| 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 | 81.9 | Confident | 94.4 | Very high | 117 Ų | 117 | 55.5 Ų | 55.5 | 58% | 0.576 | 32% | 0.324 | S | S | * | . | 0 | 10.5 | 0 | -111.2 | -75 | -98.1 | 0 | 0 | 112.1 | L3 V4 A5 | M1-L3 PolarHBondContact O-N 3.01Å; M1-V4 WeakPolarHBondContact O-CB 3.42Å; M1-V4 PolarHBondContact O-N 3.41Å; M1-V4 HydrophobicContact SD-CB 4.11Å; M1-V4 HydrophobicContact SD-CG2 3.98Å; M1-A5 PolarHBondContact O-N 2.94Å | |||
| 2 | D | 93.2 | Very high | 94.4 | Very high | 126 Ų | 126 | 63.4 Ų | 63.4 | 67% | 0.674 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -87.4 | -24.6 | -143.7 | -40.5 | -73 | 0 | 0 | 0 | 111.1 | V4 A5 A6 | D2-V4 VanDerWaalsContact C-N 3.27Å; D2-V4 PolarHBondContact O-N 3Å; D2-A5 WeakPolarHBondContact O-CB 3.46Å; D2-A5 PolarHBondContact O-N 3.18Å; D2-A6 WeakPolarHBondContact O-CB 3.3Å; D2-A6 PolarHBondContact O-N 3.2Å |
| 3 | L | 94.2 | Very high | 94.4 | Very high | 77 Ų | 77 | 61.2 Ų | 61.2 | 40% | 0.403 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.4 | -36.2 | 167 | -58 | 171.5 | 0 | 0 | 0 | 111.9 | M1 F7 A36 Y39 | M1-L3 PolarHBondContact O-N 3.01Å; L3-F7 WeakPolarHBondContact O-CB 3.44Å; L3-F7 PolarHBondContact O-N 3.17Å; L3-A36 HydrophobicContact CB-CB 3.97Å; L3-Y39 HydrophobicContact CB-CD2 4.5Å; L3-Y39 HydrophobicContact CD1-CE2 4.37Å |
| 4 | V | 94.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 56.8 Ų | 56.8 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75.9 | -33.4 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | M1 D2 N8 Y39 H42 | M1-V4 WeakPolarHBondContact O-CB 3.42Å; M1-V4 PolarHBondContact O-N 3.41Å; M1-V4 HydrophobicContact SD-CB 4.11Å; M1-V4 HydrophobicContact SD-CG2 3.98Å; D2-V4 VanDerWaalsContact C-N 3.27Å; D2-V4 PolarHBondContact O-N 3Å; V4-N8 WeakPolarHBondContact CG1-ND2 3.48Å; V4-N8 VanDerWaalsContact O-CB 3.3Å; V4-N8 WeakPolarHBondContact O-CB 3.26Å; V4-N8 PolarHBondContact O-N 3.47Å; V4-N8 PolarHBondContact O-ND2 2.88Å; V4-Y39 HydrophobicContact CG2-CD1 4.43Å; V4-Y39 HydrophobicContact CG2-CD2 3.68Å; V4-Y39 HydrophobicContact CG2-CG 3.58Å; V4-H42 HydrophobicContact CG1-CB 3.99Å; V4-H42 HydrophobicContact CG2-CB 4.41Å |
| 5 | A | 95.9 | Very high | 93.9 | Very high | 56 Ų | 56 | 57 Ų | 57 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.9 | -48.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | M1 D2 F7 N8 T9 | M1-A5 PolarHBondContact O-N 2.94Å; D2-A5 WeakPolarHBondContact O-CB 3.46Å; D2-A5 PolarHBondContact O-N 3.18Å; A5-F7 PolarHBondContact O-N 3.15Å; A5-N8 PolarHBondContact O-N 2.94Å; A5-N8 VanDerWaalsContact O-N 3.15Å; A5-T9 PolarHBondContact O-N 3.46Å; A5-T9 PolarHBondContact O-OG1 3.41Å |
