarHBondContact O-N 3.24Å; T1477-N1479 PolarHBondContact O-N 3.22Å | ||
| 1478 | L | 25.9 | Very low | 25.6 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | trans | -73.1 | 78 | 168.7 | -81.7 | 171.1 | 0 | 0 | 0 | 107.4 | K1476 C1480 | K1476-L1478 PolarHBondContact O-N 3.1Å; L1478-C1480 PolarHBondContact O-N 3.33Å; L1478-C1480 VanDerWaalsContact O-N 3.08Å | ||
| 1479 | N | 23.3 | Very low | 25.9 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 60% | 0.604 | 77% | 0.767 | S | S | * | * | trans | -47 | 118.1 | 157.2 | -82.6 | -3 | 0 | 0 | 0 | 106.7 | T1477 N1481 | T1477-N1479 PolarHBondContact O-N 3.22Å; N1479-N1481 PolarHBondContact O-N 2.77Å | ||
| 1480 | C | 24.6 | Very low | 26 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 91% | 0.912 | 75% | 0.747 | S | S | * | * | trans | -76.1 | 59.2 | 174.5 | -162.4 | 0 | 0 | 0 | 0 | 109.4 | L1478 T1482 | L1478-C1480 PolarHBondContact O-N 3.33Å; L1478-C1480 VanDerWaalsContact O-N 3.08Å; C1480-T1482 PolarHBondContact O-N 3.23Å | ||
| 1481 | N | 22.1 | Very low | 26.4 | Very low | 112 Ų | 112 | 131 Ų | 131 | 60% | 0.599 | 74% | 0.739 | S | S | * | * | trans | -80.5 | 108.7 | 174.2 | -77.6 | 13.9 | 0 | 0 | 0 | 108 | N1479 F1483 | N1479-N1481 PolarHBondContact O-N 2.77Å; N1481-F1483 PolarHBondContact O-N 3.05Å | ||
| 1482 | T | 25.3 | Very low | 27.2 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | trans | 46.9 | 69.5 | 136 | -37.4 | 0 | 0 | 0 | 0 | 116.2 | C1480 E1484 | C1480-T1482 PolarHBondContact O-N 3.23Å; T1482-E1484 HydrophobicContact CG2-CG 4.02Å | ||
| 1483 | F | 26.5 | Very low | 28.5 | Very low | 186 Ų | 186 | 127 Ų | 127 | 82% | 0.816 | 69% | 0.688 | S | S | * | * | trans | -89.3 | 89.2 | 148.2 | -87 | -78.4 | 0 | 0 | 0 | 109.3 | N1481 T1485 | N1481-F1483 PolarHBondContact O-N 3.05Å; F1483-T1485 HydrophobicContact CB-CG2 4.42Å; F1483-T1485 HydrophobicContact CD1-CG2 4.36Å; F1483-T1485 PolarHBondContact O-N 3.11Å; F1483-T1485 VanDerWaalsContact O-N 3.08Å | ||
| 1484 | E | 24 | Very low | 30 | Very low | 182 Ų | 182 | 122.4 Ų | 122.4 | 85% | 0.85 | 66% | 0.663 | S | S | * | * | trans | -63.1 | 103.1 | 155.2 | -69 | -178.7 | 147.5 | 0 | 0 | 107 | T1482 | T1482-E1484 HydrophobicContact CG2-CG 4.02Š| ||
| 1485 | T | 26.2 | Very low | 32.1 | Very low | 115 Ų | 115 | 121.3 Ų | 121.3 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | trans | -124 | 146.5 | 171.5 | 41.1 | 0 | 0 | 0 | 0 | 109.1 | F1483 | F1483-T1485 HydrophobicContact CB-CG2 4.42Å; F1483-T1485 HydrophobicContact CD1-CG2 4.36Å; F1483-T1485 PolarHBondContact O-N 3.11Å; F1483-T1485 VanDerWaalsContact O-N 3.08Å | ||
| 1486 | D | 25 | Very low | 34.8 | Very low | 147 Ų | 147 | 114.5 Ų | 114.5 | 79% | 0.786 | 62% | 0.619 | S | S | * | * | trans | -57.4 | 149 | -151.8 | -75.9 | -74.3 | 0 | 0 | 0 | 116.5 | T1488 | D1486-T1488 PolarHBondContact O-N 3.29Š| ||
| 1487 | S | 23.7 | Very low | 37.8 | Very low | 120 Ų | 120 | 107.5 Ų | 107.5 | 84% | 0.839 | 59% | 0.592 | S | S | * | * | trans | -70.2 | 56.4 | -178 | 57.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 1488 | T | 28.4 | Very low | 40.9 | Very low | 112 Ų | 112 | 101.4 Ų | 101.4 | 69% | 0.687 | 56% | 0.555 | S | S | * | * | trans | -59.7 | 138.8 | 166.7 | 54.7 | 0 | 0 | 0 | 0 | 110.3 | D1486 M1490 | D1486-T1488 PolarHBondContact O-N 3.29Å; T1488-M1490 VanDerWaalsContact C-N 3.33Å; T1488-M1490 PolarHBondContact O-N 2.87Å | ||
| 1489 | Q | 29.9 | Very low | 44 | Very low | 186 Ų | 186 | 94.5 Ų | 94.5 | 87% | 0.869 | 52% | 0.518 | S | S | * | . | trans | -75.1 | 78.6 | -169.8 | -64.2 | -178.1 | 2 | 0 | 0 | 111.9 | L1491 | Q1489-L1491 PolarHBondContact O-N 3.43Å; Q1489-L1491 VanDerWaalsContact O-N 3.07Å | ||
| 1490 | M | 33 | Very low | 47.1 | Very low | 62 Ų | 62 | 89.9 Ų | 89.9 | 31% | 0.305 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 118.3 | 174.8 | -65.2 | -147.3 | 110.9 | 0 | 0 | 110.6 | K322 R1211 T1488 | K322-M1490 PolarHBondContact NZ-O 2.91Å; R1211-M1490 VanDerWaalsContact NH1-CE 3.3Å; R1211-M1490 PolarHBondContact NH1-SD 3.34Å; R1211-M1490 VanDerWaalsContact NH1-SD 3.36Å; T1488-M1490 VanDerWaalsContact C-N 3.33Å; T1488-M1490 PolarHBondContact O-N 2.87Å |
| 1491 | L | 36.2 | Very low | 50.4 | Low | 111 Ų | 111 | 83.4 Ų | 83.4 | 58% | 0.581 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 154.1 | 177.1 | -79.8 | 79.4 | 0 | 0 | 0 | 110.4 | A1215 Q1489 R1493 | A1215-L1491 HydrophobicContact CB-CB 3.74Å; A1215-L1491 HydrophobicContact CB-CD2 3.61Å; A1215-L1491 HydrophobicContact CB-CG 4.29Å; Q1489-L1491 PolarHBondContact O-N 3.43Å; Q1489-L1491 VanDerWaalsContact O-N 3.07Å; L1491-R1493 PolarHBondContact O-N 2.99Å |
| 1492 | Q | 43.5 | Very low | 53.8 | Low | 72 Ų | 72 | 80.1 Ų | 80.1 | 34% | 0.336 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 128 | 174.3 | -105.5 | 171.6 | -7.2 | 0 | 0 | 109.7 | K322 | K322-Q1492 HydrophobicContact CD-CB 3.99Å; K322-Q1492 HydrophobicContact CD-CG 3.76Å; K322-Q1492 HydrophobicContact CG-CG 4.22Å |
| 1493 | R | 53.3 | Low | 56.8 | Low | 52 Ų | 52 | 79.8 Ų | 79.8 | 20% | 0.196 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 154.5 | 164.7 | -76 | 176.1 | 153 | 165.4 | -3 | 110.3 | E1207 L1491 | E1207-R1493 IonicContact OE1-CZ 3.74Å; E1207-R1493 IonicContact OE1-NH2 3.23Å; E1207-R1493 PolarHBondContact OE1-NH2 3.48Å; L1491-R1493 PolarHBondContact O-N 2.99Å |
| 1494 | A | 56.7 | Low | 59.8 | Low | 33 Ų | 33 | 72.8 Ų | 72.8 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 138.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T1496 | A1494-T1496 PolarHBondContact O-N 3.27Å; A1494-T1496 VanDerWaalsContact O-N 3.1Å |
| 1495 | V | 69.1 | Low | 63.1 | Low | 83 Ų | 83 | 66 Ų | 66 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | trans | -69.7 | 108.6 | -176.2 | -178.3 | 0 | 0 | 0 | 0 | 110 | H1499 V1500 | V1495-H1499 HydrophobicContact CG1-CB 3.68Å; V1495-V1500 HydrophobicContact CG1-CG2 4.11Å | ||
| 1496 | T | 83.7 | Confident | 66.2 | Low | 14 Ų | 14 | 61.3 Ų | 61.3 | 9% | 0.086 | 33% | 0.33 | C | S | . | . | trans | -71 | 167.1 | -177.4 | 73.5 | 0 | 0 | 0 | 0 | 113 | E1287 D1291 A1494 V1498 H1499 V1500 | E1287-T1496 HydrophobicContact CG-CG2 4.22Å; E1287-T1496 WeakPolarHBondContact OE1-CB 3.49Å; D1291-T1496 WeakPolarHBondContact OD2-CB 3.44Å; D1291-T1496 VanDerWaalsContact OD2-CG2 3.3Å; D1291-T1496 WeakPolarHBondContact OD2-CG2 3.33Å; D1291-T1496 PolarHBondContact OD2-OG1 2.82Å; A1494-T1496 PolarHBondContact O-N 3.27Å; A1494-T1496 VanDerWaalsContact O-N 3.1Å; T1496-V1498 PolarHBondContact O-N 3.05Å; T1496-H1499 PolarHBondContact N-ND1 3.27Å; T1496-H1499 PolarHBondContact O-N 3.08Å; T1496-H1499 PolarHBondContact OG1-CE1 3.47Å; T1496-H1499 VanDerWaalsContact OG1-CE1 3.29Å; T1496-H1499 PolarHBondContact OG1-ND1 3.03Å; T1496-V1500 PolarHBondContact O-N 2.87Å | ||
| 1497 | S | 88.7 | Confident | 69.4 | Low | 28 Ų | 28 | 54.3 Ų | 54.3 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -35.9 | 176.1 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | K1284 E1287 E1357 H1499 V1500 C1501 | K1284-S1497 PolarHBondContact NZ-OG 3.42Å; E1287-S1497 VanDerWaalsContact CD-OG 3.27Å; E1287-S1497 PolarHBondContact OE1-N 3.47Å; E1287-S1497 VanDerWaalsContact OE1-N 3.17Å; E1287-S1497 PolarHBondContact OE1-OG 3.48Å; E1287-S1497 PolarHBondContact OE2-OG 3.14Å; E1357-S1497 WeakPolarHBondContact OE1-CB 3.41Å; E1357-S1497 PolarHBondContact OE1-OG 2.68Å; S1497-H1499 PolarHBondContact O-N 3.11Å; S1497-V1500 PolarHBondContact O-N 3.45Å; S1497-C1501 PolarHBondContact O-N 3.15Å; S1497-C1501 PolarHBondContact O-SG 2.97Å |
| 1498 | V | 90.6 | Very high | 72.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -54.2 | -48.9 | 174.3 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | M1372 F1374 F1393 T1496 V1500 C1501 W1502 | M1372-V1498 HydrophobicContact CE-CG1 3.92Å; M1372-V1498 HydrophobicContact CG-CG1 4.44Å; F1374-V1498 HydrophobicContact CE1-CG1 3.9Å; F1374-V1498 HydrophobicContact CE1-CG2 4.3Å; F1374-V1498 HydrophobicContact CZ-CG1 3.69Å; F1393-V1498 HydrophobicContact CD2-CG1 3.95Å; F1393-V1498 HydrophobicContact CE2-CB 4.42Å; F1393-V1498 HydrophobicContact CE2-CG1 3.55Å; F1393-V1498 HydrophobicContact CZ-CG1 4.13Å; T1496-V1498 PolarHBondContact O-N 3.05Å; V1498-V1500 PolarHBondContact O-N 2.83Å; V1498-C1501 WeakPolarHBondContact O-CB 3.3Å; V1498-C1501 PolarHBondContact O-N 3.35Å; V1498-W1502 PolarHBondContact O-N 3.08Å |
| 1499 | H | 90.3 | Very high | 75.8 | Confident | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.3 | -39.8 | -178.6 | -64.9 | 104.1 | 0 | 0 | 0 | 112.8 | D1291 L1391 F1393 V1495 T1496 S1497 W1502 H1503 | D1291-H1499 IonicContact OD1-CE1 2.72Å; D1291-H1499 IonicContact OD2-CE1 2.65Å; D1291-H1499 PolarHBondContact OD2-CE1 3.06Å; D1291-H1499 IonicContact OD2-ND1 3.98Å; L1391-H1499 WeakPolarHBondContact CB-NE2 3.23Å; L1391-H1499 PolarHBondContact O-CE1 3.41Å; L1391-H1499 PolarHBondContact O-NE2 3.2Å; F1393-H1499 AromaticContact CE2-CD2 3.71Å; F1393-H1499 AromaticContact CE2-NE2 3.58Å; V1495-H1499 HydrophobicContact CG1-CB 3.68Å; T1496-H1499 PolarHBondContact N-ND1 3.27Å; T1496-H1499 PolarHBondContact O-N 3.08Å; T1496-H1499 PolarHBondContact OG1-CE1 3.47Å; T1496-H1499 VanDerWaalsContact OG1-CE1 3.29Å; T1496-H1499 PolarHBondContact OG1-ND1 3.03Å; S1497-H1499 PolarHBondContact O-N 3.11Å; H1499-W1502 PolarHBondContact O-N 3.04Å; H1499-H1503 WeakPolarHBondContact O-CB 3.42Å; H1499-H1503 PolarHBondContact O-CD2 3.02Å; H1499-H1503 PolarHBondContact O-N 3.34Å |
| 1500 | V | 89.6 | Confident | 78.9 | Confident | 15 Ų | 15 | 36.2 Ų | 36.2 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.2 | -38.4 | 178.4 | -172.8 | 0 | 0 | 0 | 0 | 110.5 | V1495 T1496 S1497 V1498 R1504 P1563 L1565 | V1495-V1500 HydrophobicContact CG1-CG2 4.11Å; T1496-V1500 PolarHBondContact O-N 2.87Å; S1497-V1500 PolarHBondContact O-N 3.45Å; V1498-V1500 PolarHBondContact O-N 2.83Å; V1500-R1504 HydrophobicContact CG1-CG 4.44Å; V1500-R1504 WeakPolarHBondContact O-CB 3.4Å; V1500-R1504 WeakPolarHBondContact O-CG 3.5Å; V1500-R1504 PolarHBondContact O-N 3.47Å; V1500-P1563 HydrophobicContact CG1-CB 3.85Å; V1500-P1563 HydrophobicContact CG2-CB 3.94Å; V1500-P1563 HydrophobicContact CG2-CG 4.13Å; V1500-L1565 HydrophobicContact CB-CD1 4.06Å; V1500-L1565 HydrophobicContact CG1-CB 3.93Å; V1500-L1565 HydrophobicContact CG1-CD1 3.84Å; V1500-L1565 HydrophobicContact CG1-CG 4.14Å |
| 1501 | C | 92.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 172.8 | -72.5 | 0 | 0 | 0 | 0 | 112.2 | M1372 S1497 V1498 R1504 C1505 F1506 | M1372-C1501 HydrophobicContact CE-CB 3.89Å; M1372-C1501 HydrophobicContact SD-CB 4.46Å; S1497-C1501 PolarHBondContact O-N 3.15Å; S1497-C1501 PolarHBondContact O-SG 2.97Å; V1498-C1501 WeakPolarHBondContact O-CB 3.3Å; V1498-C1501 PolarHBondContact O-N 3.35Å; C1501-R1504 PolarHBondContact O-N 2.95Å; C1501-C1505 PolarHBondContact O-N 3.48Å; C1501-C1505 VanDerWaalsContact O-N 3.14Å; C1501-F1506 WeakPolarHBondContact CB-O 3.32Å; C1501-F1506 PolarHBondContact O-N 3.18Å |
| 1502 | W | 93.1 | Very high | 84.3 | Confident | 42 Ų | 42 | 34 Ų | 34 | 16% | 0.159 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.6 | -53.7 | 175.7 | 175 | -97.9 | 0 | 0 | 0 | 112.5 | W1359 P1370 M1372 R1385 F1393 V1498 H1499 R1504 | W1359-W1502 AromaticContact CD1-CE3 3.67Å; P1370-W1502 HydrophobicContact CB-CH2 3.76Å; P1370-W1502 HydrophobicContact CB-CZ3 3.98Å; P1370-W1502 HydrophobicContact CG-CH2 3.92Å; P1370-W1502 HydrophobicContact CG-CZ2 4.46Å; M1372-W1502 HydrophobicContact CG-CB 4.33Å; M1372-W1502 HydrophobicContact CG-CE3 3.8Å; M1372-W1502 HydrophobicContact SD-CB 3.82Å; M1372-W1502 HydrophobicContact SD-CE3 4.09Å; R1385-W1502 HydrophobicContact CB-CD2 4.45Å; R1385-W1502 HydrophobicContact CB-CH2 4.27Å; R1385-W1502 HydrophobicContact CB-CZ2 3.76Å; F1393-W1502 HydrophobicContact CE1-CB 4.13Å; F1393-W1502 AromaticContact CE1-CD2 3.84Å; F1393-W1502 HydrophobicContact CE1-CD2 3.84Å; F1393-W1502 AromaticContact CE1-CE3 3.9Å; F1393-W1502 HydrophobicContact CE1-CE3 3.9Å; F1393-W1502 AromaticContact CE1-CG 3.96Å; F1393-W1502 HydrophobicContact CE1-CG 3.96Å; F1393-W1502 HydrophobicContact CZ-CB 3.87Å; F1393-W1502 HydrophobicContact CZ-CD2 4.42Å; F1393-W1502 HydrophobicContact CZ-CG 4.05Å; V1498-W1502 PolarHBondContact O-N 3.08Å; H1499-W1502 PolarHBondContact O-N 3.04Å; W1502-R1504 PolarHBondContact O-N 2.83Å |
| 1503 | H | 89.8 | Confident | 86.6 | Confident | 106 Ų | 106 | 31.1 Ų | 31.1 | 49% | 0.491 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -70.3 | -12 | -174.8 | -85 | -84.4 | 0 | 0 | 0 | 114.5 | R1385 H1499 | R1385-H1503 PolarHBondContact NH1-CE1 2.83Å; R1385-H1503 PolarHBondContact NH1-NE2 2.92Å; R1385-H1503 VanDerWaalsContact NH1-NE2 3.11Å; H1499-H1503 WeakPolarHBondContact O-CB 3.42Å; H1499-H1503 PolarHBondContact O-CD2 3.02Å; H1499-H1503 PolarHBondContact O-N 3.34Å |