| 6 | A | 95.7 | Very high | 93.5 | Very high | 54 Ų | 54 | 61.3 Ų | 61.3 | 45% | 0.446 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D2 N8 T9 E10 | D2-A6 WeakPolarHBondContact O-CB 3.3Å; D2-A6 PolarHBondContact O-N 3.2Å; A6-N8 VanDerWaalsContact C-N 3.33Å; A6-N8 PolarHBondContact O-N 3.36Å; A6-T9 PolarHBondContact O-N 3.47Å; A6-E10 PolarHBondContact O-N 2.81Å |
| 7 | F | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.6 | -44.8 | 173 | 173.8 | -101.4 | 0 | 0 | 0 | 112.2 | L3 A5 T9 E10 L11 I29 A32 A33 V43 V47 I69 | L3-F7 WeakPolarHBondContact O-CB 3.44Å; L3-F7 PolarHBondContact O-N 3.17Å; A5-F7 PolarHBondContact O-N 3.15Å; F7-T9 VanDerWaalsContact C-N 3.32Å; F7-T9 PolarHBondContact O-N 3.19Å; F7-E10 PolarHBondContact O-N 2.93Å; F7-L11 HydrophobicContact CE1-CB 4.34Å; F7-L11 HydrophobicContact CE1-CD2 3.73Å; F7-L11 HydrophobicContact CZ-CB 4.26Å; F7-L11 HydrophobicContact CZ-CD2 3.94Å; F7-L11 VanDerWaalsContact O-CB 3.3Å; F7-L11 WeakPolarHBondContact O-CB 3.3Å; F7-L11 PolarHBondContact O-N 3.37Å; F7-I29 HydrophobicContact CE2-CG2 3.69Å; F7-I29 HydrophobicContact CZ-CG2 4.34Å; F7-A32 HydrophobicContact CB-CB 4.26Å; F7-A32 HydrophobicContact CD2-CB 4.02Å; F7-A33 HydrophobicContact CD2-CB 3.96Å; F7-A33 HydrophobicContact CE2-CB 3.76Å; F7-V43 HydrophobicContact CD1-CB 4.43Å; F7-V43 HydrophobicContact CD1-CG1 4.03Å; F7-V43 HydrophobicContact CD1-CG2 4.34Å; F7-V43 HydrophobicContact CD2-CG1 4.29Å; F7-V43 HydrophobicContact CE1-CB 4.35Å; F7-V43 HydrophobicContact CE1-CG1 3.71Å; F7-V43 HydrophobicContact CE2-CG1 3.98Å; F7-V43 HydrophobicContact CG-CG1 4.32Å; F7-V43 HydrophobicContact CZ-CG1 3.69Å; F7-V47 HydrophobicContact CE1-CG2 4.14Å; F7-V47 HydrophobicContact CZ-CG2 3.65Å; F7-I69 HydrophobicContact CE2-CD1 4.3Å; F7-I69 HydrophobicContact CZ-CD1 4.39Å |
| 8 | N | 96.1 | Very high | 92.2 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 14% | 0.144 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.9 | -28.3 | 179 | -86.1 | -62.1 | 0 | 0 | 0 | 113.7 | V4 A5 A6 R12 S46 | V4-N8 WeakPolarHBondContact CG1-ND2 3.48Å; V4-N8 VanDerWaalsContact O-CB 3.3Å; V4-N8 WeakPolarHBondContact O-CB 3.26Å; V4-N8 PolarHBondContact O-N 3.47Å; V4-N8 PolarHBondContact O-ND2 2.88Å; A5-N8 PolarHBondContact O-N 2.94Å; A5-N8 VanDerWaalsContact O-N 3.15Å; A6-N8 VanDerWaalsContact C-N 3.33Å; A6-N8 PolarHBondContact O-N 3.36Å; N8-R12 WeakPolarHBondContact O-CB 3.38Å; N8-R12 WeakPolarHBondContact O-CG 3.3Å; N8-R12 PolarHBondContact O-N 3.37Å; N8-S46 WeakPolarHBondContact OD1-CB 3.25Å; N8-S46 PolarHBondContact OD1-OG 3.05Å |
| 9 | T | 95.8 | Very high | 91.9 | Very high | 89 Ų | 89 | 66.5 Ų | 66.5 | 55% | 0.546 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.7 | -43.5 | 171.8 | -60 | 0 | 0 | 0 | 0 | 111.3 | A5 A6 F7 S13 | A5-T9 PolarHBondContact O-N 3.46Å; A5-T9 PolarHBondContact O-OG1 3.41Å; A6-T9 PolarHBondContact O-N 3.47Å; F7-T9 VanDerWaalsContact C-N 3.32Å; F7-T9 PolarHBondContact O-N 3.19Å; T9-S13 PolarHBondContact O-N 2.97Å; T9-S13 VanDerWaalsContact O-N 3.09Å; T9-S13 PolarHBondContact O-OG 3.34Å |
| 10 | E | 96.2 | Very high | 91.4 | Very high | 54 Ų | 54 | 69.5 Ų | 69.5 | 25% | 0.252 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 174 | -82.1 | -72.1 | 177.5 | 0 | 0 | 112.4 | A6 F7 S13 K25 S28 I29 A32 | A6-E10 PolarHBondContact O-N 2.81Å; F7-E10 PolarHBondContact O-N 2.93Å; E10-S13 PolarHBondContact O-OG 2.86Å; E10-K25 VanDerWaalsContact O-CE 3.31Å; E10-K25 WeakPolarHBondContact O-CE 3.26Å; E10-K25 PolarHBondContact O-NZ 2.9Å; E10-K25 IonicContact OE2-NZ 2.71Å; E10-K25 PolarHBondContact OE2-NZ 2.89Å; E10-S28 VanDerWaalsContact CD-OG 3.25Å; E10-S28 PolarHBondContact OE1-OG 2.97Å; E10-S28 WeakPolarHBondContact OE2-CB 3.42Å; E10-S28 PolarHBondContact OE2-OG 3.47Å; E10-I29 HydrophobicContact CB-CG1 4.13Å; E10-A32 HydrophobicContact CB-CB 4.37Å; E10-A32 HydrophobicContact CG-CB 4.25Å |
| 11 | L | 96.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 67.5 Ų | 67.5 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 178.1 | 178.7 | 62.1 | 0 | 0 | 0 | 112.4 | F7 L14 I29 V47 F50 V65 | F7-L11 HydrophobicContact CE1-CB 4.34Å; F7-L11 HydrophobicContact CE1-CD2 3.73Å; F7-L11 HydrophobicContact CZ-CB 4.26Å; F7-L11 HydrophobicContact CZ-CD2 3.94Å; F7-L11 VanDerWaalsContact O-CB 3.3Å; F7-L11 WeakPolarHBondContact O-CB 3.3Å; F7-L11 PolarHBondContact O-N 3.37Å; L11-L14 VanDerWaalsContact O-CB 3.24Å; L11-L14 WeakPolarHBondContact O-CB 3.5Å; L11-L14 PolarHBondContact O-N 2.93Å; L11-I29 HydrophobicContact CD1-CG2 4.49Å; L11-V47 HydrophobicContact CD2-CG2 4.18Å; L11-F50 HydrophobicContact CD1-CB 4.49Å; L11-F50 HydrophobicContact CD1-CD1 4.3Å; L11-F50 HydrophobicContact CD1-CD2 4.39Å; L11-F50 HydrophobicContact CD1-CG 4.13Å; L11-F50 HydrophobicContact CD2-CB 4.12Å; L11-F50 HydrophobicContact CG-CB 4.43Å; L11-F50 HydrophobicContact CG-CD2 4.26Å; L11-F50 HydrophobicContact CG-CG 4.3Å; L11-V65 HydrophobicContact CD1-CG1 4.39Å |
| 12 | R | 94.6 | Very high | 91.9 | Very high | 151 Ų | 151 | 65 Ų | 65 | 57% | 0.57 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63 | -46.3 | 175.1 | -86.9 | -173.2 | -82 | -83.3 | 9.8 | 111.5 | N8 L14 T15 | N8-R12 WeakPolarHBondContact O-CB 3.38Å; N8-R12 WeakPolarHBondContact O-CG 3.3Å; N8-R12 PolarHBondContact O-N 3.37Å; R12-L14 PolarHBondContact O-N 3.19Å; R12-T15 PolarHBondContact O-N 3.28Å; R12-T15 PolarHBondContact O-OG1 2.97Å |
| 13 | S | 94.1 | Very high | 91.9 | Very high | 34 Ų | 34 | 70 Ų | 70 | 24% | 0.238 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 14.4 | 178.1 | 50.4 | 0 | 0 | 0 | 0 | 115.1 | T9 E10 D16 K25 | T9-S13 PolarHBondContact O-N 2.97Å; T9-S13 VanDerWaalsContact O-N 3.09Å; T9-S13 PolarHBondContact O-OG 3.34Å; E10-S13 PolarHBondContact O-OG 2.86Å; S13-D16 VanDerWaalsContact CA-OD2 3.31Å; S13-D16 WeakPolarHBondContact CA-OD2 3.39Å; S13-D16 WeakPolarHBondContact CB-OD2 3.31Å; S13-K25 WeakPolarHBondContact O-CE 3.36Å; S13-K25 PolarHBondContact OG-NZ 3.49Å |