| 1504 | R | 89 | Confident | 88.5 | Confident | 40 Ų | 40 | 29.1 Ų | 29.1 | 15% | 0.151 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -122.1 | 8.1 | -177 | -57.6 | -167.2 | -177.4 | 175.3 | 5.2 | 114.9 | V1500 C1501 W1502 F1506 P1563 L1565 F1588 | V1500-R1504 HydrophobicContact CG1-CG 4.44Å; V1500-R1504 WeakPolarHBondContact O-CB 3.4Å; V1500-R1504 WeakPolarHBondContact O-CG 3.5Å; V1500-R1504 PolarHBondContact O-N 3.47Å; C1501-R1504 PolarHBondContact O-N 2.95Å; W1502-R1504 PolarHBondContact O-N 2.83Å; R1504-F1506 VanDerWaalsContact C-N 3.33Å; R1504-F1506 HydrophobicContact CB-CB 4.29Å; R1504-F1506 PolarHBondContact O-N 2.92Å; R1504-P1563 VanDerWaalsContact CZ-O 3.25Å; R1504-P1563 PolarHBondContact NH1-O 3.5Å; R1504-P1563 PolarHBondContact NH2-O 3.3Å; R1504-L1565 WeakPolarHBondContact CD-O 3.43Å; R1504-L1565 PolarHBondContact NH1-O 2.87Å; R1504-F1588 HydrophobicContact CB-CE2 4.25Å; R1504-F1588 HydrophobicContact CB-CZ 3.91Å; R1504-F1588 HydrophobicContact CG-CE1 4.14Å; R1504-F1588 HydrophobicContact CG-CE2 4.3Å; R1504-F1588 HydrophobicContact CG-CZ 3.64Å |
| 1505 | C | 92.9 | Very high | 90 | Very high | 40 Ų | 40 | 31.1 Ų | 31.1 | 27% | 0.27 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 49.8 | -179.8 | -49.2 | 0 | 0 | 0 | 0 | 111.2 | W1359 S1429 Q1433 C1501 | W1359-C1505 HydrophobicContact CD2-CB 3.77Å; W1359-C1505 HydrophobicContact CE3-CB 3.55Å; W1359-C1505 HydrophobicContact CG-CB 4.38Å; W1359-C1505 HydrophobicContact CH2-CB 4.04Å; W1359-C1505 HydrophobicContact CZ2-CB 4.26Å; W1359-C1505 HydrophobicContact CZ3-CB 3.71Å; S1429-C1505 PolarHBondContact OG-O 2.98Å; Q1433-C1505 PolarHBondContact NE2-O 3.5Å; Q1433-C1505 VanDerWaalsContact NE2-O 3.08Å; Q1433-C1505 PolarHBondContact OE1-O 3.39Å; C1501-C1505 PolarHBondContact O-N 3.48Å; C1501-C1505 VanDerWaalsContact O-N 3.14Å |
| 1506 | F | 91.3 | Very high | 90.9 | Very high | 16 Ų | 16 | 27.2 Ų | 27.2 | 7% | 0.07 | 13% | 0.132 | C | C | . | . | trans | -129.5 | 167.1 | -164.8 | -146 | -100.3 | 0 | 0 | 0 | 112.6 | G1358 W1359 C1501 R1504 L1565 A1616 | G1358-F1506 CarbonylContact C-O 3.57Å; G1358-F1506 WeakPolarHBondContact CA-O 3.28Å; W1359-F1506 PolarHBondContact N-O 3.35Å; C1501-F1506 WeakPolarHBondContact CB-O 3.32Å; C1501-F1506 PolarHBondContact O-N 3.18Å; R1504-F1506 VanDerWaalsContact C-N 3.33Å; R1504-F1506 HydrophobicContact CB-CB 4.29Å; R1504-F1506 PolarHBondContact O-N 2.92Å; F1506-L1565 HydrophobicContact CD1-CB 3.78Å; F1506-L1565 HydrophobicContact CD1-CD1 4.33Å; F1506-L1565 HydrophobicContact CD1-CD2 4.05Å; F1506-L1565 HydrophobicContact CD1-CG 4.27Å; F1506-L1565 HydrophobicContact CE1-CB 4.09Å; F1506-L1565 HydrophobicContact CE1-CD2 3.91Å; F1506-L1565 HydrophobicContact CG-CB 4.27Å; F1506-A1616 HydrophobicContact CE1-CB 3.54Å; F1506-A1616 HydrophobicContact CZ-CB 3.55Å; F1506-A1616 WeakPolarHBondContact CZ-O 3.23Å | ||
| 1507 | T | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 151.9 | -176.4 | 90.6 | 0 | 0 | 0 | 0 | 110.1 | R1356 E1357 Q1433 W1437 | R1356-T1507 PolarHBondContact NH1-OG1 3.12Å; E1357-T1507 CarbonylContact O-C 3.56Å; E1357-T1507 VanDerWaalsContact O-CA 3.25Å; E1357-T1507 WeakPolarHBondContact O-CA 3.3Å; E1357-T1507 WeakPolarHBondContact O-CB 3.42Å; Q1433-T1507 HydrophobicContact CB-CG2 4.29Å; Q1433-T1507 HydrophobicContact CG-CG2 4.11Å; W1437-T1507 VanDerWaalsContact NE1-CG2 3.26Å |
| 1508 | L | 92.5 | Very high | 91.3 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 131.9 | -178.8 | -172.6 | 65.9 | 0 | 0 | 0 | 110 | R1356 E1357 D1512 I1513 L1545 L1565 | R1356-L1508 WeakPolarHBondContact CA-O 3.34Å; E1357-L1508 HydrophobicContact CG-CB 4.3Å; E1357-L1508 PolarHBondContact N-O 3.5Å; E1357-L1508 PolarHBondContact O-N 3.1Å; L1508-D1512 HydrophobicContact CD1-CB 3.67Å; L1508-I1513 HydrophobicContact CD1-CG1 4.41Å; L1508-I1513 HydrophobicContact CD2-CD1 4.06Å; L1508-I1513 HydrophobicContact CD2-CG1 3.74Å; L1508-I1513 HydrophobicContact CG-CD1 4.34Å; L1508-I1513 HydrophobicContact CG-CG1 3.92Å; L1508-L1545 HydrophobicContact CD1-CD1 3.54Å; L1508-L1545 HydrophobicContact CD2-CD1 4.26Å; L1508-L1565 HydrophobicContact CD1-CD2 4.26Å |
| 1509 | S | 94.3 | Very high | 91.2 | Very high | 8 Ų | 8 | 29.3 Ų | 29.3 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 161.7 | 174.1 | 71.1 | 0 | 0 | 0 | 0 | 112.9 | I1355 Q1511 D1512 I1513 | I1355-S1509 CarbonylContact O-C 3.6Å; I1355-S1509 WeakPolarHBondContact O-CA 3.47Å; I1355-S1509 VanDerWaalsContact O-CB 3.26Å; I1355-S1509 WeakPolarHBondContact O-CB 3.47Å; S1509-Q1511 PolarHBondContact O-N 2.78Å; S1509-Q1511 PolarHBondContact OG-N 3.27Å; S1509-D1512 WeakPolarHBondContact CB-OD2 3.29Å; S1509-D1512 PolarHBondContact N-OD2 3.21Å; S1509-D1512 VanDerWaalsContact N-OD2 3.16Å; S1509-D1512 WeakPolarHBondContact O-CB 3.17Å; S1509-D1512 PolarHBondContact O-N 2.98Å; S1509-D1512 PolarHBondContact OG-N 2.72Å; S1509-D1512 PolarHBondContact OG-OD2 3.42Å; S1509-I1513 PolarHBondContact O-N 3.07Å |
| 1510 | M | 94.2 | Very high | 91.3 | Very high | 24 Ų | 24 | 29.7 Ų | 29.7 | 12% | 0.118 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -53.6 | -39.2 | 169.8 | -178 | 56.6 | 88.5 | 0 | 0 | 111.7 | E1280 N1281 K1284 F1354 I1355 D1512 I1513 L1514 | E1280-M1510 HydrophobicContact CG-SD 4.39Å; N1281-M1510 HydrophobicContact CB-CE 3.85Å; K1284-M1510 HydrophobicContact CB-CE 4.17Å; K1284-M1510 HydrophobicContact CG-CE 4.45Å; F1354-M1510 HydrophobicContact CB-CE 4.26Å; F1354-M1510 HydrophobicContact CD1-CB 3.97Å; F1354-M1510 HydrophobicContact CD1-CE 4Å; F1354-M1510 HydrophobicContact CE1-CB 4.39Å; F1354-M1510 WeakPolarHBondContact O-CB 3.36Å; I1355-M1510 PolarHBondContact O-N 3.33Å; M1510-D1512 VanDerWaalsContact C-N 3.28Å; M1510-D1512 PolarHBondContact O-N 3.17Å; M1510-I1513 PolarHBondContact O-N 3.48Å; M1510-L1514 HydrophobicContact CG-CD1 3.97Å; M1510-L1514 HydrophobicContact CG-CG 4.34Å; M1510-L1514 WeakPolarHBondContact O-CG 3.4Å; M1510-L1514 PolarHBondContact O-N 2.99Å; M1510-L1514 HydrophobicContact SD-CD1 4.29Å; M1510-L1514 HydrophobicContact SD-CG 4.12Å |
| 1511 | Q | 91.3 | Very high | 91.5 | Very high | 113 Ų | 113 | 29.2 Ų | 29.2 | 53% | 0.528 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -68.3 | -27.2 | 179 | -174.1 | 56.1 | 85.6 | 0 | 0 | 112.9 | S1509 R1515 | S1509-Q1511 PolarHBondContact O-N 2.78Å; S1509-Q1511 PolarHBondContact OG-N 3.27Å; Q1511-R1515 VanDerWaalsContact O-CB 3.29Å; Q1511-R1515 WeakPolarHBondContact O-CB 3.15Å; Q1511-R1515 PolarHBondContact O-N 2.66Å |
| 1512 | D | 91.3 | Very high | 91.6 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 8% | 0.075 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -77.6 | -37.3 | 174 | -58.5 | -48.7 | 0 | 0 | 0 | 111.6 | L1508 S1509 M1510 R1515 A1516 | L1508-D1512 HydrophobicContact CD1-CB 3.67Å; S1509-D1512 WeakPolarHBondContact CB-OD2 3.29Å; S1509-D1512 PolarHBondContact N-OD2 3.21Å; S1509-D1512 VanDerWaalsContact N-OD2 3.16Å; S1509-D1512 WeakPolarHBondContact O-CB 3.17Å; S1509-D1512 PolarHBondContact O-N 2.98Å; S1509-D1512 PolarHBondContact OG-N 2.72Å; S1509-D1512 PolarHBondContact OG-OD2 3.42Å; M1510-D1512 VanDerWaalsContact C-N 3.28Å; M1510-D1512 PolarHBondContact O-N 3.17Å; D1512-R1515 IonicContact OD1-CZ 2.74Å; D1512-R1515 IonicContact OD1-NH1 3.61Å; D1512-R1515 PolarHBondContact OD1-NH1 3.49Å; D1512-R1515 IonicContact OD1-NH2 2.7Å; D1512-A1516 VanDerWaalsContact O-CB 3.28Å; D1512-A1516 WeakPolarHBondContact O-CB 3.33Å; D1512-A1516 PolarHBondContact O-N 2.9Å |
| 1513 | I | 91.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 5% | 0.051 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.9 | -54.3 | 173.1 | -64.3 | 167.9 | 0 | 0 | 0 | 110.3 | E1280 K1284 F1354 L1508 S1509 M1510 R1515 A1516 N1517 | E1280-I1513 HydrophobicContact CG-CG2 4.48Å; E1280-I1513 WeakPolarHBondContact OE1-CG2 3.39Å; K1284-I1513 HydrophobicContact CD-CD1 4.35Å; F1354-I1513 HydrophobicContact CE1-CD1 4.06Å; L1508-I1513 HydrophobicContact CD1-CG1 4.41Å; L1508-I1513 HydrophobicContact CD2-CD1 4.06Å; L1508-I1513 HydrophobicContact CD2-CG1 3.74Å; L1508-I1513 HydrophobicContact CG-CD1 4.34Å; L1508-I1513 HydrophobicContact CG-CG1 3.92Å; S1509-I1513 PolarHBondContact O-N 3.07Å; M1510-I1513 PolarHBondContact O-N 3.48Å; I1513-R1515 VanDerWaalsContact C-N 3.31Å; I1513-R1515 PolarHBondContact O-N 3.28Å; I1513-A1516 PolarHBondContact O-N 2.95Å; I1513-A1516 VanDerWaalsContact O-N 3.09Å; I1513-N1517 PolarHBondContact O-N 3.28Å; I1513-N1517 PolarHBondContact O-ND2 3.14Å |
| 1514 | L | 92.6 | Very high | 92 | Very high | 11 Ų | 11 | 23.9 Ų | 23.9 | 6% | 0.058 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.2 | -41.7 | 179.4 | -68.6 | 172.2 | 0 | 0 | 0 | 111.8 | Y1276 K1277 E1280 M1510 N1517 | Y1276-L1514 HydrophobicContact CE1-CD2 3.74Å; K1277-L1514 HydrophobicContact CG-CD1 4.25Å; E1280-L1514 HydrophobicContact CB-CD2 4.37Å; E1280-L1514 HydrophobicContact CG-CD2 4.06Å; M1510-L1514 HydrophobicContact CG-CD1 3.97Å; M1510-L1514 HydrophobicContact CG-CG 4.34Å; M1510-L1514 WeakPolarHBondContact O-CG 3.4Å; M1510-L1514 PolarHBondContact O-N 2.99Å; M1510-L1514 HydrophobicContact SD-CD1 4.29Å; M1510-L1514 HydrophobicContact SD-CG 4.12Å; L1514-N1517 PolarHBondContact O-N 2.88Å |
| 1515 | R | 88.4 | Confident | 92.2 | Very high | 74 Ų | 74 | 22.1 Ų | 22.1 | 28% | 0.279 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 174.7 | -168.2 | -169.5 | -53.1 | 109.7 | 3.9 | 111.6 | Q1511 D1512 I1513 N1517 E1518 Y1519 C1612 | Q1511-R1515 VanDerWaalsContact O-CB 3.29Å; Q1511-R1515 WeakPolarHBondContact O-CB 3.15Å; Q1511-R1515 PolarHBondContact O-N 2.66Å; D1512-R1515 IonicContact OD1-CZ 2.74Å; D1512-R1515 IonicContact OD1-NH1 3.61Å; D1512-R1515 PolarHBondContact OD1-NH1 3.49Å; D1512-R1515 IonicContact OD1-NH2 2.7Å; I1513-R1515 VanDerWaalsContact C-N 3.31Å; I1513-R1515 PolarHBondContact O-N 3.28Å; R1515-N1517 PolarHBondContact O-N 3.37Å; R1515-E1518 PolarHBondContact O-N 3.01Å; R1515-Y1519 HydrophobicContact CG-CD2 4.3Å; R1515-Y1519 HydrophobicContact CG-CE2 4.14Å; R1515-Y1519 VanDerWaalsContact O-CD2 3.27Å; R1515-Y1519 WeakPolarHBondContact O-CD2 3.23Å; R1515-C1612 VanDerWaalsContact CD-O 3.28Å; R1515-C1612 WeakPolarHBondContact CD-O 3.36Å |
| 1516 | A | 89.3 | Confident | 92.2 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 2% | 0.017 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.5 | -26.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1512 I1513 Y1519 L1545 A1613 | D1512-A1516 VanDerWaalsContact O-CB 3.28Å; D1512-A1516 WeakPolarHBondContact O-CB 3.33Å; D1512-A1516 PolarHBondContact O-N 2.9Å; I1513-A1516 PolarHBondContact O-N 2.95Å; I1513-A1516 VanDerWaalsContact O-N 3.09Å; A1516-Y1519 PolarHBondContact O-N 3.48Å; A1516-L1545 HydrophobicContact CB-CD1 4.25Å; A1516-L1545 HydrophobicContact CB-CD2 3.58Å; A1516-L1545 HydrophobicContact CB-CG 3.77Å; A1516-A1613 HydrophobicContact CB-CB 4Å |
| 1517 | N | 90.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.1 | -29.3 | 176.3 | -72.8 | -28.5 | 0 | 0 | 0 | 113.9 | H1232 Y1276 E1280 I1513 L1514 R1515 Y1519 Q1520 | H1232-N1517 PolarHBondContact CE1-OD1 3.27Å; H1232-N1517 PolarHBondContact NE2-ND2 3.27Å; Y1276-N1517 PolarHBondContact OH-ND2 3.49Å; E1280-N1517 PolarHBondContact OE1-ND2 3Å; E1280-N1517 PolarHBondContact OE2-ND2 3.41Å; I1513-N1517 PolarHBondContact O-N 3.28Å; I1513-N1517 PolarHBondContact O-ND2 3.14Å; L1514-N1517 PolarHBondContact O-N 2.88Å; R1515-N1517 PolarHBondContact O-N 3.37Å; N1517-Y1519 VanDerWaalsContact C-N 3.35Å; N1517-Q1520 WeakPolarHBondContact O-CG 3.22Å; N1517-Q1520 PolarHBondContact OD1-NE2 2.96Å |
| 1518 | E | 88.9 | Confident | 92.2 | Very high | 38 Ų | 38 | 24.3 Ų | 24.3 | 18% | 0.178 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.2 | -31.6 | 173.5 | -59 | -163.2 | 119.3 | 0 | 0 | 112.6 | L1235 R1238 R1515 | L1235-E1518 HydrophobicContact CB-CG 4.43Å; L1235-E1518 HydrophobicContact CD1-CG 4.35Å; R1238-E1518 IonicContact CZ-OE1 2.95Å; R1238-E1518 IonicContact NH2-OE1 2.86Å; R1238-E1518 PolarHBondContact NH2-OE1 3.45Å; R1238-E1518 IonicContact NH2-OE2 2.68Å; R1515-E1518 PolarHBondContact O-N 3.01Å |
| 1519 | Y | 88.6 | Confident | 92 | Very high | 48 Ų | 48 | 25.2 Ų | 25.2 | 19% | 0.188 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 28 | -175 | -60.5 | -71.4 | 0 | 0 | 0 | 113.8 | R1515 A1516 N1517 F1542 Y1609 C1612 | R1515-Y1519 HydrophobicContact CG-CD2 4.3Å; R1515-Y1519 HydrophobicContact CG-CE2 4.14Å; R1515-Y1519 VanDerWaalsContact O-CD2 3.27Å; R1515-Y1519 WeakPolarHBondContact O-CD2 3.23Å; A1516-Y1519 PolarHBondContact O-N 3.48Å; N1517-Y1519 VanDerWaalsContact C-N 3.35Å; Y1519-F1542 WeakPolarHBondContact O-CD1 3.45Å; Y1519-F1542 WeakPolarHBondContact O-CE1 3.47Å; Y1519-Y1609 AromaticContact CD1-CD1 3.58Å; Y1519-Y1609 HydrophobicContact CD1-CD1 3.58Å; Y1519-Y1609 AromaticContact CD1-CE1 3.91Å; Y1519-Y1609 HydrophobicContact CD1-CE1 3.91Å; Y1519-Y1609 HydrophobicContact CE1-CD1 4.45Å; Y1519-Y1609 HydrophobicContact CG-CD1 4.38Å; Y1519-C1612 HydrophobicContact CD1-CB 4.2Å; Y1519-C1612 HydrophobicContact CD2-CB 3.72Å; Y1519-C1612 HydrophobicContact CE1-CB 4.34Å; Y1519-C1612 HydrophobicContact CE2-CB 3.93Å; Y1519-C1612 HydrophobicContact CG-CB 3.88Å |
| 1520 | Q | 92.4 | Very high | 91.4 | Very high | 16 Ų | 16 | 29 Ų | 29 | 8% | 0.075 | 13% | 0.13 | C | C | . | . | trans | -67.8 | 141.9 | 168.4 | -62.8 | 178.9 | 17.5 | 0 | 0 | 110.2 | K1229 H1232 N1517 F1542 | K1229-Q1520 VanDerWaalsContact NZ-CD 3.31Å; K1229-Q1520 VanDerWaalsContact NZ-NE2 3.17Å; H1232-Q1520 PolarHBondContact ND1-NE2 3.16Å; N1517-Q1520 WeakPolarHBondContact O-CG 3.22Å; N1517-Q1520 PolarHBondContact OD1-NE2 2.96Å; Q1520-F1542 WeakPolarHBondContact CA-O 3.33Å; Q1520-F1542 WeakPolarHBondContact CB-O 3.27Å | ||
| 1521 | T | 94.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 169.3 | -179.6 | -163.4 | 0 | 0 | 0 | 0 | 112.8 | F1542 W1606 Y1609 | T1521-F1542 HydrophobicContact CG2-CB 3.97Å; T1521-F1542 HydrophobicContact CG2-CD1 4.44Å; T1521-F1542 PolarHBondContact N-O 2.98Å; T1521-F1542 VanDerWaalsContact N-O 3.16Å; T1521-F1542 PolarHBondContact O-N 3.37Å; T1521-W1606 HydrophobicContact CG2-CD2 4.14Å; T1521-W1606 HydrophobicContact CG2-CE3 3.93Å; T1521-W1606 HydrophobicContact CG2-CH2 3.74Å; T1521-W1606 HydrophobicContact CG2-CZ2 3.94Å; T1521-W1606 HydrophobicContact CG2-CZ3 3.73Å; T1521-Y1609 HydrophobicContact CG2-CD2 3.8Å |
| 1522 | S | 95.7 | Very high | 90.3 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 6% | 0.056 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 147 | 175.4 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | M1069 T1073 V1540 | M1069-S1522 VanDerWaalsContact CB-O 3.31Å; M1069-S1522 WeakPolarHBondContact CB-O 3.45Å; T1073-S1522 VanDerWaalsContact OG1-CB 3.27Å; T1073-S1522 WeakPolarHBondContact OG1-CB 3.14Å; T1073-S1522 PolarHBondContact OG1-OG 2.9Å; S1522-V1540 CarbonylContact C-O 3.51Å; S1522-V1540 VanDerWaalsContact CA-O 3.28Å; S1522-V1540 WeakPolarHBondContact CA-O 3.49Å |
| 1523 | G | 95 | Very high | 89.5 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.2 | -178.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | M1069 V1540 | M1069-G1523 VanDerWaalsContact SD-CA 3.51Å; G1523-V1540 PolarHBondContact N-O 3.1Å; G1523-V1540 PolarHBondContact O-N 3.24Å |
| 1524 | Y | 95 | Very high | 89 | Confident | 26 Ų | 26 | 37.3 Ų | 37.3 | 10% | 0.102 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 132.7 | 174.9 | -78.9 | -76.1 | 0 | 0 | 0 | 111.9 | M1069 R1537 L1538 W1539 S1552 Y1553 E1598 | M1069-Y1524 HydrophobicContact CE-CD2 4.23Å; Y1524-R1537 HydrophobicContact CD1-CG 4.02Å; Y1524-R1537 VanDerWaalsContact CD1-CZ 3.49Å; Y1524-R1537 VanDerWaalsContact CG-CZ 3.44Å; Y1524-L1538 WeakPolarHBondContact CA-O 3.22Å; Y1524-L1538 WeakPolarHBondContact CD1-O 3.48Å; Y1524-W1539 HydrophobicContact CD1-CB 4.28Å; Y1524-W1539 HydrophobicContact CD1-CE3 4.4Å; Y1524-W1539 AromaticContact CD2-CE3 3.67Å; Y1524-W1539 HydrophobicContact CD2-CE3 3.67Å; Y1524-W1539 AromaticContact CD2-CZ3 3.96Å; Y1524-W1539 HydrophobicContact CD2-CZ3 3.96Å; Y1524-W1539 HydrophobicContact CE1-CB 3.94Å; Y1524-W1539 HydrophobicContact CE1-CE3 4.38Å; Y1524-W1539 AromaticContact CE2-CE3 3.64Å; Y1524-W1539 HydrophobicContact CE2-CE3 3.64Å; Y1524-W1539 AromaticContact CE2-CZ3 4Å; Y1524-W1539 HydrophobicContact CE2-CZ3 4Å; Y1524-W1539 HydrophobicContact CG-CE3 4.07Å; Y1524-S1552 PolarHBondContact OH-OG 3.39Å; Y1524-Y1553 HydrophobicContact CE2-CD1 4.42Å; Y1524-E1598 WeakPolarHBondContact CB-OE1 3.38Å |
| 1525 | L | 94.6 | Very high | 88.9 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 155.5 | 170.1 | -71 | 176.1 | 0 | 0 | 0 | 109.7 | R1537 L1538 V1540 F1595 R1596 W1606 | L1525-R1537 WeakPolarHBondContact O-CA 3.47Å; L1525-L1538 PolarHBondContact N-O 3.35Å; L1525-L1538 PolarHBondContact O-N 3.26Å; L1525-V1540 HydrophobicContact CB-CG2 3.9Å; L1525-V1540 HydrophobicContact CD1-CB 4.29Å; L1525-V1540 HydrophobicContact CD1-CG1 4.49Å; L1525-V1540 HydrophobicContact CD1-CG2 4.12Å; L1525-V1540 HydrophobicContact CG-CG2 4.29Å; L1525-F1595 HydrophobicContact CB-CD1 4.48Å; L1525-F1595 HydrophobicContact CD1-CB 4.27Å; L1525-F1595 HydrophobicContact CD1-CD1 4.21Å; L1525-F1595 HydrophobicContact CD1-CG 4.49Å; L1525-R1596 WeakPolarHBondContact CD2-O 3.39Å; L1525-W1606 HydrophobicContact CD1-CD2 3.7Å; L1525-W1606 HydrophobicContact CD1-CE3 3.93Å; L1525-W1606 HydrophobicContact CD1-CG 4.18Å; L1525-W1606 HydrophobicContact CD1-CH2 4.15Å; L1525-W1606 HydrophobicContact CD1-CZ2 3.93Å; L1525-W1606 HydrophobicContact CD1-CZ3 4.14Å; L1525-W1606 HydrophobicContact CD2-CD2 4.31Å; L1525-W1606 HydrophobicContact CD2-CG 4Å; L1525-W1606 HydrophobicContact CG-CD2 4.25Å; L1525-W1606 HydrophobicContact CG-CG 4.47Å; L1525-W1606 HydrophobicContact CG-CZ2 4.2Å |
| 1526 | L | 92.8 | Very high | 89.1 | Confident | 30 Ų | 30 | 41 Ų | 41 | 16% | 0.157 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.3 | 166.3 | -58.8 | 87.8 | 0 | 0 | 0 | 109.9 | W1535 Q1536 R1537 F1595 R1596 | L1526-W1535 HydrophobicContact CB-CB 4.28Å; L1526-W1535 HydrophobicContact CB-CD2 4.49Å; L1526-W1535 HydrophobicContact CB-CE3 3.87Å; L1526-W1535 HydrophobicContact CD2-CB 4.15Å; L1526-W1535 WeakPolarHBondContact O-CZ3 3.35Å; L1526-Q1536 CarbonylContact C-O 3.55Å; L1526-Q1536 WeakPolarHBondContact CA-O 3.38Å; L1526-R1537 HydrophobicContact CG-CB 4.26Å; L1526-F1595 CarbonylContact O-C 3.44Å; L1526-F1595 VanDerWaalsContact O-CA 3.3Å; L1526-F1595 WeakPolarHBondContact O-CA 3.47Å; L1526-R1596 HydrophobicContact CB-CB 4.21Å; L1526-R1596 PolarHBondContact N-O 3.11Å; L1526-R1596 PolarHBondContact O-N 3.44Å |
| 1527 | R | 93.5 | Very high | 89.3 | Confident | 35 Ų | 35 | 46.2 Ų | 46.2 | 13% | 0.132 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 140 | 177 | -174.1 | 179.2 | 71 | 172.8 | 4.4 | 111.5 | W1535 Q1536 L1538 F1594 F1595 | R1527-W1535 CarbonylContact O-C 3.27Å; R1527-W1535 WeakPolarHBondContact O-CA 3.36Å; R1527-Q1536 PolarHBondContact N-O 3.2Å; R1527-Q1536 PolarHBondContact O-N 2.97Å; R1527-L1538 HydrophobicContact CB-CD1 4.08Å; R1527-F1594 CarbonylContact C-O 3.52Å; R1527-F1594 WeakPolarHBondContact CA-O 3.18Å; R1527-F1595 HydrophobicContact CB-CD1 3.95Å; R1527-F1595 HydrophobicContact CB-CE1 3.77Å; R1527-F1595 HydrophobicContact CG-CD1 4.06Å; R1527-F1595 HydrophobicContact CG-CE1 3.52Å; R1527-F1595 HydrophobicContact CG-CZ 3.98Å |
| 1528 | K | 90.4 | Very high | 89.5 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 17% | 0.165 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 139.3 | 168.7 | -179.7 | -169.9 | 177.3 | -160.9 | 0 | 109.6 | S1532 W1535 I1578 F1594 | K1528-S1532 WeakPolarHBondContact CE-O 3.46Å; K1528-S1532 WeakPolarHBondContact CG-OG 3.43Å; K1528-W1535 HydrophobicContact CB-CD2 3.71Å; K1528-W1535 HydrophobicContact CB-CE3 3.47Å; K1528-W1535 VanDerWaalsContact CB-CE3 3.47Å; K1528-W1535 HydrophobicContact CB-CG 4.38Å; K1528-W1535 HydrophobicContact CB-CH2 4.01Å; K1528-W1535 HydrophobicContact CB-CZ2 4.23Å; K1528-W1535 HydrophobicContact CB-CZ3 3.63Å; K1528-W1535 HydrophobicContact CD-CD2 4.33Å; K1528-W1535 HydrophobicContact CD-CH2 4.42Å; K1528-W1535 HydrophobicContact CD-CZ2 3.94Å; K1528-W1535 HydrophobicContact CG-CD2 4.47Å; K1528-I1578 HydrophobicContact CD-CD1 4.44Å; K1528-F1594 HydrophobicContact CB-CB 4.37Å; K1528-F1594 PolarHBondContact N-O 3.5Å; K1528-F1594 PolarHBondContact O-N 3.05Å |
| 1529 | F | 88.1 | Confident | 89.9 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 11% | 0.105 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 153.3 | 170.8 | -59.8 | -102.3 | 0 | 0 | 0 | 109.6 | E318 N1531 S1532 Y1593 | E318-F1529 HydrophobicContact CG-CE1 4.1Å; E318-F1529 HydrophobicContact CG-CZ 4.23Å; E318-F1529 VanDerWaalsContact OE1-CE1 3.3Å; E318-F1529 WeakPolarHBondContact OE1-CE1 3.31Å; E318-F1529 WeakPolarHBondContact OE1-CZ 3.5Å; F1529-N1531 PolarHBondContact O-N 3.2Å; F1529-S1532 PolarHBondContact N-OG 3.4Å; F1529-S1532 PolarHBondContact O-N 2.93Å; F1529-S1532 PolarHBondContact O-OG 2.89Å; F1529-Y1593 HydrophobicContact CD1-CD1 4.06Å; F1529-Y1593 AromaticContact CD1-CE1 3.82Å; F1529-Y1593 HydrophobicContact CD1-CE1 3.82Å; F1529-Y1593 HydrophobicContact CE1-CD1 4.09Å; F1529-Y1593 AromaticContact CE1-CE1 3.54Å; F1529-Y1593 HydrophobicContact CE1-CE1 3.54Å; F1529-Y1593 HydrophobicContact CZ-CE1 4.45Å |
| 1530 | K | 82 | Confident | 90.3 | Very high | 88 Ų | 88 | 42.9 Ų | 42.9 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25 | -179.1 | -173.9 | 156.2 | -179.6 | 151.2 | 0 | 114.7 | D1576 V1592 F1594 | K1530-D1576 WeakPolarHBondContact CE-OD1 3.37Å; K1530-D1576 IonicContact NZ-OD1 2.71Å; K1530-D1576 PolarHBondContact NZ-OD1 2.97Å; K1530-V1592 HydrophobicContact CB-CB 4.15Å; K1530-V1592 HydrophobicContact CB-CG1 4.38Å; K1530-V1592 HydrophobicContact CD-CB 4.12Å; K1530-V1592 HydrophobicContact CD-CG1 4.16Å; K1530-V1592 HydrophobicContact CD-CG2 4.27Å; K1530-F1594 HydrophobicContact CB-CE2 3.9Å; K1530-F1594 HydrophobicContact CG-CE2 4.25Å |
| 1531 | N | 78.7 | Confident | 90.5 | Very high | 85 Ų | 85 | 42.2 Ų | 42.2 | 46% | 0.455 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -0.5 | 179.6 | -54.8 | -61.3 | 0 | 0 | 0 | 114.7 | K310 F1529 | K310-N1531 VanDerWaalsContact CE-ND2 3.31Å; K310-N1531 WeakPolarHBondContact CE-ND2 3.25Å; K310-N1531 PolarHBondContact NZ-ND2 2.94Å; K310-N1531 PolarHBondContact NZ-OD1 3.17Å; F1529-N1531 PolarHBondContact O-N 3.2Å |
| 1532 | S | 83.1 | Confident | 90.5 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | trans | -89.4 | 137.6 | -175.7 | 70.3 | 0 | 0 | 0 | 0 | 112.4 | K1528 F1529 G1534 | K1528-S1532 WeakPolarHBondContact CE-O 3.46Å; K1528-S1532 WeakPolarHBondContact CG-OG 3.43Å; F1529-S1532 PolarHBondContact N-OG 3.4Å; F1529-S1532 PolarHBondContact O-N 2.93Å; F1529-S1532 PolarHBondContact O-OG 2.89Å; S1532-G1534 PolarHBondContact OG-O 3.37Å | ||
| 1533 | N | 73.4 | Confident | 90.4 | Very high | 174 Ų | 174 | 41.9 Ų | 41.9 | 93% | 0.93 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -75.3 | -23.3 | -179.1 | -65.6 | -9.9 | 0 | 0 | 0 | 113.5 | ||
| 1534 | G | 82.8 | Confident | 90.1 | Very high | 43 Ų | 43 | 44.3 Ų | 44.3 | 44% | 0.443 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -115.5 | 162.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1532 | S1532-G1534 PolarHBondContact OG-O 3.37Š|
| 1535 | W | 89.6 | Confident | 89.9 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 28% | 0.28 | 22% | 0.218 | S | C | . | . | trans | -98.8 | 139.4 | 168.2 | -69.1 | 91.9 | 0 | 0 | 0 | 109.8 | L1526 R1527 K1528 I1578 V1583 F1594 R1596 | L1526-W1535 HydrophobicContact CB-CB 4.28Å; L1526-W1535 HydrophobicContact CB-CD2 4.49Å; L1526-W1535 HydrophobicContact CB-CE3 3.87Å; L1526-W1535 HydrophobicContact CD2-CB 4.15Å; L1526-W1535 WeakPolarHBondContact O-CZ3 3.35Å; R1527-W1535 CarbonylContact O-C 3.27Å; R1527-W1535 WeakPolarHBondContact O-CA 3.36Å; K1528-W1535 HydrophobicContact CB-CD2 3.71Å; K1528-W1535 HydrophobicContact CB-CE3 3.47Å; K1528-W1535 VanDerWaalsContact CB-CE3 3.47Å; K1528-W1535 HydrophobicContact CB-CG 4.38Å; K1528-W1535 HydrophobicContact CB-CH2 4.01Å; K1528-W1535 HydrophobicContact CB-CZ2 4.23Å; K1528-W1535 HydrophobicContact CB-CZ3 3.63Å; K1528-W1535 HydrophobicContact CD-CD2 4.33Å; K1528-W1535 HydrophobicContact CD-CH2 4.42Å; K1528-W1535 HydrophobicContact CD-CZ2 3.94Å; K1528-W1535 HydrophobicContact CG-CD2 4.47Å; W1535-I1578 HydrophobicContact CZ2-CG2 4.29Å; W1535-V1583 HydrophobicContact CH2-CG1 3.91Å; W1535-V1583 HydrophobicContact CH2-CG2 3.69Å; W1535-V1583 HydrophobicContact CZ2-CG2 4.16Å; W1535-F1594 HydrophobicContact CH2-CB 4.09Å; W1535-F1594 HydrophobicContact CZ3-CB 4.29Å; W1535-R1596 HydrophobicContact CE3-CB 4.27Å; W1535-R1596 HydrophobicContact CH2-CB 4.16Å; W1535-R1596 HydrophobicContact CZ3-CB 3.79Å | ||
| 1536 | Q | 91.8 | Very high | 89.8 | Confident | 88 Ų | 88 | 44.1 Ų | 44.1 | 41% | 0.411 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 112.1 | 177.1 | -66.5 | 173 | -23.5 | 0 | 0 | 109.1 | L1526 R1527 L1538 | L1526-Q1536 CarbonylContact C-O 3.55Å; L1526-Q1536 WeakPolarHBondContact CA-O 3.38Å; R1527-Q1536 PolarHBondContact N-O 3.2Å; R1527-Q1536 PolarHBondContact O-N 2.97Å; Q1536-L1538 HydrophobicContact CB-CD1 4.36Å; Q1536-L1538 HydrophobicContact CB-CG 4.26Å; Q1536-L1538 PolarHBondContact O-N 3.46Å |
| 1537 | R | 93.7 | Very high | 89.8 | Confident | 112 Ų | 112 | 42.8 Ų | 42.8 | 42% | 0.423 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 121.9 | 169.5 | -173.6 | 174.9 | -178.2 | -100.2 | 4.6 | 108.8 | Y1524 L1525 L1526 E1598 | Y1524-R1537 HydrophobicContact CD1-CG 4.02Å; Y1524-R1537 VanDerWaalsContact CD1-CZ 3.49Å; Y1524-R1537 VanDerWaalsContact CG-CZ 3.44Å; L1525-R1537 WeakPolarHBondContact O-CA 3.47Å; L1526-R1537 HydrophobicContact CG-CB 4.26Å; R1537-E1598 IonicContact CZ-OE1 3.81Å; R1537-E1598 IonicContact NE-OE1 2.74Å; R1537-E1598 PolarHBondContact NE-OE1 2.99Å; R1537-E1598 IonicContact NH2-OE1 3.13Å; R1537-E1598 PolarHBondContact NH2-OE1 2.71Å |