| 14 | L | 91.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -37.7 | 157.3 | -163.9 | 85.2 | 0 | 0 | 0 | 111.3 | L11 R12 D16 S17 V21 I29 F50 Y58 P61 | L11-L14 VanDerWaalsContact O-CB 3.24Å; L11-L14 WeakPolarHBondContact O-CB 3.5Å; L11-L14 PolarHBondContact O-N 2.93Å; R12-L14 PolarHBondContact O-N 3.19Å; L14-D16 PolarHBondContact O-N 3.46Å; L14-S17 PolarHBondContact O-N 3.23Å; L14-S17 PolarHBondContact O-OG 2.86Å; L14-V21 HydrophobicContact CD1-CG1 3.75Å; L14-V21 HydrophobicContact CD1-CG2 4.09Å; L14-V21 HydrophobicContact CG-CG2 4.42Å; L14-I29 HydrophobicContact CB-CD1 4.36Å; L14-I29 HydrophobicContact CD1-CD1 3.58Å; L14-F50 HydrophobicContact CB-CZ 4.32Å; L14-F50 HydrophobicContact CD2-CE1 3.65Å; L14-F50 HydrophobicContact CD2-CZ 3.58Å; L14-Y58 HydrophobicContact CD2-CD1 4.29Å; L14-Y58 HydrophobicContact CG-CD1 4.43Å; L14-Y58 VanDerWaalsContact O-CE1 3.3Å; L14-Y58 WeakPolarHBondContact O-CE1 3.33Å; L14-P61 HydrophobicContact CD2-CB 3.87Å |
| 15 | T | 89.5 | Confident | 91.9 | Very high | 60 Ų | 60 | 71 Ų | 71 | 37% | 0.368 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.1 | -179.4 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | R12 F50 Y58 | R12-T15 PolarHBondContact O-N 3.28Å; R12-T15 PolarHBondContact O-OG1 2.97Å; T15-F50 HydrophobicContact CG2-CE2 4.05Å; T15-F50 HydrophobicContact CG2-CZ 4.29Å; T15-Y58 PolarHBondContact O-OH 3.21Å; T15-Y58 VanDerWaalsContact O-OH 3.05Å |
| 16 | D | 87.8 | Confident | 91.9 | Very high | 126 Ų | 126 | 69.4 Ų | 69.4 | 67% | 0.674 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -4.5 | -178.1 | -39.9 | -26.9 | 0 | 0 | 0 | 110.7 | S13 L14 | S13-D16 VanDerWaalsContact CA-OD2 3.31Å; S13-D16 WeakPolarHBondContact CA-OD2 3.39Å; S13-D16 WeakPolarHBondContact CB-OD2 3.31Å; L14-D16 PolarHBondContact O-N 3.46Å |
| 17 | S | 82.9 | Confident | 91.9 | Very high | 23 Ų | 23 | 68.4 Ų | 68.4 | 16% | 0.161 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -94.7 | 128.9 | -178.8 | 72.9 | 0 | 0 | 0 | 0 | 111.3 | L14 L19 Y58 | L14-S17 PolarHBondContact O-N 3.23Å; L14-S17 PolarHBondContact O-OG 2.86Å; S17-L19 PolarHBondContact O-N 3.5Å; S17-Y58 PolarHBondContact O-OH 3.49Å |
| 18 | Q | 81.4 | Confident | 91.9 | Very high | 181 Ų | 181 | 69.7 Ų | 69.7 | 85% | 0.846 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 138.2 | 176 | -67.2 | -176.9 | -2.3 | 0 | 0 | 110.8 | P20 | Q18-P20 CarbonylContact O-C 3.52Š|