| 1538 | L | 95.7 | Very high | 89.9 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.6 | -176.6 | -65.1 | 171.5 | 0 | 0 | 0 | 109.2 | Y1524 L1525 R1527 Q1536 V1540 F1549 L1559 | Y1524-L1538 WeakPolarHBondContact CA-O 3.22Å; Y1524-L1538 WeakPolarHBondContact CD1-O 3.48Å; L1525-L1538 PolarHBondContact N-O 3.35Å; L1525-L1538 PolarHBondContact O-N 3.26Å; R1527-L1538 HydrophobicContact CB-CD1 4.08Å; Q1536-L1538 HydrophobicContact CB-CD1 4.36Å; Q1536-L1538 HydrophobicContact CB-CG 4.26Å; Q1536-L1538 PolarHBondContact O-N 3.46Å; L1538-V1540 HydrophobicContact CB-CG2 4.31Å; L1538-F1549 HydrophobicContact CD1-CB 4.36Å; L1538-F1549 HydrophobicContact CD1-CD1 4.34Å; L1538-L1559 HydrophobicContact CD2-CD1 4.23Å |
| 1539 | W | 96.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 128.6 | 162.9 | 176.7 | -100.7 | 0 | 0 | 0 | 108.2 | M1069 Y1524 Y1550 | M1069-W1539 HydrophobicContact CB-CH2 3.62Å; M1069-W1539 HydrophobicContact CB-CZ3 4.14Å; M1069-W1539 HydrophobicContact CE-CZ3 4.45Å; M1069-W1539 HydrophobicContact CG-CH2 3.74Å; M1069-W1539 HydrophobicContact CG-CZ3 3.8Å; M1069-W1539 WeakPolarHBondContact O-CH2 3.3Å; M1069-W1539 WeakPolarHBondContact O-CZ2 3.33Å; M1069-W1539 HydrophobicContact SD-CZ3 4.16Å; Y1524-W1539 HydrophobicContact CD1-CB 4.28Å; Y1524-W1539 HydrophobicContact CD1-CE3 4.4Å; Y1524-W1539 AromaticContact CD2-CE3 3.67Å; Y1524-W1539 HydrophobicContact CD2-CE3 3.67Å; Y1524-W1539 AromaticContact CD2-CZ3 3.96Å; Y1524-W1539 HydrophobicContact CD2-CZ3 3.96Å; Y1524-W1539 HydrophobicContact CE1-CB 3.94Å; Y1524-W1539 HydrophobicContact CE1-CE3 4.38Å; Y1524-W1539 AromaticContact CE2-CE3 3.64Å; Y1524-W1539 HydrophobicContact CE2-CE3 3.64Å; Y1524-W1539 AromaticContact CE2-CZ3 4Å; Y1524-W1539 HydrophobicContact CE2-CZ3 4Å; Y1524-W1539 HydrophobicContact CG-CE3 4.07Å; W1539-Y1550 AromaticContact CD1-CD2 3.79Å; W1539-Y1550 PolarHBondContact N-O 3.2Å; W1539-Y1550 PolarHBondContact O-N 3.31Å |
| 1540 | V | 96.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.2 | -174.1 | -167.3 | 0 | 0 | 0 | 0 | 109.1 | S1522 G1523 L1525 L1538 L1547 F1548 F1549 W1606 | S1522-V1540 CarbonylContact C-O 3.51Å; S1522-V1540 VanDerWaalsContact CA-O 3.28Å; S1522-V1540 WeakPolarHBondContact CA-O 3.49Å; G1523-V1540 PolarHBondContact N-O 3.1Å; G1523-V1540 PolarHBondContact O-N 3.24Å; L1525-V1540 HydrophobicContact CB-CG2 3.9Å; L1525-V1540 HydrophobicContact CD1-CB 4.29Å; L1525-V1540 HydrophobicContact CD1-CG1 4.49Å; L1525-V1540 HydrophobicContact CD1-CG2 4.12Å; L1525-V1540 HydrophobicContact CG-CG2 4.29Å; L1538-V1540 HydrophobicContact CB-CG2 4.31Å; V1540-L1547 HydrophobicContact CG1-CB 4.27Å; V1540-L1547 HydrophobicContact CG1-CD2 3.87Å; V1540-F1548 WeakPolarHBondContact CA-O 3.37Å; V1540-F1549 HydrophobicContact CB-CD1 4.5Å; V1540-F1549 HydrophobicContact CG1-CD1 3.96Å; V1540-F1549 HydrophobicContact CG1-CE1 3.82Å; V1540-F1549 HydrophobicContact CG2-CD1 3.95Å; V1540-F1549 HydrophobicContact CG2-CE1 4.26Å; V1540-W1606 HydrophobicContact CB-CH2 3.87Å; V1540-W1606 HydrophobicContact CB-CZ2 4.18Å; V1540-W1606 HydrophobicContact CG1-CH2 3.79Å; V1540-W1606 HydrophobicContact CG1-CZ3 4.3Å |
| 1541 | V | 96 | Very high | 91 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.6 | 174.8 | 176.5 | 0 | 0 | 0 | 0 | 108.4 | T1073 T1543 L1547 F1548 Y1550 | T1073-V1541 HydrophobicContact CG2-CB 4.42Å; T1073-V1541 HydrophobicContact CG2-CG1 3.72Å; T1073-V1541 HydrophobicContact CG2-CG2 3.78Å; V1541-T1543 HydrophobicContact CG1-CG2 4.01Å; V1541-L1547 CarbonylContact O-C 3.58Å; V1541-L1547 WeakPolarHBondContact O-CA 3.42Å; V1541-F1548 HydrophobicContact CB-CB 4.41Å; V1541-F1548 PolarHBondContact N-O 3.13Å; V1541-F1548 PolarHBondContact O-N 3.39Å; V1541-Y1550 HydrophobicContact CB-CE2 4.2Å; V1541-Y1550 HydrophobicContact CG2-CD2 4.2Å; V1541-Y1550 HydrophobicContact CG2-CE2 3.77Å |
| 1542 | F | 94.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 114.8 | 174.5 | 179.7 | -127.7 | 0 | 0 | 0 | 110.5 | Y1519 Q1520 T1521 L1545 C1546 L1547 L1564 W1606 L1610 A1613 | Y1519-F1542 WeakPolarHBondContact O-CD1 3.45Å; Y1519-F1542 WeakPolarHBondContact O-CE1 3.47Å; Q1520-F1542 WeakPolarHBondContact CA-O 3.33Å; Q1520-F1542 WeakPolarHBondContact CB-O 3.27Å; T1521-F1542 HydrophobicContact CG2-CB 3.97Å; T1521-F1542 HydrophobicContact CG2-CD1 4.44Å; T1521-F1542 PolarHBondContact N-O 2.98Å; T1521-F1542 VanDerWaalsContact N-O 3.16Å; T1521-F1542 PolarHBondContact O-N 3.37Å; F1542-L1545 HydrophobicContact CZ-CD2 4.35Å; F1542-C1546 WeakPolarHBondContact CD2-O 3.37Å; F1542-L1547 HydrophobicContact CB-CD2 3.82Å; F1542-L1547 HydrophobicContact CD2-CD2 3.79Å; F1542-L1547 HydrophobicContact CD2-CG 4.47Å; F1542-L1547 HydrophobicContact CG-CD2 4.11Å; F1542-L1564 HydrophobicContact CD2-CD1 4.01Å; F1542-L1564 HydrophobicContact CE2-CD1 3.47Å; F1542-L1564 VanDerWaalsContact CE2-CD1 3.47Å; F1542-L1564 HydrophobicContact CE2-CG 4.35Å; F1542-L1564 HydrophobicContact CZ-CD1 4.21Å; F1542-W1606 HydrophobicContact CB-CH2 4.21Å; F1542-W1606 HydrophobicContact CB-CZ3 3.89Å; F1542-L1610 HydrophobicContact CD1-CD2 3.99Å; F1542-L1610 HydrophobicContact CD2-CD2 3.87Å; F1542-L1610 HydrophobicContact CE1-CD2 4.04Å; F1542-L1610 HydrophobicContact CE2-CD2 3.96Å; F1542-L1610 HydrophobicContact CG-CD2 3.91Å; F1542-L1610 HydrophobicContact CZ-CD2 4.03Å; F1542-A1613 HydrophobicContact CE1-CB 3.52Å; F1542-A1613 HydrophobicContact CZ-CB 3.5Å |
| 1543 | T | 93 | Very high | 92.2 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 150.2 | -179.5 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | Y1220 L1221 K1229 V1541 L1545 C1546 F1548 | Y1220-T1543 HydrophobicContact CE2-CG2 3.93Å; L1221-T1543 HydrophobicContact CD1-CG2 4.25Å; L1221-T1543 HydrophobicContact CD2-CG2 4.3Å; K1229-T1543 PolarHBondContact NZ-OG1 3.14Å; V1541-T1543 HydrophobicContact CG1-CG2 4.01Å; T1543-L1545 PolarHBondContact O-N 3Å; T1543-C1546 PolarHBondContact N-O 3.03Å; T1543-C1546 VanDerWaalsContact N-O 3.08Å; T1543-C1546 PolarHBondContact O-N 2.68Å; T1543-F1548 HydrophobicContact CG2-CD2 3.87Å; T1543-F1548 HydrophobicContact CG2-CE2 3.7Å |
| 1544 | Q | 89.5 | Confident | 93 | Very high | 53 Ų | 53 | 40.1 Ų | 40.1 | 25% | 0.248 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 47.8 | 179.6 | -65.1 | -64.2 | 6.4 | 0 | 0 | 113 | L1221 V1225 H1232 C1546 | L1221-Q1544 HydrophobicContact CD2-CB 4.48Å; L1221-Q1544 HydrophobicContact CD2-CG 4.43Å; V1225-Q1544 HydrophobicContact CG1-CG 3.99Å; H1232-Q1544 PolarHBondContact CE1-NE2 3.31Å; Q1544-C1546 PolarHBondContact O-N 2.95Å; Q1544-C1546 VanDerWaalsContact O-N 3.07Å |
| 1545 | L | 90 | Very high | 93.4 | Very high | 14 Ų | 14 | 40 Ų | 40 | 7% | 0.073 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 30.3 | -179.4 | -63.8 | 169.7 | 0 | 0 | 0 | 114.2 | L1508 A1516 F1542 T1543 L1564 L1565 A1613 | L1508-L1545 HydrophobicContact CD1-CD1 3.54Å; L1508-L1545 HydrophobicContact CD2-CD1 4.26Å; A1516-L1545 HydrophobicContact CB-CD1 4.25Å; A1516-L1545 HydrophobicContact CB-CD2 3.58Å; A1516-L1545 HydrophobicContact CB-CG 3.77Å; F1542-L1545 HydrophobicContact CZ-CD2 4.35Å; T1543-L1545 PolarHBondContact O-N 3Å; L1545-L1564 WeakPolarHBondContact O-CB 3.48Å; L1545-L1564 PolarHBondContact O-N 2.74Å; L1545-L1565 HydrophobicContact CB-CD2 4.33Å; L1545-L1565 HydrophobicContact CD1-CD2 3.73Å; L1545-A1613 HydrophobicContact CD2-CB 3.94Å; L1545-A1613 WeakPolarHBondContact CD2-O 3.42Å |
| 1546 | C | 92.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 42.5 Ų | 42.5 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 141.8 | -177.5 | -172.4 | 0 | 0 | 0 | 0 | 111.4 | F1542 T1543 Q1544 F1548 | F1542-C1546 WeakPolarHBondContact CD2-O 3.37Å; T1543-C1546 PolarHBondContact N-O 3.03Å; T1543-C1546 VanDerWaalsContact N-O 3.08Å; T1543-C1546 PolarHBondContact O-N 2.68Å; Q1544-C1546 PolarHBondContact O-N 2.95Å; Q1544-C1546 VanDerWaalsContact O-N 3.07Å; C1546-F1548 HydrophobicContact CB-CD2 4.42Å; C1546-F1548 HydrophobicContact CB-CE2 3.64Å; C1546-F1548 HydrophobicContact CB-CZ 3.93Å |
| 1547 | L | 93.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 131 | 168.9 | -64.5 | 175.3 | 0 | 0 | 0 | 110.1 | V1540 V1541 F1542 F1549 S1561 L1562 L1564 M1586 F1595 W1606 L1610 | V1540-L1547 HydrophobicContact CG1-CB 4.27Å; V1540-L1547 HydrophobicContact CG1-CD2 3.87Å; V1541-L1547 CarbonylContact O-C 3.58Å; V1541-L1547 WeakPolarHBondContact O-CA 3.42Å; F1542-L1547 HydrophobicContact CB-CD2 3.82Å; F1542-L1547 HydrophobicContact CD2-CD2 3.79Å; F1542-L1547 HydrophobicContact CD2-CG 4.47Å; F1542-L1547 HydrophobicContact CG-CD2 4.11Å; L1547-F1549 HydrophobicContact CB-CE1 4.07Å; L1547-F1549 HydrophobicContact CB-CE2 4.35Å; L1547-F1549 HydrophobicContact CB-CZ 3.72Å; L1547-F1549 HydrophobicContact CD1-CE1 4.4Å; L1547-F1549 HydrophobicContact CD1-CZ 4.16Å; L1547-S1561 CarbonylContact O-C 3.59Å; L1547-S1561 VanDerWaalsContact O-CA 3.23Å; L1547-S1561 WeakPolarHBondContact O-CA 3.37Å; L1547-L1562 HydrophobicContact CB-CB 4.37Å; L1547-L1562 PolarHBondContact N-O 2.9Å; L1547-L1562 PolarHBondContact O-N 3.37Å; L1547-L1564 HydrophobicContact CD1-CD2 4Å; L1547-L1564 HydrophobicContact CG-CD1 4.12Å; L1547-L1564 HydrophobicContact CG-CD2 4.01Å; L1547-L1564 HydrophobicContact CG-CG 4.32Å; L1547-M1586 HydrophobicContact CD1-CE 4.38Å; L1547-M1586 HydrophobicContact CD1-SD 3.97Å; L1547-F1595 HydrophobicContact CD1-CE2 4.38Å; L1547-F1595 HydrophobicContact CD1-CZ 4.25Å; L1547-W1606 HydrophobicContact CD2-CH2 4.39Å; L1547-W1606 HydrophobicContact CD2-CZ3 3.74Å; L1547-L1610 HydrophobicContact CD2-CD2 4.07Å |
| 1548 | F | 95.7 | Very high | 93.1 | Very high | 15 Ų | 15 | 36.9 Ų | 36.9 | 7% | 0.066 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.2 | 173.6 | -61.1 | -92.3 | 0 | 0 | 0 | 109.4 | Y1220 L1221 V1540 V1541 T1543 C1546 Y1550 P1558 | Y1220-F1548 AromaticContact CD2-CD1 3.6Å; Y1220-F1548 HydrophobicContact CD2-CD1 3.6Å; Y1220-F1548 HydrophobicContact CD2-CD2 4.01Å; Y1220-F1548 AromaticContact CD2-CE1 3.65Å; Y1220-F1548 HydrophobicContact CD2-CE1 3.65Å; Y1220-F1548 HydrophobicContact CD2-CE2 4.06Å; Y1220-F1548 AromaticContact CD2-CG 3.77Å; Y1220-F1548 HydrophobicContact CD2-CG 3.77Å; Y1220-F1548 AromaticContact CD2-CZ 3.88Å; Y1220-F1548 HydrophobicContact CD2-CZ 3.88Å; Y1220-F1548 HydrophobicContact CE2-CD1 4.28Å; Y1220-F1548 AromaticContact CE2-CD2 3.88Å; Y1220-F1548 HydrophobicContact CE2-CD2 3.88Å; Y1220-F1548 HydrophobicContact CE2-CE1 4.43Å; Y1220-F1548 HydrophobicContact CE2-CE2 4.03Å; Y1220-F1548 HydrophobicContact CE2-CG 4Å; Y1220-F1548 HydrophobicContact CE2-CZ 4.3Å; Y1220-F1548 WeakPolarHBondContact O-CE1 3.35Å; L1221-F1548 HydrophobicContact CD2-CE2 4.01Å; L1221-F1548 HydrophobicContact CD2-CZ 3.73Å; V1540-F1548 WeakPolarHBondContact CA-O 3.37Å; V1541-F1548 HydrophobicContact CB-CB 4.41Å; V1541-F1548 PolarHBondContact N-O 3.13Å; V1541-F1548 PolarHBondContact O-N 3.39Å; T1543-F1548 HydrophobicContact CG2-CD2 3.87Å; T1543-F1548 HydrophobicContact CG2-CE2 3.7Å; C1546-F1548 HydrophobicContact CB-CD2 4.42Å; C1546-F1548 HydrophobicContact CB-CE2 3.64Å; C1546-F1548 HydrophobicContact CB-CZ 3.93Å; F1548-Y1550 HydrophobicContact CB-CE2 3.74Å; F1548-P1558 HydrophobicContact CB-CB 4.3Å; F1548-P1558 HydrophobicContact CD1-CG 4.34Å |
| 1549 | F | 95.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 131.9 | -173.4 | -54.1 | -69.3 | 0 | 0 | 0 | 111.3 | L1538 V1540 L1547 P1558 L1559 A1560 L1562 F1595 | L1538-F1549 HydrophobicContact CD1-CB 4.36Å; L1538-F1549 HydrophobicContact CD1-CD1 4.34Å; V1540-F1549 HydrophobicContact CB-CD1 4.5Å; V1540-F1549 HydrophobicContact CG1-CD1 3.96Å; V1540-F1549 HydrophobicContact CG1-CE1 3.82Å; V1540-F1549 HydrophobicContact CG2-CD1 3.95Å; V1540-F1549 HydrophobicContact CG2-CE1 4.26Å; L1547-F1549 HydrophobicContact CB-CE1 4.07Å; L1547-F1549 HydrophobicContact CB-CE2 4.35Å; L1547-F1549 HydrophobicContact CB-CZ 3.72Å; L1547-F1549 HydrophobicContact CD1-CE1 4.4Å; L1547-F1549 HydrophobicContact CD1-CZ 4.16Å; F1549-P1558 CarbonylContact O-C 3.53Å; F1549-P1558 WeakPolarHBondContact O-CA 3.45Å; F1549-L1559 WeakPolarHBondContact O-CB 3.4Å; F1549-L1559 PolarHBondContact O-N 3.2Å; F1549-A1560 HydrophobicContact CD2-CB 4.15Å; F1549-A1560 PolarHBondContact N-O 2.83Å; F1549-L1562 HydrophobicContact CE2-CB 3.73Å; F1549-L1562 HydrophobicContact CZ-CB 4.07Å; F1549-L1562 HydrophobicContact CZ-CD2 4.23Å; F1549-F1595 AromaticContact CE1-CE1 3.55Å; F1549-F1595 HydrophobicContact CE1-CE1 3.55Å; F1549-F1595 AromaticContact CE1-CZ 3.79Å; F1549-F1595 HydrophobicContact CE1-CZ 3.79Å; F1549-F1595 HydrophobicContact CZ-CE1 4.04Å; F1549-F1595 AromaticContact CZ-CZ 3.77Å; F1549-F1595 HydrophobicContact CZ-CZ 3.77Å |
| 1550 | Y | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 157.4 | 177.4 | -54.7 | -104.8 | 0 | 0 | 0 | 108.8 | R1076 W1539 V1541 F1548 S1552 D1555 C1557 P1558 | R1076-Y1550 PolarHBondContact NH2-OH 2.91Å; W1539-Y1550 AromaticContact CD1-CD2 3.79Å; W1539-Y1550 PolarHBondContact N-O 3.2Å; W1539-Y1550 PolarHBondContact O-N 3.31Å; V1541-Y1550 HydrophobicContact CB-CE2 4.2Å; V1541-Y1550 HydrophobicContact CG2-CD2 4.2Å; V1541-Y1550 HydrophobicContact CG2-CE2 3.77Å; F1548-Y1550 HydrophobicContact CB-CE2 3.74Å; Y1550-S1552 WeakPolarHBondContact CB-O 3.34Å; Y1550-D1555 HydrophobicContact CD1-CB 3.93Å; Y1550-C1557 VanDerWaalsContact CD1-O 3.26Å; Y1550-C1557 WeakPolarHBondContact CD1-O 3.24Å; Y1550-P1558 HydrophobicContact CD1-CB 4.26Å; Y1550-P1558 VanDerWaalsContact CE1-CA 3.43Å; Y1550-P1558 HydrophobicContact CE1-CB 3.77Å; Y1550-P1558 HydrophobicContact CE1-CG 4.34Å; Y1550-P1558 HydrophobicContact CE2-CB 4.05Å |
| 1551 | K | 92.2 | Very high | 92.4 | Very high | 161 Ų | 161 | 46.8 Ų | 46.8 | 70% | 0.7 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -75.2 | -37.6 | 174.2 | -168.6 | -177.4 | 176.5 | -173.8 | 0 | 110.4 | D1555 L1559 | K1551-D1555 VanDerWaalsContact CA-OD2 3.27Å; K1551-D1555 WeakPolarHBondContact CA-OD2 3.24Å; K1551-D1555 WeakPolarHBondContact CB-OD2 3.34Å; K1551-D1555 PolarHBondContact N-OD2 3.16Å; K1551-L1559 HydrophobicContact CB-CD1 4.18Å |
| 1552 | S | 93.3 | Very high | 92.2 | Very high | 29 Ų | 29 | 47.3 Ų | 47.3 | 20% | 0.203 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -139.5 | 163 | 177.8 | -165.1 | 0 | 0 | 0 | 0 | 112 | Y1524 Y1550 R1554 D1555 | Y1524-S1552 PolarHBondContact OH-OG 3.39Å; Y1550-S1552 WeakPolarHBondContact CB-O 3.34Å; S1552-R1554 PolarHBondContact O-N 3.31Å; S1552-D1555 WeakPolarHBondContact CB-OD1 3.42Å; S1552-D1555 PolarHBondContact N-OD1 2.85Å; S1552-D1555 PolarHBondContact N-OD2 3.36Å; S1552-D1555 WeakPolarHBondContact O-CB 3.34Å; S1552-D1555 PolarHBondContact O-N 2.65Å |
| 1553 | Y | 92.2 | Very high | 92 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 20% | 0.2 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -18 | 169.6 | 76.5 | -88 | 0 | 0 | 0 | 112.8 | R1072 Y1524 D1555 | R1072-Y1553 HydrophobicContact CG-CD2 4.31Å; R1072-Y1553 VanDerWaalsContact NH1-CZ 3.31Å; Y1524-Y1553 HydrophobicContact CE2-CD1 4.42Å; Y1553-D1555 VanDerWaalsContact C-N 3.32Å |
| 1554 | R | 91.5 | Very high | 91.8 | Very high | 161 Ų | 161 | 48.8 Ų | 48.8 | 61% | 0.608 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -3.9 | 177.2 | -56.1 | -172.7 | -173.6 | -164.3 | 2.2 | 113.3 | D1006 S1552 | D1006-R1554 IonicContact OD2-CZ 2.63Å; D1006-R1554 IonicContact OD2-NH2 2.97Å; D1006-R1554 PolarHBondContact OD2-NH2 2.89Å; S1552-R1554 PolarHBondContact O-N 3.31Å |
| 1555 | D | 91.4 | Very high | 91.7 | Very high | 42 Ų | 42 | 47 Ų | 47 | 23% | 0.225 | 24% | 0.243 | C | C | . | . | trans | -79.7 | 134 | 179.8 | -57 | -6.7 | 0 | 0 | 0 | 110.4 | R1076 Y1550 K1551 S1552 Y1553 | R1076-D1555 PolarHBondContact NH1-O 2.78Å; Y1550-D1555 HydrophobicContact CD1-CB 3.93Å; K1551-D1555 VanDerWaalsContact CA-OD2 3.27Å; K1551-D1555 WeakPolarHBondContact CA-OD2 3.24Å; K1551-D1555 WeakPolarHBondContact CB-OD2 3.34Å; K1551-D1555 PolarHBondContact N-OD2 3.16Å; S1552-D1555 WeakPolarHBondContact CB-OD1 3.42Å; S1552-D1555 PolarHBondContact N-OD1 2.85Å; S1552-D1555 PolarHBondContact N-OD2 3.36Å; S1552-D1555 WeakPolarHBondContact O-CB 3.34Å; S1552-D1555 PolarHBondContact O-N 2.65Å; Y1553-D1555 VanDerWaalsContact C-N 3.32Å | ||
| 1556 | E | 87.1 | Confident | 91.4 | Very high | 125 Ų | 125 | 47.2 Ų | 47.2 | 58% | 0.584 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -77.8 | -44.7 | -179.1 | -65.6 | 173.1 | 159.4 | 0 | 0 | 112.1 | ||
| 1557 | C | 88.6 | Confident | 91.2 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 36% | 0.358 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -109.9 | 146.7 | -178.2 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | K1217 Y1550 | K1217-C1557 VanDerWaalsContact C-CB 3.47Å; K1217-C1557 HydrophobicContact CB-CB 3.65Å; K1217-C1557 WeakPolarHBondContact O-CB 3.35Å; Y1550-C1557 VanDerWaalsContact CD1-O 3.26Å; Y1550-C1557 WeakPolarHBondContact CD1-O 3.24Å |
| 1558 | P | 92 | Very high | 90.8 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 20% | 0.195 | 27% | 0.268 | C | S | . | . | trans | -74.8 | 147.5 | 179.1 | 29.2 | -31.9 | 0 | 0 | 0 | 112.1 | K1217 F1548 F1549 Y1550 | K1217-P1558 WeakPolarHBondContact O-CD 3.15Å; F1548-P1558 HydrophobicContact CB-CB 4.3Å; F1548-P1558 HydrophobicContact CD1-CG 4.34Å; F1549-P1558 CarbonylContact O-C 3.53Å; F1549-P1558 WeakPolarHBondContact O-CA 3.45Å; Y1550-P1558 HydrophobicContact CD1-CB 4.26Å; Y1550-P1558 VanDerWaalsContact CE1-CA 3.43Å; Y1550-P1558 HydrophobicContact CE1-CB 3.77Å; Y1550-P1558 HydrophobicContact CE1-CG 4.34Å; Y1550-P1558 HydrophobicContact CE2-CB 4.05Å | ||
| 1559 | L | 90.6 | Very high | 90.4 | Very high | 115 Ų | 115 | 51 Ų | 51 | 60% | 0.602 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -70.4 | -36.8 | 170.1 | -56.4 | 174.8 | 0 | 0 | 0 | 112 | L1538 F1549 K1551 | L1538-L1559 HydrophobicContact CD2-CD1 4.23Å; F1549-L1559 WeakPolarHBondContact O-CB 3.4Å; F1549-L1559 PolarHBondContact O-N 3.2Å; K1551-L1559 HydrophobicContact CB-CD1 4.18Å |
| 1560 | A | 92.1 | Very high | 90 | Very high | 37 Ų | 37 | 52.1 Ų | 52.1 | 31% | 0.306 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 162.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F1549 | F1549-A1560 HydrophobicContact CD2-CB 4.15Å; F1549-A1560 PolarHBondContact N-O 2.83Å |
| 1561 | S | 92.4 | Very high | 89.5 | Confident | 72 Ų | 72 | 56.3 Ų | 56.3 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 163 | 172 | 65.4 | 0 | 0 | 0 | 0 | 112 | L1547 | L1547-S1561 CarbonylContact O-C 3.59Å; L1547-S1561 VanDerWaalsContact O-CA 3.23Å; L1547-S1561 WeakPolarHBondContact O-CA 3.37Å |
| 1562 | L | 91.7 | Very high | 89.4 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 96.3 | 177.8 | -179.2 | 66.9 | 0 | 0 | 0 | 109.9 | L1547 F1549 L1564 Y1567 Y1593 | L1547-L1562 HydrophobicContact CB-CB 4.37Å; L1547-L1562 PolarHBondContact N-O 2.9Å; L1547-L1562 PolarHBondContact O-N 3.37Å; F1549-L1562 HydrophobicContact CE2-CB 3.73Å; F1549-L1562 HydrophobicContact CZ-CB 4.07Å; F1549-L1562 HydrophobicContact CZ-CD2 4.23Å; L1562-L1564 HydrophobicContact CD2-CD2 4.46Å; L1562-L1564 HydrophobicContact CG-CD2 4.29Å; L1562-L1564 WeakPolarHBondContact O-CD2 3.26Å; L1562-Y1567 HydrophobicContact CD1-CE2 4.1Å; L1562-Y1593 HydrophobicContact CD1-CE2 4.05Å; L1562-Y1593 HydrophobicContact CD2-CD2 4.07Å; L1562-Y1593 HydrophobicContact CD2-CE2 4.1Å; L1562-Y1593 HydrophobicContact CD2-CG 4.37Å |
| 1563 | P | 91 | Very high | 89 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 141.3 | 172.5 | -21.6 | 32.5 | 0 | 0 | 0 | 110.4 | V1500 R1504 Y1567 | V1500-P1563 HydrophobicContact CG1-CB 3.85Å; V1500-P1563 HydrophobicContact CG2-CB 3.94Å; V1500-P1563 HydrophobicContact CG2-CG 4.13Å; R1504-P1563 VanDerWaalsContact CZ-O 3.25Å; R1504-P1563 PolarHBondContact NH1-O 3.5Å; R1504-P1563 PolarHBondContact NH2-O 3.3Å; P1563-Y1567 WeakPolarHBondContact O-CE2 3.32Å |
| 1564 | L | 89.1 | Confident | 88.6 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | trans | -103.4 | -12.1 | -169.3 | -60.9 | -168.2 | 0 | 0 | 0 | 115.7 | F1542 L1545 L1547 L1562 G1566 Y1567 M1586 L1610 | F1542-L1564 HydrophobicContact CD2-CD1 4.01Å; F1542-L1564 HydrophobicContact CE2-CD1 3.47Å; F1542-L1564 VanDerWaalsContact CE2-CD1 3.47Å; F1542-L1564 HydrophobicContact CE2-CG 4.35Å; F1542-L1564 HydrophobicContact CZ-CD1 4.21Å; L1545-L1564 WeakPolarHBondContact O-CB 3.48Å; L1545-L1564 PolarHBondContact O-N 2.74Å; L1547-L1564 HydrophobicContact CD1-CD2 4Å; L1547-L1564 HydrophobicContact CG-CD1 4.12Å; L1547-L1564 HydrophobicContact CG-CD2 4.01Å; L1547-L1564 HydrophobicContact CG-CG 4.32Å; L1562-L1564 HydrophobicContact CD2-CD2 4.46Å; L1562-L1564 HydrophobicContact CG-CD2 4.29Å; L1562-L1564 WeakPolarHBondContact O-CD2 3.26Å; L1564-G1566 PolarHBondContact O-N 2.92Å; L1564-G1566 VanDerWaalsContact O-N 3.15Å; L1564-Y1567 WeakPolarHBondContact O-CB 3.38Å; L1564-Y1567 PolarHBondContact O-N 2.9Å; L1564-M1586 HydrophobicContact CD1-CE 3.88Å; L1564-M1586 HydrophobicContact CD2-CE 3.56Å; L1564-M1586 HydrophobicContact CG-CE 4.32Å; L1564-L1610 HydrophobicContact CD1-CD2 3.6Å | ||
| 1565 | L | 87.4 | Confident | 88.3 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 123.2 | 179.7 | -62.2 | -177.8 | 0 | 0 | 0 | 111.3 | V1500 R1504 F1506 L1508 L1545 Y1567 | V1500-L1565 HydrophobicContact CB-CD1 4.06Å; V1500-L1565 HydrophobicContact CG1-CB 3.93Å; V1500-L1565 HydrophobicContact CG1-CD1 3.84Å; V1500-L1565 HydrophobicContact CG1-CG 4.14Å; R1504-L1565 WeakPolarHBondContact CD-O 3.43Å; R1504-L1565 PolarHBondContact NH1-O 2.87Å; F1506-L1565 HydrophobicContact CD1-CB 3.78Å; F1506-L1565 HydrophobicContact CD1-CD1 4.33Å; F1506-L1565 HydrophobicContact CD1-CD2 4.05Å; F1506-L1565 HydrophobicContact CD1-CG 4.27Å; F1506-L1565 HydrophobicContact CE1-CB 4.09Å; F1506-L1565 HydrophobicContact CE1-CD2 3.91Å; F1506-L1565 HydrophobicContact CG-CB 4.27Å; L1508-L1565 HydrophobicContact CD1-CD2 4.26Å; L1545-L1565 HydrophobicContact CB-CD2 4.33Å; L1545-L1565 HydrophobicContact CD1-CD2 3.73Å; L1565-Y1567 PolarHBondContact O-N 3.33Å |
| 1566 | G | 82.8 | Confident | 88.1 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -1.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | L1564 F1588 | L1564-G1566 PolarHBondContact O-N 2.92Å; L1564-G1566 VanDerWaalsContact O-N 3.15Å; G1566-F1588 WeakPolarHBondContact O-CD2 3.32Å |
| 1567 | Y | 88 | Confident | 87.9 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 133.3 | 168.6 | -86.8 | -95 | 0 | 0 | 0 | 110.7 | L1562 P1563 L1564 L1565 M1586 F1588 H1591 Y1593 | L1562-Y1567 HydrophobicContact CD1-CE2 4.1Å; P1563-Y1567 WeakPolarHBondContact O-CE2 3.32Å; L1564-Y1567 WeakPolarHBondContact O-CB 3.38Å; L1564-Y1567 PolarHBondContact O-N 2.9Å; L1565-Y1567 PolarHBondContact O-N 3.33Å; Y1567-M1586 HydrophobicContact CD1-CB 3.94Å; Y1567-F1588 HydrophobicContact CD1-CB 3.65Å; Y1567-F1588 HydrophobicContact CD2-CB 3.79Å; Y1567-F1588 HydrophobicContact CD2-CG 4.43Å; Y1567-F1588 HydrophobicContact CE1-CB 3.5Å; Y1567-F1588 HydrophobicContact CE2-CB 3.66Å; Y1567-F1588 HydrophobicContact CE2-CD1 4.47Å; Y1567-F1588 HydrophobicContact CE2-CG 4.24Å; Y1567-F1588 HydrophobicContact CG-CB 3.77Å; Y1567-F1588 VanDerWaalsContact CZ-CB 3.49Å; Y1567-H1591 HydrophobicContact CE1-CB 4.31Å; Y1567-H1591 WeakPolarHBondContact OH-CB 3.45Å; Y1567-Y1593 HydrophobicContact CE1-CD2 4.01Å; Y1567-Y1593 HydrophobicContact CE1-CE2 4.13Å |
| 1568 | I | 85 | Confident | 87.6 | Confident | 90 Ų | 90 | 50.8 Ų | 50.8 | 46% | 0.462 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 125.3 | 170.1 | -56.9 | 174.6 | 0 | 0 | 0 | 108.2 | M1586 Q1587 L1620 | I1568-M1586 WeakPolarHBondContact O-CA 3.34Å; I1568-Q1587 PolarHBondContact N-O 2.93Å; I1568-Q1587 PolarHBondContact O-N 2.98Å; I1568-L1620 HydrophobicContact CG2-CD1 4.37Å |
| 1569 | I | 87.3 | Confident | 86.9 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.1 | 174.4 | -57.7 | 161.1 | 0 | 0 | 0 | 108.3 | M1586 L1610 A1614 | I1569-M1586 HydrophobicContact CG1-CE 4.15Å; I1569-L1610 HydrophobicContact CD1-CB 3.63Å; I1569-L1610 WeakPolarHBondContact CD1-O 3.27Å; I1569-A1614 HydrophobicContact CD1-CB 4.19Å |
| 1570 | S | 87.3 | Confident | 86.5 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 19% | 0.189 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 169.2 | -173.8 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | K1585 | S1570-K1585 PolarHBondContact N-O 3.43Å; S1570-K1585 PolarHBondContact O-N 3.34Å; S1570-K1585 WeakPolarHBondContact OG-CB 3.45Å; S1570-K1585 PolarHBondContact OG-O 3.02Å |
| 1571 | K | 86.3 | Confident | 86.2 | Confident | 89 Ų | 89 | 66 Ų | 66 | 39% | 0.387 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 149 | 162.3 | -65.9 | -179.5 | -178.2 | 178.4 | 0 | 109 | T1625 | K1571-T1625 PolarHBondContact NZ-O 3.45Š|
| 1572 | P | 89.5 | Confident | 86.1 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 140.5 | 173.9 | -25.3 | 33.7 | 0 | 0 | 0 | 112.4 | D1576 I1578 V1583 K1585 F1594 | P1572-D1576 HydrophobicContact CB-CB 4.41Å; P1572-I1578 HydrophobicContact CB-CB 4.32Å; P1572-V1583 WeakPolarHBondContact CD-O 3.34Å; P1572-V1583 HydrophobicContact CG-CB 3.96Å; P1572-V1583 HydrophobicContact CG-CG1 3.55Å; P1572-K1585 HydrophobicContact CG-CB 4.45Å; P1572-F1594 HydrophobicContact CB-CD1 4.46Å; P1572-F1594 HydrophobicContact CB-CE1 4.14Å; P1572-F1594 HydrophobicContact CG-CD1 4.07Å; P1572-F1594 HydrophobicContact CG-CE1 4.22Å |
| 1573 | G | 85.6 | Confident | 86.1 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 18% | 0.175 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -89.6 | 165.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1575 D1576 | G1573-E1575 WeakPolarHBondContact CA-OE2 3.38Å; G1573-E1575 PolarHBondContact O-N 3.49Å; G1573-E1575 VanDerWaalsContact O-N 3.1Å; G1573-D1576 PolarHBondContact N-OD2 3.27Å; G1573-D1576 PolarHBondContact O-N 3.27Å |
| 1574 | P | 83.9 | Confident | 86.2 | Confident | 131 Ų | 131 | 62.8 Ų | 62.8 | 85% | 0.851 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -54.3 | -29.3 | 175.5 | -24.7 | 34.7 | 0 | 0 | 0 | 113.3 | D1576 | P1574-D1576 VanDerWaalsContact C-N 3.3Å; P1574-D1576 PolarHBondContact O-N 3.09Å |
| 1575 | E | 85.6 | Confident | 86.3 | Confident | 111 Ų | 111 | 63.3 Ų | 63.3 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -72.1 | -16.8 | 178.5 | 80 | -69.1 | 169.9 | 0 | 0 | 114.6 | G1573 K1585 | G1573-E1575 WeakPolarHBondContact CA-OE2 3.38Å; G1573-E1575 PolarHBondContact O-N 3.49Å; G1573-E1575 VanDerWaalsContact O-N 3.1Å; E1575-K1585 IonicContact OE1-NZ 3.27Å; E1575-K1585 PolarHBondContact OE1-NZ 3.42Å |
| 1576 | D | 86 | Confident | 86.5 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.064 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -85.3 | -10.6 | -179.2 | -65.5 | -48.4 | 0 | 0 | 0 | 113.6 | K1530 P1572 G1573 P1574 I1578 K1585 F1594 | K1530-D1576 WeakPolarHBondContact CE-OD1 3.37Å; K1530-D1576 IonicContact NZ-OD1 2.71Å; K1530-D1576 PolarHBondContact NZ-OD1 2.97Å; P1572-D1576 HydrophobicContact CB-CB 4.41Å; G1573-D1576 PolarHBondContact N-OD2 3.27Å; G1573-D1576 PolarHBondContact O-N 3.27Å; P1574-D1576 VanDerWaalsContact C-N 3.3Å; P1574-D1576 PolarHBondContact O-N 3.09Å; D1576-I1578 VanDerWaalsContact C-N 3.28Å; D1576-I1578 PolarHBondContact O-N 3.19Å; D1576-K1585 IonicContact OD1-NZ 3.16Å; D1576-K1585 VanDerWaalsContact OD2-CD 3.29Å; D1576-K1585 WeakPolarHBondContact OD2-CD 3.31Å; D1576-K1585 VanDerWaalsContact OD2-CE 3.24Å; D1576-K1585 WeakPolarHBondContact OD2-CE 3.35Å; D1576-K1585 IonicContact OD2-NZ 2.63Å; D1576-K1585 PolarHBondContact OD2-NZ 3.32Å; D1576-F1594 HydrophobicContact CB-CE1 4Å; D1576-F1594 HydrophobicContact CB-CZ 3.7Å; D1576-F1594 VanDerWaalsContact CG-CZ 3.46Å |
| 1577 | Q | 84.3 | Confident | 86.8 | Confident | 173 Ų | 173 | 64.9 Ų | 64.9 | 81% | 0.808 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 34.2 | 178.6 | -53 | -177.6 | 7.2 | 0 | 0 | 114.2 | ||
| 1578 | I | 82.7 | Confident | 86.7 | Confident | 27 Ų | 27 | 66.2 Ų | 66.2 | 14% | 0.138 | 32% | 0.322 | C | S | . | . | trans | -105.4 | 101.1 | 176.4 | -63.5 | 179.4 | 0 | 0 | 0 | 110.1 | K1528 W1535 P1572 D1576 R1580 V1583 F1594 | K1528-I1578 HydrophobicContact CD-CD1 4.44Å; W1535-I1578 HydrophobicContact CZ2-CG2 4.29Å; P1572-I1578 HydrophobicContact CB-CB 4.32Å; D1576-I1578 VanDerWaalsContact C-N 3.28Å; D1576-I1578 PolarHBondContact O-N 3.19Å; I1578-R1580 VanDerWaalsContact C-N 3.31Å; I1578-R1580 HydrophobicContact CG2-CB 4.19Å; I1578-R1580 PolarHBondContact O-N 3.25Å; I1578-V1583 HydrophobicContact CG2-CB 4.43Å; I1578-V1583 HydrophobicContact CG2-CG1 4.33Å; I1578-V1583 HydrophobicContact CG2-CG2 4.08Å; I1578-F1594 HydrophobicContact CD1-CB 3.91Å; I1578-F1594 HydrophobicContact CD1-CD1 3.42Å; I1578-F1594 VanDerWaalsContact CD1-CD1 3.42Å; I1578-F1594 HydrophobicContact CD1-CD2 3.59Å; I1578-F1594 HydrophobicContact CD1-CE1 3.73Å; I1578-F1594 HydrophobicContact CD1-CE2 3.9Å; I1578-F1594 HydrophobicContact CD1-CG 3.33Å; I1578-F1594 HydrophobicContact CD1-CZ 3.97Å | ||
| 1579 | R | 77 | Confident | 86.8 | Confident | 246 Ų | 246 | 68.6 Ų | 68.6 | 93% | 0.928 | 33% | 0.329 | S | S | * | . | trans | -92.2 | 40.6 | 171.7 | -58.8 | -175.9 | -179.7 | -175.4 | -0.5 | 112.4 | ||||
| 1580 | R | 82.5 | Confident | 86.8 | Confident | 136 Ų | 136 | 74.9 Ų | 74.9 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | trans | -123.8 | 129.5 | 178.8 | -71.1 | -63.4 | -165.4 | -165.7 | 1.2 | 109.3 | I1578 V1583 | I1578-R1580 VanDerWaalsContact C-N 3.31Å; I1578-R1580 HydrophobicContact CG2-CB 4.19Å; I1578-R1580 PolarHBondContact O-N 3.25Å; R1580-V1583 HydrophobicContact CB-CG2 4.2Å; R1580-V1583 WeakPolarHBondContact O-CG2 3.35Å | ||
| 1581 | D | 84.4 | Confident | 86.9 | Confident | 120 Ų | 120 | 76.4 Ų | 76.4 | 64% | 0.642 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -71.5 | 165.3 | 179 | -45.2 | -69.1 | 0 | 0 | 0 | 112.1 | V1583 R1596 | D1581-V1583 VanDerWaalsContact C-N 3.28Å; D1581-V1583 PolarHBondContact O-N 3.36Å; D1581-R1596 PolarHBondContact O-NE 2.87Å |
| 1582 | N | 90.8 | Very high | 87.1 | Confident | 41 Ų | 41 | 72.7 Ų | 72.7 | 22% | 0.219 | 35% | 0.352 | C | S | . | . | S | Bend | trans | 62 | 32 | 178.6 | -53.7 | -29.6 | 0 | 0 | 0 | 113.4 | R1596 G1597 R1600 F1603 | N1582-R1596 VanDerWaalsContact O-CA 3.27Å; N1582-R1596 WeakPolarHBondContact O-CA 3.28Å; N1582-R1596 WeakPolarHBondContact O-CG 3.44Å; N1582-G1597 PolarHBondContact O-N 3.41Å; N1582-R1600 PolarHBondContact ND2-N 2.82Å; N1582-F1603 HydrophobicContact CB-CB 3.66Å; N1582-F1603 HydrophobicContact CB-CD1 4.18Å; N1582-F1603 HydrophobicContact CB-CG 3.89Å; N1582-F1603 WeakPolarHBondContact O-CD2 3.39Å |
| 1583 | V | 92.1 | Very high | 87.2 | Confident | 6 Ų | 6 | 71.9 Ų | 71.9 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 131.3 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | W1535 P1572 I1578 R1580 D1581 F1594 F1595 R1596 F1603 | W1535-V1583 HydrophobicContact CH2-CG1 3.91Å; W1535-V1583 HydrophobicContact CH2-CG2 3.69Å; W1535-V1583 HydrophobicContact CZ2-CG2 4.16Å; P1572-V1583 WeakPolarHBondContact CD-O 3.34Å; P1572-V1583 HydrophobicContact CG-CB 3.96Å; P1572-V1583 HydrophobicContact CG-CG1 3.55Å; I1578-V1583 HydrophobicContact CG2-CB 4.43Å; I1578-V1583 HydrophobicContact CG2-CG1 4.33Å; I1578-V1583 HydrophobicContact CG2-CG2 4.08Å; R1580-V1583 HydrophobicContact CB-CG2 4.2Å; R1580-V1583 WeakPolarHBondContact O-CG2 3.35Å; D1581-V1583 VanDerWaalsContact C-N 3.28Å; D1581-V1583 PolarHBondContact O-N 3.36Å; V1583-F1594 HydrophobicContact CG1-CB 4.01Å; V1583-F1594 HydrophobicContact CG1-CD1 4.22Å; V1583-F1595 CarbonylContact C-O 3.53Å; V1583-F1595 VanDerWaalsContact CA-O 3.29Å; V1583-F1595 WeakPolarHBondContact CA-O 3.47Å; V1583-R1596 HydrophobicContact CG2-CB 3.93Å; V1583-R1596 HydrophobicContact CG2-CG 3.7Å; V1583-F1603 WeakPolarHBondContact O-CE2 3.47Å |
| 1584 | L | 91.9 | Very high | 87.6 | Confident | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 146.8 | 165.3 | 66 | 92.4 | 0 | 0 | 0 | 110.8 | M1586 F1594 F1595 F1603 W1606 V1607 L1610 | L1584-M1586 HydrophobicContact CD1-CG 3.39Å; L1584-M1586 HydrophobicContact CD1-SD 3.93Å; L1584-F1594 WeakPolarHBondContact O-CA 3.5Å; L1584-F1595 HydrophobicContact CD1-CB 3.97Å; L1584-F1595 HydrophobicContact CD1-CD2 3.96Å; L1584-F1595 HydrophobicContact CD1-CG 4.43Å; L1584-F1595 HydrophobicContact CD2-CB 4.48Å; L1584-F1595 HydrophobicContact CG-CB 4Å; L1584-F1595 PolarHBondContact N-O 3.33Å; L1584-F1595 PolarHBondContact O-N 3.18Å; L1584-F1603 HydrophobicContact CB-CD2 4.45Å; L1584-F1603 HydrophobicContact CB-CE2 3.95Å; L1584-W1606 HydrophobicContact CD2-CB 4.29Å; L1584-V1607 HydrophobicContact CB-CG2 3.94Å; L1584-V1607 HydrophobicContact CD2-CG2 3.83Å; L1584-L1610 HydrophobicContact CD2-CD1 4.24Å |
| 1585 | K | 91.6 | Very high | 88.2 | Confident | 14 Ų | 14 | 65 Ų | 65 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.4 | 175.2 | 172.2 | -178 | -177.6 | 170.6 | 0 | 108.3 | S1570 P1572 E1575 D1576 V1592 F1594 | S1570-K1585 PolarHBondContact N-O 3.43Å; S1570-K1585 PolarHBondContact O-N 3.34Å; S1570-K1585 WeakPolarHBondContact OG-CB 3.45Å; S1570-K1585 PolarHBondContact OG-O 3.02Å; P1572-K1585 HydrophobicContact CG-CB 4.45Å; E1575-K1585 IonicContact OE1-NZ 3.27Å; E1575-K1585 PolarHBondContact OE1-NZ 3.42Å; D1576-K1585 IonicContact OD1-NZ 3.16Å; D1576-K1585 VanDerWaalsContact OD2-CD 3.29Å; D1576-K1585 WeakPolarHBondContact OD2-CD 3.31Å; D1576-K1585 VanDerWaalsContact OD2-CE 3.24Å; D1576-K1585 WeakPolarHBondContact OD2-CE 3.35Å; D1576-K1585 IonicContact OD2-NZ 2.63Å; D1576-K1585 PolarHBondContact OD2-NZ 3.32Å; K1585-V1592 HydrophobicContact CG-CG1 4.21Å; K1585-F1594 HydrophobicContact CB-CD1 3.9Å; K1585-F1594 HydrophobicContact CB-CE1 3.73Å; K1585-F1594 HydrophobicContact CD-CE1 4.01Å; K1585-F1594 HydrophobicContact CG-CD1 4.26Å; K1585-F1594 HydrophobicContact CG-CE1 3.68Å; K1585-F1594 HydrophobicContact CG-CZ 4.36Å |
| 1586 | M | 91.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122.4 | 170.9 | -52.4 | -173.4 | 84.1 | 0 | 0 | 108.5 | L1547 L1564 Y1567 I1568 I1569 L1584 V1592 Y1593 F1595 L1610 | L1547-M1586 HydrophobicContact CD1-CE 4.38Å; L1547-M1586 HydrophobicContact CD1-SD 3.97Å; L1564-M1586 HydrophobicContact CD1-CE 3.88Å; L1564-M1586 HydrophobicContact CD2-CE 3.56Å; L1564-M1586 HydrophobicContact CG-CE 4.32Å; Y1567-M1586 HydrophobicContact CD1-CB 3.94Å; I1568-M1586 WeakPolarHBondContact O-CA 3.34Å; I1569-M1586 HydrophobicContact CG1-CE 4.15Å; L1584-M1586 HydrophobicContact CD1-CG 3.39Å; L1584-M1586 HydrophobicContact CD1-SD 3.93Å; M1586-V1592 WeakPolarHBondContact O-CA 3.4Å; M1586-Y1593 PolarHBondContact N-O 3.35Å; M1586-Y1593 PolarHBondContact O-N 3.17Å; M1586-F1595 HydrophobicContact CG-CD2 4.09Å; M1586-F1595 HydrophobicContact CG-CE2 4.23Å; M1586-F1595 HydrophobicContact SD-CD2 3.72Å; M1586-F1595 HydrophobicContact SD-CE2 3.57Å; M1586-F1595 VanDerWaalsContact SD-CE2 3.57Å; M1586-L1610 HydrophobicContact CE-CD1 4.18Å; M1586-L1610 HydrophobicContact SD-CD1 4.46Å |
| 1587 | Q | 89 | Confident | 88.7 | Confident | 68 Ų | 68 | 62.6 Ų | 62.6 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128.9 | -178.8 | 178.3 | 164 | -3.6 | 0 | 0 | 113.1 | I1568 K1589 H1591 V1592 | I1568-Q1587 PolarHBondContact N-O 2.93Å; I1568-Q1587 PolarHBondContact O-N 2.98Å; Q1587-K1589 PolarHBondContact NE2-O 3.5Å; Q1587-H1591 WeakPolarHBondContact CA-O 3.36Å; Q1587-V1592 HydrophobicContact CB-CG2 4.26Å; Q1587-V1592 HydrophobicContact CG-CG2 3.85Å |
| 1588 | F | 87 | Confident | 88.8 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 114.9 | 166.5 | 175 | -109.4 | 0 | 0 | 0 | 109.4 | R1504 G1566 Y1567 N1590 H1591 | R1504-F1588 HydrophobicContact CB-CE2 4.25Å; R1504-F1588 HydrophobicContact CB-CZ 3.91Å; R1504-F1588 HydrophobicContact CG-CE1 4.14Å; R1504-F1588 HydrophobicContact CG-CE2 4.3Å; R1504-F1588 HydrophobicContact CG-CZ 3.64Å; G1566-F1588 WeakPolarHBondContact O-CD2 3.32Å; Y1567-F1588 HydrophobicContact CD1-CB 3.65Å; Y1567-F1588 HydrophobicContact CD2-CB 3.79Å; Y1567-F1588 HydrophobicContact CD2-CG 4.43Å; Y1567-F1588 HydrophobicContact CE1-CB 3.5Å; Y1567-F1588 HydrophobicContact CE2-CB 3.66Å; Y1567-F1588 HydrophobicContact CE2-CD1 4.47Å; Y1567-F1588 HydrophobicContact CE2-CG 4.24Å; Y1567-F1588 HydrophobicContact CG-CB 3.77Å; Y1567-F1588 VanDerWaalsContact CZ-CB 3.49Å; F1588-N1590 PolarHBondContact O-N 3.45Å; F1588-N1590 VanDerWaalsContact O-N 3.13Å; F1588-H1591 PolarHBondContact N-O 3.4Å; F1588-H1591 WeakPolarHBondContact O-CA 3.49Å; F1588-H1591 VanDerWaalsContact O-CB 3.23Å; F1588-H1591 WeakPolarHBondContact O-CB 3.41Å; F1588-H1591 PolarHBondContact O-N 3.26Å |
| 1589 | K | 87.3 | Confident | 88.9 | Confident | 140 Ų | 140 | 57.8 Ų | 57.8 | 61% | 0.609 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | -119.7 | -172.2 | -55.3 | 179.4 | -179.3 | 179.6 | 0 | 110.3 | Q1587 H1591 | Q1587-K1589 PolarHBondContact NE2-O 3.5Å; K1589-H1591 VanDerWaalsContact C-N 3.34Å |
| 1590 | N | 86.5 | Confident | 89.4 | Confident | 145 Ų | 145 | 52.9 Ų | 52.9 | 78% | 0.775 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 0.5 | 177.4 | -62.6 | -17.3 | 0 | 0 | 0 | 114 | R317 F1588 V1592 | R317-N1590 PolarHBondContact NH1-O 3.29Å; F1588-N1590 PolarHBondContact O-N 3.45Å; F1588-N1590 VanDerWaalsContact O-N 3.13Å; N1590-V1592 PolarHBondContact O-N 2.97Å |
| 1591 | H | 89 | Confident | 89.5 | Confident | 59 Ų | 59 | 48.8 Ų | 48.8 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 95.5 | -175.1 | -62.2 | -130.9 | 0 | 0 | 0 | 109.6 | R317 Y1567 Q1587 F1588 K1589 Y1593 | R317-H1591 VanDerWaalsContact CD-CE1 3.5Å; R317-H1591 WeakPolarHBondContact CD-CE1 3.44Å; R317-H1591 PolarHBondContact NE-CE1 3.37Å; R317-H1591 PolarHBondContact NE-ND1 3.49Å; R317-H1591 VanDerWaalsContact NE-ND1 3.2Å; Y1567-H1591 HydrophobicContact CE1-CB 4.31Å; Y1567-H1591 WeakPolarHBondContact OH-CB 3.45Å; Q1587-H1591 WeakPolarHBondContact CA-O 3.36Å; F1588-H1591 PolarHBondContact N-O 3.4Å; F1588-H1591 WeakPolarHBondContact O-CA 3.49Å; F1588-H1591 VanDerWaalsContact O-CB 3.23Å; F1588-H1591 WeakPolarHBondContact O-CB 3.41Å; F1588-H1591 PolarHBondContact O-N 3.26Å; K1589-H1591 VanDerWaalsContact C-N 3.34Å; H1591-Y1593 HydrophobicContact CB-CE2 4.03Å |
| 1592 | V | 91 | Very high | 89.6 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 7% | 0.073 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 121.2 | 178.7 | -172.6 | 0 | 0 | 0 | 0 | 110.9 | K1530 K1585 M1586 Q1587 N1590 F1594 | K1530-V1592 HydrophobicContact CB-CB 4.15Å; K1530-V1592 HydrophobicContact CB-CG1 4.38Å; K1530-V1592 HydrophobicContact CD-CB 4.12Å; K1530-V1592 HydrophobicContact CD-CG1 4.16Å; K1530-V1592 HydrophobicContact CD-CG2 4.27Å; K1585-V1592 HydrophobicContact CG-CG1 4.21Å; M1586-V1592 WeakPolarHBondContact O-CA 3.4Å; Q1587-V1592 HydrophobicContact CB-CG2 4.26Å; Q1587-V1592 HydrophobicContact CG-CG2 3.85Å; N1590-V1592 PolarHBondContact O-N 2.97Å; V1592-F1594 HydrophobicContact CG1-CD2 4.5Å; V1592-F1594 HydrophobicContact CG1-CE1 4.25Å; V1592-F1594 HydrophobicContact CG1-CE2 3.69Å; V1592-F1594 HydrophobicContact CG1-CZ 3.54Å |
| 1593 | Y | 92.6 | Very high | 89.6 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 7% | 0.071 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 147.2 | 174.6 | -58.6 | -94.4 | 0 | 0 | 0 | 109.9 | R317 F1529 L1562 Y1567 M1586 H1591 F1595 | R317-Y1593 PolarHBondContact NH2-OH 3.08Å; R317-Y1593 VanDerWaalsContact NH2-OH 3.13Å; F1529-Y1593 HydrophobicContact CD1-CD1 4.06Å; F1529-Y1593 AromaticContact CD1-CE1 3.82Å; F1529-Y1593 HydrophobicContact CD1-CE1 3.82Å; F1529-Y1593 HydrophobicContact CE1-CD1 4.09Å; F1529-Y1593 AromaticContact CE1-CE1 3.54Å; F1529-Y1593 HydrophobicContact CE1-CE1 3.54Å; F1529-Y1593 HydrophobicContact CZ-CE1 4.45Å; L1562-Y1593 HydrophobicContact CD1-CE2 4.05Å; L1562-Y1593 HydrophobicContact CD2-CD2 4.07Å; L1562-Y1593 HydrophobicContact CD2-CE2 4.1Å; L1562-Y1593 HydrophobicContact CD2-CG 4.37Å; Y1567-Y1593 HydrophobicContact CE1-CD2 4.01Å; Y1567-Y1593 HydrophobicContact CE1-CE2 4.13Å; M1586-Y1593 PolarHBondContact N-O 3.35Å; M1586-Y1593 PolarHBondContact O-N 3.17Å; H1591-Y1593 HydrophobicContact CB-CE2 4.03Å; Y1593-F1595 HydrophobicContact CG-CE2 4.42Å |
| 1594 | F | 94 | Very high | 89.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131.6 | 172.6 | -59.2 | -80 | 0 | 0 | 0 | 109.5 | R1527 K1528 K1530 W1535 P1572 D1576 I1578 V1583 L1584 K1585 V1592 | R1527-F1594 CarbonylContact C-O 3.52Å; R1527-F1594 WeakPolarHBondContact CA-O 3.18Å; K1528-F1594 HydrophobicContact CB-CB 4.37Å; K1528-F1594 PolarHBondContact N-O 3.5Å; K1528-F1594 PolarHBondContact O-N 3.05Å; K1530-F1594 HydrophobicContact CB-CE2 3.9Å; K1530-F1594 HydrophobicContact CG-CE2 4.25Å; W1535-F1594 HydrophobicContact CH2-CB 4.09Å; W1535-F1594 HydrophobicContact CZ3-CB 4.29Å; P1572-F1594 HydrophobicContact CB-CD1 4.46Å; P1572-F1594 HydrophobicContact CB-CE1 4.14Å; P1572-F1594 HydrophobicContact CG-CD1 4.07Å; P1572-F1594 HydrophobicContact CG-CE1 4.22Å; D1576-F1594 HydrophobicContact CB-CE1 4Å; D1576-F1594 HydrophobicContact CB-CZ 3.7Å; D1576-F1594 VanDerWaalsContact CG-CZ 3.46Å; I1578-F1594 HydrophobicContact CD1-CB 3.91Å; I1578-F1594 HydrophobicContact CD1-CD1 3.42Å; I1578-F1594 VanDerWaalsContact CD1-CD1 3.42Å; I1578-F1594 HydrophobicContact CD1-CD2 3.59Å; I1578-F1594 HydrophobicContact CD1-CE1 3.73Å; I1578-F1594 HydrophobicContact CD1-CE2 3.9Å; I1578-F1594 HydrophobicContact CD1-CG 3.33Å; I1578-F1594 HydrophobicContact CD1-CZ 3.97Å; V1583-F1594 HydrophobicContact CG1-CB 4.01Å; V1583-F1594 HydrophobicContact CG1-CD1 4.22Å; L1584-F1594 WeakPolarHBondContact O-CA 3.5Å; K1585-F1594 HydrophobicContact CB-CD1 3.9Å; K1585-F1594 HydrophobicContact CB-CE1 3.73Å; K1585-F1594 HydrophobicContact CD-CE1 4.01Å; K1585-F1594 HydrophobicContact CG-CD1 4.26Å; K1585-F1594 HydrophobicContact CG-CE1 3.68Å; K1585-F1594 HydrophobicContact CG-CZ 4.36Å; V1592-F1594 HydrophobicContact CG1-CD2 4.5Å; V1592-F1594 HydrophobicContact CG1-CE1 4.25Å; V1592-F1594 HydrophobicContact CG1-CE2 3.69Å; V1592-F1594 HydrophobicContact CG1-CZ 3.54Å |
| 1595 | F | 94.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136.9 | 176.2 | -64.2 | -86.6 | 0 | 0 | 0 | 109.7 | L1525 L1526 R1527 L1547 F1549 V1583 L1584 M1586 Y1593 | L1525-F1595 HydrophobicContact CB-CD1 4.48Å; L1525-F1595 HydrophobicContact CD1-CB 4.27Å; L1525-F1595 HydrophobicContact CD1-CD1 4.21Å; L1525-F1595 HydrophobicContact CD1-CG 4.49Å; L1526-F1595 CarbonylContact O-C 3.44Å; L1526-F1595 VanDerWaalsContact O-CA 3.3Å; L1526-F1595 WeakPolarHBondContact O-CA 3.47Å; R1527-F1595 HydrophobicContact CB-CD1 3.95Å; R1527-F1595 HydrophobicContact CB-CE1 3.77Å; R1527-F1595 HydrophobicContact CG-CD1 4.06Å; R1527-F1595 HydrophobicContact CG-CE1 3.52Å; R1527-F1595 HydrophobicContact CG-CZ 3.98Å; L1547-F1595 HydrophobicContact CD1-CE2 4.38Å; L1547-F1595 HydrophobicContact CD1-CZ 4.25Å; F1549-F1595 AromaticContact CE1-CE1 3.55Å; F1549-F1595 HydrophobicContact CE1-CE1 3.55Å; F1549-F1595 AromaticContact CE1-CZ 3.79Å; F1549-F1595 HydrophobicContact CE1-CZ 3.79Å; F1549-F1595 HydrophobicContact CZ-CE1 4.04Å; F1549-F1595 AromaticContact CZ-CZ 3.77Å; F1549-F1595 HydrophobicContact CZ-CZ 3.77Å; V1583-F1595 CarbonylContact C-O 3.53Å; V1583-F1595 VanDerWaalsContact CA-O 3.29Å; V1583-F1595 WeakPolarHBondContact CA-O 3.47Å; L1584-F1595 HydrophobicContact CD1-CB 3.97Å; L1584-F1595 HydrophobicContact CD1-CD2 3.96Å; L1584-F1595 HydrophobicContact CD1-CG 4.43Å; L1584-F1595 HydrophobicContact CD2-CB 4.48Å; L1584-F1595 HydrophobicContact CG-CB 4Å; L1584-F1595 PolarHBondContact N-O 3.33Å; L1584-F1595 PolarHBondContact O-N 3.18Å; M1586-F1595 HydrophobicContact CG-CD2 4.09Å; M1586-F1595 HydrophobicContact CG-CE2 4.23Å; M1586-F1595 HydrophobicContact SD-CD2 3.72Å; M1586-F1595 HydrophobicContact SD-CE2 3.57Å; M1586-F1595 VanDerWaalsContact SD-CE2 3.57Å; Y1593-F1595 HydrophobicContact CG-CE2 4.42Å |
| 1596 | R | 93.4 | Very high | 89.2 | Confident | 71 Ų | 71 | 46.1 Ų | 46.1 | 27% | 0.268 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.7 | 178.6 | -164.4 | -178.6 | -178.6 | -130.9 | -2.1 | 110.6 | L1525 L1526 W1535 D1581 N1582 V1583 | L1525-R1596 WeakPolarHBondContact CD2-O 3.39Å; L1526-R1596 HydrophobicContact CB-CB 4.21Å; L1526-R1596 PolarHBondContact N-O 3.11Å; L1526-R1596 PolarHBondContact O-N 3.44Å; W1535-R1596 HydrophobicContact CE3-CB 4.27Å; W1535-R1596 HydrophobicContact CH2-CB 4.16Å; W1535-R1596 HydrophobicContact CZ3-CB 3.79Å; D1581-R1596 PolarHBondContact O-NE 2.87Å; N1582-R1596 VanDerWaalsContact O-CA 3.27Å; N1582-R1596 WeakPolarHBondContact O-CA 3.28Å; N1582-R1596 WeakPolarHBondContact O-CG 3.44Å; V1583-R1596 HydrophobicContact CG2-CB 3.93Å; V1583-R1596 HydrophobicContact CG2-CG 3.7Å |
| 1597 | G | 90.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 150.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N1582 T1599 | N1582-G1597 PolarHBondContact O-N 3.41Å; G1597-T1599 VanDerWaalsContact C-N 3.31Å |
| 1598 | E | 85.3 | Confident | 89.1 | Confident | 57 Ų | 57 | 47 Ų | 47 | 27% | 0.266 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -68.4 | -33.9 | 176.4 | -64.5 | -172 | 141.4 | 0 | 0 | 111.6 | R1065 Y1524 R1537 | R1065-E1598 IonicContact CZ-OE2 2.79Å; R1065-E1598 VanDerWaalsContact CZ-OE2 3.24Å; R1065-E1598 IonicContact NH1-OE2 3.92Å; R1065-E1598 PolarHBondContact NH1-OE2 2.71Å; R1065-E1598 IonicContact NH2-OE2 2.68Å; R1065-E1598 PolarHBondContact NH2-OE2 2.68Å; Y1524-E1598 WeakPolarHBondContact CB-OE1 3.38Å; R1537-E1598 IonicContact CZ-OE1 3.81Å; R1537-E1598 IonicContact NE-OE1 2.74Å; R1537-E1598 PolarHBondContact NE-OE1 2.99Å; R1537-E1598 IonicContact NH2-OE1 3.13Å; R1537-E1598 PolarHBondContact NH2-OE1 2.71Å |
| 1599 | T | 86 | Confident | 89.2 | Confident | 41 Ų | 41 | 46 Ų | 46 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -128.7 | 169.2 | 173.3 | 68.4 | 0 | 0 | 0 | 0 | 110.5 | G1597 S1602 F1603 | G1597-T1599 VanDerWaalsContact C-N 3.31Å; T1599-S1602 WeakPolarHBondContact O-CB 3.47Å; T1599-S1602 PolarHBondContact O-N 3.23Å; T1599-S1602 WeakPolarHBondContact OG1-CB 3.39Å; T1599-S1602 PolarHBondContact OG1-N 2.9Å; T1599-F1603 PolarHBondContact O-N 3.33Å |
| 1600 | R | 85.6 | Confident | 89.3 | Confident | 144 Ų | 144 | 39.5 Ų | 39.5 | 54% | 0.543 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -57.7 | -50.3 | 175.6 | 179.9 | -175.2 | 162 | 164.3 | 1.3 | 111.3 | N1582 S1602 F1603 E1604 | N1582-R1600 PolarHBondContact ND2-N 2.82Å; R1600-S1602 VanDerWaalsContact C-N 3.32Å; R1600-S1602 PolarHBondContact O-N 3.03Å; R1600-F1603 WeakPolarHBondContact O-CA 3.3Å; R1600-F1603 WeakPolarHBondContact O-CB 3.46Å; R1600-F1603 PolarHBondContact O-N 2.91Å; R1600-E1604 HydrophobicContact CG-CG 4.48Å; R1600-E1604 IonicContact CZ-OE1 2.76Å; R1600-E1604 IonicContact NE-OE1 3.14Å; R1600-E1604 PolarHBondContact NE-OE1 3.38Å; R1600-E1604 IonicContact NE-OE2 3.83Å; R1600-E1604 PolarHBondContact NE-OE2 3.07Å; R1600-E1604 IonicContact NH2-OE1 2.71Å; R1600-E1604 PolarHBondContact NH2-OE1 3.09Å; R1600-E1604 PolarHBondContact O-N 3.34Å |
| 1601 | L | 85.7 | Confident | 89.1 | Confident | 50 Ų | 50 | 34.7 Ų | 34.7 | 26% | 0.262 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.6 | -38.2 | 179.1 | -72.2 | 157.7 | 0 | 0 | 0 | 112.3 | E1059 E1604 R1605 | E1059-L1601 HydrophobicContact CG-CD1 3.78Å; E1059-L1601 HydrophobicContact CG-CD2 4.03Å; L1601-E1604 PolarHBondContact O-N 2.88Å; L1601-R1605 WeakPolarHBondContact O-CB 3.48Å; L1601-R1605 WeakPolarHBondContact O-CG 3.17Å; L1601-R1605 PolarHBondContact O-N 3.05Å |
| 1602 | S | 87.1 | Confident | 88.5 | Confident | 22 Ų | 22 | 33.9 Ų | 33.9 | 15% | 0.154 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 171.2 | 168.3 | 0 | 0 | 0 | 0 | 111.8 | T1599 R1600 W1606 | T1599-S1602 WeakPolarHBondContact O-CB 3.47Å; T1599-S1602 PolarHBondContact O-N 3.23Å; T1599-S1602 WeakPolarHBondContact OG1-CB 3.39Å; T1599-S1602 PolarHBondContact OG1-N 2.9Å; R1600-S1602 VanDerWaalsContact C-N 3.32Å; R1600-S1602 PolarHBondContact O-N 3.03Å; S1602-W1606 VanDerWaalsContact O-CD1 3.24Å; S1602-W1606 PolarHBondContact O-N 3.43Å; S1602-W1606 VanDerWaalsContact O-N 3.09Å |
| 1603 | F | 89.8 | Confident | 87.6 | Confident | 21 Ų | 21 | 33.5 Ų | 33.5 | 9% | 0.092 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.3 | -44.4 | 176.6 | 154.2 | -100.2 | 0 | 0 | 0 | 112.5 | N1582 V1583 L1584 T1599 R1600 R1605 W1606 V1607 | N1582-F1603 HydrophobicContact CB-CB 3.66Å; N1582-F1603 HydrophobicContact CB-CD1 4.18Å; N1582-F1603 HydrophobicContact CB-CG 3.89Å; N1582-F1603 WeakPolarHBondContact O-CD2 3.39Å; V1583-F1603 WeakPolarHBondContact O-CE2 3.47Å; L1584-F1603 HydrophobicContact CB-CD2 4.45Å; L1584-F1603 HydrophobicContact CB-CE2 3.95Å; T1599-F1603 PolarHBondContact O-N 3.33Å; R1600-F1603 WeakPolarHBondContact O-CA 3.3Å; R1600-F1603 WeakPolarHBondContact O-CB 3.46Å; R1600-F1603 PolarHBondContact O-N 2.91Å; F1603-R1605 PolarHBondContact O-N 3.44Å; F1603-W1606 PolarHBondContact O-N 3.49Å; F1603-V1607 HydrophobicContact CD2-CG2 3.92Å; F1603-V1607 HydrophobicContact CE2-CG2 3.55Å; F1603-V1607 HydrophobicContact CZ-CG2 3.96Å; F1603-V1607 WeakPolarHBondContact O-CG2 3.42Å; F1603-V1607 PolarHBondContact O-N 3.12Å |
| 1604 | E | 88.9 | Confident | 86.2 | Confident | 44 Ų | 44 | 33.1 Ų | 33.1 | 21% | 0.206 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 178.6 | -73.8 | 167.4 | 153.1 | 0 | 0 | 111.3 | R1600 L1601 V1607 E1608 | R1600-E1604 HydrophobicContact CG-CG 4.48Å; R1600-E1604 IonicContact CZ-OE1 2.76Å; R1600-E1604 IonicContact NE-OE1 3.14Å; R1600-E1604 PolarHBondContact NE-OE1 3.38Å; R1600-E1604 IonicContact NE-OE2 3.83Å; R1600-E1604 PolarHBondContact NE-OE2 3.07Å; R1600-E1604 IonicContact NH2-OE1 2.71Å; R1600-E1604 PolarHBondContact NH2-OE1 3.09Å; R1600-E1604 PolarHBondContact O-N 3.34Å; L1601-E1604 PolarHBondContact O-N 2.88Å; E1604-V1607 PolarHBondContact O-N 3.33Å; E1604-E1608 WeakPolarHBondContact O-CB 3.39Å; E1604-E1608 PolarHBondContact O-N 3.36Å |
| 1605 | R | 88.1 | Confident | 84.3 | Confident | 30 Ų | 30 | 34.8 Ų | 34.8 | 11% | 0.113 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.6 | -48.6 | 171.3 | -79 | -72.8 | 173 | 107.6 | 2.7 | 113.5 | L1063 E1066 L1601 F1603 V1607 E1608 Y1609 | L1063-R1605 VanDerWaalsContact CD2-NH1 3.31Å; L1063-R1605 VanDerWaalsContact CD2-NH2 3.35Å; L1063-R1605 VanDerWaalsContact CG-NH2 3.29Å; E1066-R1605 IonicContact OE1-NH1 3.88Å; E1066-R1605 PolarHBondContact OE1-NH1 2.96Å; E1066-R1605 VanDerWaalsContact OE1-NH1 3.13Å; E1066-R1605 WeakPolarHBondContact OE2-CD 3.49Å; E1066-R1605 WeakPolarHBondContact OE2-CG 3.07Å; E1066-R1605 IonicContact OE2-CZ 3.48Å; E1066-R1605 IonicContact OE2-NE 2.87Å; E1066-R1605 IonicContact OE2-NH1 3.71Å; E1066-R1605 PolarHBondContact OE2-NH1 3.24Å; L1601-R1605 WeakPolarHBondContact O-CB 3.48Å; L1601-R1605 WeakPolarHBondContact O-CG 3.17Å; L1601-R1605 PolarHBondContact O-N 3.05Å; F1603-R1605 PolarHBondContact O-N 3.44Å; R1605-V1607 VanDerWaalsContact C-N 3.34Å; R1605-V1607 PolarHBondContact O-N 3.13Å; R1605-E1608 PolarHBondContact O-N 3.36Å; R1605-Y1609 PolarHBondContact NH1-OH 3.33Å; R1605-Y1609 PolarHBondContact O-N 2.84Å |
| 1606 | W | 91.5 | Very high | 81.9 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 4% | 0.038 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.2 | -37.8 | 178.9 | -86.6 | 98.8 | 0 | 0 | 0 | 111.9 | T1521 L1525 V1540 F1542 L1547 L1584 S1602 F1603 L1610 | T1521-W1606 HydrophobicContact CG2-CD2 4.14Å; T1521-W1606 HydrophobicContact CG2-CE3 3.93Å; T1521-W1606 HydrophobicContact CG2-CH2 3.74Å; T1521-W1606 HydrophobicContact CG2-CZ2 3.94Å; T1521-W1606 HydrophobicContact CG2-CZ3 3.73Å; L1525-W1606 HydrophobicContact CD1-CD2 3.7Å; L1525-W1606 HydrophobicContact CD1-CE3 3.93Å; L1525-W1606 HydrophobicContact CD1-CG 4.18Å; L1525-W1606 HydrophobicContact CD1-CH2 4.15Å; L1525-W1606 HydrophobicContact CD1-CZ2 3.93Å; L1525-W1606 HydrophobicContact CD1-CZ3 4.14Å; L1525-W1606 HydrophobicContact CD2-CD2 4.31Å; L1525-W1606 HydrophobicContact CD2-CG 4Å; L1525-W1606 HydrophobicContact CG-CD2 4.25Å; L1525-W1606 HydrophobicContact CG-CG 4.47Å; L1525-W1606 HydrophobicContact CG-CZ2 4.2Å; V1540-W1606 HydrophobicContact CB-CH2 3.87Å; V1540-W1606 HydrophobicContact CB-CZ2 4.18Å; V1540-W1606 HydrophobicContact CG1-CH2 3.79Å; V1540-W1606 HydrophobicContact CG1-CZ3 4.3Å; F1542-W1606 HydrophobicContact CB-CH2 4.21Å; F1542-W1606 HydrophobicContact CB-CZ3 3.89Å; L1547-W1606 HydrophobicContact CD2-CH2 4.39Å; L1547-W1606 HydrophobicContact CD2-CZ3 3.74Å; L1584-W1606 HydrophobicContact CD2-CB 4.29Å; S1602-W1606 VanDerWaalsContact O-CD1 3.24Å; S1602-W1606 PolarHBondContact O-N 3.43Å; S1602-W1606 VanDerWaalsContact O-N 3.09Å; F1603-W1606 PolarHBondContact O-N 3.49Å; W1606-L1610 HydrophobicContact CE3-CD1 4.03Å; W1606-L1610 HydrophobicContact CE3-CD2 4.36Å; W1606-L1610 HydrophobicContact CE3-CG 4.16Å; W1606-L1610 HydrophobicContact CZ3-CD2 4.45Å; W1606-L1610 VanDerWaalsContact O-CB 3.23Å; W1606-L1610 WeakPolarHBondContact O-CB 3.41Å; W1606-L1610 WeakPolarHBondContact O-CD1 3.39Å; W1606-L1610 WeakPolarHBondContact O-CG 3.34Å; W1606-L1610 PolarHBondContact O-N 2.96Å; W1606-L1610 VanDerWaalsContact O-N 3.14Å |
| 1607 | V | 89.6 | Confident | 79.4 | Confident | 16 Ų | 16 | 33 Ų | 33 | 10% | 0.097 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65 | -43.5 | 173.2 | 172 | 0 | 0 | 0 | 0 | 111.2 | L1584 F1603 E1604 R1605 S1611 I1622 | L1584-V1607 HydrophobicContact CB-CG2 3.94Å; L1584-V1607 HydrophobicContact CD2-CG2 3.83Å; F1603-V1607 HydrophobicContact CD2-CG2 3.92Å; F1603-V1607 HydrophobicContact CE2-CG2 3.55Å; F1603-V1607 HydrophobicContact CZ-CG2 3.96Å; F1603-V1607 WeakPolarHBondContact O-CG2 3.42Å; F1603-V1607 PolarHBondContact O-N 3.12Å; E1604-V1607 PolarHBondContact O-N 3.33Å; R1605-V1607 VanDerWaalsContact C-N 3.34Å; R1605-V1607 PolarHBondContact O-N 3.13Å; V1607-S1611 VanDerWaalsContact O-CB 3.25Å; V1607-S1611 WeakPolarHBondContact O-CB 3.46Å; V1607-S1611 PolarHBondContact O-N 3.32Å; V1607-S1611 PolarHBondContact O-OG 2.84Å; V1607-I1622 HydrophobicContact CG1-CD1 4.4Å; V1607-I1622 HydrophobicContact CG1-CG2 4.28Å |
| 1608 | E | 87.7 | Confident | 77.2 | Confident | 72 Ų | 72 | 42.5 Ų | 42.5 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60 | -59.1 | 177.8 | -176 | -167.8 | -165.7 | 0 | 0 | 111.5 | R1243 E1604 R1605 L1610 S1611 C1612 | R1243-E1608 IonicContact CZ-OE1 2.89Å; R1243-E1608 IonicContact CZ-OE2 3.98Å; R1243-E1608 IonicContact NH1-OE1 3.81Å; R1243-E1608 IonicContact NH1-OE2 2.96Å; R1243-E1608 PolarHBondContact NH1-OE2 2.73Å; R1243-E1608 VanDerWaalsContact NH2-CD 3.29Å; R1243-E1608 IonicContact NH2-OE1 2.67Å; R1243-E1608 PolarHBondContact NH2-OE1 2.74Å; R1243-E1608 IonicContact NH2-OE2 3.2Å; R1243-E1608 PolarHBondContact NH2-OE2 2.76Å; E1604-E1608 WeakPolarHBondContact O-CB 3.39Å; E1604-E1608 PolarHBondContact O-N 3.36Å; R1605-E1608 PolarHBondContact O-N 3.36Å; E1608-L1610 PolarHBondContact O-N 3Å; E1608-S1611 PolarHBondContact O-N 3.35Å; E1608-C1612 WeakPolarHBondContact O-CB 3.31Å; E1608-C1612 PolarHBondContact O-N 2.9Å; E1608-C1612 PolarHBondContact O-SG 2.95Å; E1608-C1612 VanDerWaalsContact O-SG 3.38Å |
| 1609 | Y | 89.3 | Confident | 74.7 | Confident | 10 Ų | 10 | 45.7 Ų | 45.7 | 4% | 0.039 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | -175.7 | -66.6 | -23.2 | 0 | 0 | 0 | 113 | E1066 R1243 Y1519 T1521 R1605 S1611 A1613 | E1066-Y1609 VanDerWaalsContact OE1-CE2 3.25Å; E1066-Y1609 WeakPolarHBondContact OE1-CE2 3.27Å; E1066-Y1609 PolarHBondContact OE1-OH 2.97Å; R1243-Y1609 VanDerWaalsContact NH1-CE1 3.33Å; R1243-Y1609 PolarHBondContact NH1-OH 2.94Å; Y1519-Y1609 AromaticContact CD1-CD1 3.58Å; Y1519-Y1609 HydrophobicContact CD1-CD1 3.58Å; Y1519-Y1609 AromaticContact CD1-CE1 3.91Å; Y1519-Y1609 HydrophobicContact CD1-CE1 3.91Å; Y1519-Y1609 HydrophobicContact CE1-CD1 4.45Å; Y1519-Y1609 HydrophobicContact CG-CD1 4.38Å; T1521-Y1609 HydrophobicContact CG2-CD2 3.8Å; R1605-Y1609 PolarHBondContact NH1-OH 3.33Å; R1605-Y1609 PolarHBondContact O-N 2.84Å; Y1609-S1611 VanDerWaalsContact C-N 3.3Å; Y1609-S1611 PolarHBondContact O-N 3.35Å; Y1609-A1613 VanDerWaalsContact O-CB 3.3Å; Y1609-A1613 WeakPolarHBondContact O-CB 3.31Å; Y1609-A1613 PolarHBondContact O-N 3.15Å |
| 1610 | L | 89.4 | Confident | 72.4 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -35.5 | 175.5 | -64.3 | 173.3 | 0 | 0 | 0 | 111.3 | F1542 L1547 L1564 I1569 L1584 M1586 W1606 E1608 A1614 | F1542-L1610 HydrophobicContact CD1-CD2 3.99Å; F1542-L1610 HydrophobicContact CD2-CD2 3.87Å; F1542-L1610 HydrophobicContact CE1-CD2 4.04Å; F1542-L1610 HydrophobicContact CE2-CD2 3.96Å; F1542-L1610 HydrophobicContact CG-CD2 3.91Å; F1542-L1610 HydrophobicContact CZ-CD2 4.03Å; L1547-L1610 HydrophobicContact CD2-CD2 4.07Å; L1564-L1610 HydrophobicContact CD1-CD2 3.6Å; I1569-L1610 HydrophobicContact CD1-CB 3.63Å; I1569-L1610 WeakPolarHBondContact CD1-O 3.27Å; L1584-L1610 HydrophobicContact CD2-CD1 4.24Å; M1586-L1610 HydrophobicContact CE-CD1 4.18Å; M1586-L1610 HydrophobicContact SD-CD1 4.46Å; W1606-L1610 HydrophobicContact CE3-CD1 4.03Å; W1606-L1610 HydrophobicContact CE3-CD2 4.36Å; W1606-L1610 HydrophobicContact CE3-CG 4.16Å; W1606-L1610 HydrophobicContact CZ3-CD2 4.45Å; W1606-L1610 VanDerWaalsContact O-CB 3.23Å; W1606-L1610 WeakPolarHBondContact O-CB 3.41Å; W1606-L1610 WeakPolarHBondContact O-CD1 3.39Å; W1606-L1610 WeakPolarHBondContact O-CG 3.34Å; W1606-L1610 PolarHBondContact O-N 2.96Å; W1606-L1610 VanDerWaalsContact O-N 3.14Å; E1608-L1610 PolarHBondContact O-N 3Å; L1610-A1614 WeakPolarHBondContact O-CA 3.42Å; L1610-A1614 WeakPolarHBondContact O-CB 3.3Å; L1610-A1614 PolarHBondContact O-N 3.2Å |
| 1611 | S | 82.7 | Confident | 70 | Confident | 44 Ų | 44 | 47.7 Ų | 47.7 | 31% | 0.308 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -74 | -42.6 | 177.7 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | V1607 E1608 Y1609 A1614 G1615 | V1607-S1611 VanDerWaalsContact O-CB 3.25Å; V1607-S1611 WeakPolarHBondContact O-CB 3.46Å; V1607-S1611 PolarHBondContact O-N 3.32Å; V1607-S1611 PolarHBondContact O-OG 2.84Å; E1608-S1611 PolarHBondContact O-N 3.35Å; Y1609-S1611 VanDerWaalsContact C-N 3.3Å; Y1609-S1611 PolarHBondContact O-N 3.35Å; S1611-A1614 CarbonylContact O-C 3.55Å; S1611-G1615 PolarHBondContact O-N 3.13Å |
| 1612 | C | 75.9 | Confident | 67.9 | Low | 43 Ų | 43 | 47 Ų | 47 | 29% | 0.291 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | 179.3 | -70.4 | 0 | 0 | 0 | 0 | 112.2 | R1515 Y1519 E1608 | R1515-C1612 VanDerWaalsContact CD-O 3.28Å; R1515-C1612 WeakPolarHBondContact CD-O 3.36Å; Y1519-C1612 HydrophobicContact CD1-CB 4.2Å; Y1519-C1612 HydrophobicContact CD2-CB 3.72Å; Y1519-C1612 HydrophobicContact CE1-CB 4.34Å; Y1519-C1612 HydrophobicContact CE2-CB 3.93Å; Y1519-C1612 HydrophobicContact CG-CB 3.88Å; E1608-C1612 WeakPolarHBondContact O-CB 3.31Å; E1608-C1612 PolarHBondContact O-N 2.9Å; E1608-C1612 PolarHBondContact O-SG 2.95Å; E1608-C1612 VanDerWaalsContact O-SG 3.38Å |
| 1613 | A | 71.4 | Confident | 65.3 | Low | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -76 | -43.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1516 F1542 L1545 Y1609 G1615 | A1516-A1613 HydrophobicContact CB-CB 4Å; F1542-A1613 HydrophobicContact CE1-CB 3.52Å; F1542-A1613 HydrophobicContact CZ-CB 3.5Å; L1545-A1613 HydrophobicContact CD2-CB 3.94Å; L1545-A1613 WeakPolarHBondContact CD2-O 3.42Å; Y1609-A1613 VanDerWaalsContact O-CB 3.3Å; Y1609-A1613 WeakPolarHBondContact O-CB 3.31Å; Y1609-A1613 PolarHBondContact O-N 3.15Å; A1613-G1615 PolarHBondContact O-N 3.39Å; A1613-G1615 VanDerWaalsContact O-N 3.09Å |
| 1614 | A | 64.6 | Low | 62.6 | Low | 11 Ų | 11 | 53.2 Ų | 53.2 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 33.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1569 L1610 S1611 A1616 S1617 | I1569-A1614 HydrophobicContact CD1-CB 4.19Å; L1610-A1614 WeakPolarHBondContact O-CA 3.42Å; L1610-A1614 WeakPolarHBondContact O-CB 3.3Å; L1610-A1614 PolarHBondContact O-N 3.2Å; S1611-A1614 CarbonylContact O-C 3.55Å; A1614-A1616 PolarHBondContact O-N 2.96Å; A1614-S1617 PolarHBondContact O-N 3.32Å; A1614-S1617 PolarHBondContact O-OG 3.49Å |
| 1615 | G | 53.1 | Low | 60 | Low | 35 Ų | 35 | 55.2 Ų | 55.2 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 2.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | S1611 A1613 | S1611-G1615 PolarHBondContact O-N 3.13Å; A1613-G1615 PolarHBondContact O-N 3.39Å; A1613-G1615 VanDerWaalsContact O-N 3.09Å |
| 1616 | A | 44.9 | Very low | 57.4 | Low | 12 Ų | 12 | 57.7 Ų | 57.7 | 10% | 0.099 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -5.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | W1432 F1506 A1614 | W1432-A1616 VanDerWaalsContact CH2-CA 3.43Å; W1432-A1616 HydrophobicContact CH2-CB 3.64Å; W1432-A1616 HydrophobicContact CZ2-CB 4.48Å; W1432-A1616 HydrophobicContact CZ3-CB 4.22Å; F1506-A1616 HydrophobicContact CE1-CB 3.54Å; F1506-A1616 HydrophobicContact CZ-CB 3.55Å; F1506-A1616 WeakPolarHBondContact CZ-O 3.23Å; A1614-A1616 PolarHBondContact O-N 2.96Å |
| 1617 | S | 41.3 | Very low | 54.2 | Low | 23 Ų | 23 | 68.9 Ų | 68.9 | 16% | 0.161 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -95.3 | 141.2 | 165 | 67.4 | 0 | 0 | 0 | 0 | 109.1 | A1614 | A1614-S1617 PolarHBondContact O-N 3.32Å; A1614-S1617 PolarHBondContact O-OG 3.49Å |
| 1618 | R | 43.5 | Very low | 52.4 | Low | 202 Ų | 202 | 71.6 Ų | 71.6 | 76% | 0.762 | 40% | 0.395 | S | S | * | . | trans | -53.8 | 125.8 | -177 | -82.7 | -174.6 | 173.8 | -179 | -1.5 | 110.2 | L1620 | R1618-L1620 VanDerWaalsContact C-N 3.29Å; R1618-L1620 PolarHBondContact O-N 3.15Å | ||
| 1619 | P | 33.4 | Very low | 50.6 | Low | 124 Ų | 124 | 71.5 Ų | 71.5 | 81% | 0.805 | 40% | 0.398 | S | S | * | . | trans | -70.3 | 88.2 | 172.3 | 29.2 | -33.7 | 0 | 0 | 0 | 109.6 | ||||
| 1620 | L | 37.4 | Very low | 48.4 | Very low | 115 Ų | 115 | 74.9 Ų | 74.9 | 60% | 0.602 | 42% | 0.418 | S | S | * | . | trans | -58.7 | 138.4 | 158.8 | -84.4 | 166.2 | 0 | 0 | 0 | 108 | I1568 R1618 I1622 | I1568-L1620 HydrophobicContact CG2-CD1 4.37Å; R1618-L1620 VanDerWaalsContact C-N 3.29Å; R1618-L1620 PolarHBondContact O-N 3.15Å; L1620-I1622 PolarHBondContact O-N 3.2Å | ||
| 1621 | N | 35.1 | Very low | 46 | Very low | 113 Ų | 113 | 79.2 Ų | 79.2 | 60% | 0.604 | 44% | 0.442 | S | S | * | . | trans | -79 | 58.9 | -155.8 | -159.2 | -3.9 | 0 | 0 | 0 | 113.9 | S1623 S1624 | N1621-S1623 PolarHBondContact O-N 3.32Å; N1621-S1623 VanDerWaalsContact O-N 3.11Å; N1621-S1624 PolarHBondContact O-N 3.26Å; N1621-S1624 PolarHBondContact O-OG 2.79Å; N1621-S1624 VanDerWaalsContact O-OG 3.04Å | ||
| 1622 | I | 42 | Very low | 43.7 | Very low | 35 Ų | 35 | 81.4 Ų | 81.4 | 18% | 0.179 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -58.1 | -27.8 | -175.8 | -67.3 | 166.1 | 0 | 0 | 0 | 111.9 | V1607 L1620 S1624 T1625 I1626 | V1607-I1622 HydrophobicContact CG1-CD1 4.4Å; V1607-I1622 HydrophobicContact CG1-CG2 4.28Å; L1620-I1622 PolarHBondContact O-N 3.2Å; I1622-S1624 VanDerWaalsContact C-N 3.27Å; I1622-S1624 PolarHBondContact O-N 3.37Å; I1622-T1625 PolarHBondContact O-N 2.83Å; I1622-T1625 VanDerWaalsContact O-N 3.13Å; I1622-I1626 HydrophobicContact CG2-CD1 3.92Å |
| 1623 | S | 32.4 | Very low | 41.6 | Very low | 93 Ų | 93 | 84 Ų | 84 | 65% | 0.65 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -57.5 | -36 | 174.5 | -171.1 | 0 | 0 | 0 | 0 | 112.9 | N1621 T1625 | N1621-S1623 PolarHBondContact O-N 3.32Å; N1621-S1623 VanDerWaalsContact O-N 3.11Å; S1623-T1625 PolarHBondContact O-N 3.38Å; S1623-T1625 VanDerWaalsContact O-N 3.15Å |
| 1624 | S | 33.5 | Very low | 39.5 | Very low | 81 Ų | 81 | 89.8 Ų | 89.8 | 57% | 0.566 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -78.3 | 9.7 | 179.1 | 81.7 | 0 | 0 | 0 | 0 | 114.1 | N1621 I1622 | N1621-S1624 PolarHBondContact O-N 3.26Å; N1621-S1624 PolarHBondContact O-OG 2.79Å; N1621-S1624 VanDerWaalsContact O-OG 3.04Å; I1622-S1624 VanDerWaalsContact C-N 3.27Å; I1622-S1624 PolarHBondContact O-N 3.37Å |
| 1625 | T | 33.6 | Very low | 37.5 | Very low | 85 Ų | 85 | 95.8 Ų | 95.8 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -137.6 | 27.9 | 178.4 | -20.5 | 0 | 0 | 0 | 0 | 112.4 | K1571 I1622 S1623 | K1571-T1625 PolarHBondContact NZ-O 3.45Å; I1622-T1625 PolarHBondContact O-N 2.83Å; I1622-T1625 VanDerWaalsContact O-N 3.13Å; S1623-T1625 PolarHBondContact O-N 3.38Å; S1623-T1625 VanDerWaalsContact O-N 3.15Å |
| 1626 | I | 32.7 | Very low | 36.2 | Very low | 83 Ų | 83 | 100.9 Ų | 100.9 | 43% | 0.426 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -21.6 | 171.5 | -65.7 | 176.1 | 0 | 0 | 0 | 110.9 | I1622 | I1622-I1626 HydrophobicContact CG2-CD1 3.92Š|
| 1627 | K | 25.1 | Very low | 35.4 | Very low | 245 Ų | 245 | 109 Ų | 109 | 100% | 1.065 | 58% | 0.577 | S | S | * | * | trans | -79.2 | 0 | 147.5 | -63.2 | -178.5 | 179.8 | -179.1 | 0 | 109.6 |
Retrieved 1,627 of 1,627 residues in 439.2 ms
(Link to these results)