| 19 | L | 85.2 | Confident | 91.9 | Very high | 79 Ų | 79 | 68.4 Ų | 68.4 | 41% | 0.414 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -83 | 137.7 | 176 | -62.6 | 178.1 | 0 | 0 | 0 | 110.2 | S17 V21 E57 Y58 P61 | S17-L19 PolarHBondContact O-N 3.5Å; L19-V21 HydrophobicContact CD2-CG2 3.59Å; L19-E57 HydrophobicContact CD1-CB 3.84Å; L19-Y58 HydrophobicContact CD1-CE1 4.35Å; L19-Y58 HydrophobicContact CD2-CD1 4.15Å; L19-Y58 HydrophobicContact CD2-CE1 3.71Å; L19-Y58 HydrophobicContact CG-CE1 4.16Å; L19-P61 HydrophobicContact CD2-CG 4.01Å |
| 20 | P | 83.4 | Confident | 92 | Very high | 126 Ų | 126 | 64.6 Ų | 64.6 | 82% | 0.818 | 34% | 0.343 | S | S | * | . | S | Bend | cis | -77 | 139.4 | 3 | 31.5 | -35.5 | 0 | 0 | 0 | 113.7 | Q18 S22 | Q18-P20 CarbonylContact O-C 3.52Å; P20-S22 PolarHBondContact O-N 2.91Å |
| 21 | V | 90.1 | Very high | 92 | Very high | 28 Ų | 28 | 68.4 Ų | 68.4 | 17% | 0.17 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 130.1 | -177.8 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | L14 L19 K25 M26 P61 | L14-V21 HydrophobicContact CD1-CG1 3.75Å; L14-V21 HydrophobicContact CD1-CG2 4.09Å; L14-V21 HydrophobicContact CG-CG2 4.42Å; L19-V21 HydrophobicContact CD2-CG2 3.59Å; V21-K25 HydrophobicContact CG1-CB 4.16Å; V21-K25 HydrophobicContact CG1-CG 4.21Å; V21-M26 HydrophobicContact CG1-CE 4.25Å; V21-P61 HydrophobicContact CG2-CB 3.93Å; V21-P61 HydrophobicContact CG2-CG 4.06Å |
| 22 | S | 93.1 | Very high | 92.1 | Very high | 64 Ų | 64 | 69 Ų | 69 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 143.8 | -177.8 | 78.7 | 0 | 0 | 0 | 0 | 113.2 | P20 A24 K25 M26 | P20-S22 PolarHBondContact O-N 2.91Å; S22-A24 PolarHBondContact O-N 2.95Å; S22-A24 VanDerWaalsContact O-N 3.15Å; S22-K25 PolarHBondContact O-N 3.18Å; S22-K25 WeakPolarHBondContact OG-CB 3.34Å; S22-K25 PolarHBondContact OG-N 3.47Å; S22-M26 PolarHBondContact O-N 3.48Å |
| 23 | R | 92.9 | Very high | 92.2 | Very high | 230 Ų | 230 | 61.8 Ų | 61.8 | 87% | 0.868 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -54.6 | -33.5 | 173.9 | -174 | 178.2 | -179.4 | -177.1 | 1.3 | 112.3 | A27 | R23-A27 WeakPolarHBondContact O-CB 3.21Å; R23-A27 PolarHBondContact O-N 2.98Å |
| 24 | A | 94.4 | Very high | 92.3 | Very high | 71 Ų | 71 | 61.2 Ų | 61.2 | 59% | 0.587 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S22 S28 | S22-A24 PolarHBondContact O-N 2.95Å; S22-A24 VanDerWaalsContact O-N 3.15Å; A24-S28 PolarHBondContact O-N 3.19Å; A24-S28 VanDerWaalsContact O-N 3.08Å |
| 25 | K | 95 | Very high | 92.5 | Very high | 33 Ų | 33 | 68.7 Ų | 68.7 | 14% | 0.143 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68 | -46.1 | 176.8 | -179.1 | 56.1 | 177.2 | 177.8 | 0 | 111.6 | E10 S13 V21 S22 A27 S28 I29 | E10-K25 VanDerWaalsContact O-CE 3.31Å; E10-K25 WeakPolarHBondContact O-CE 3.26Å; E10-K25 PolarHBondContact O-NZ 2.9Å; E10-K25 IonicContact OE2-NZ 2.71Å; E10-K25 PolarHBondContact OE2-NZ 2.89Å; S13-K25 WeakPolarHBondContact O-CE 3.36Å; S13-K25 PolarHBondContact OG-NZ 3.49Å; V21-K25 HydrophobicContact CG1-CB 4.16Å; V21-K25 HydrophobicContact CG1-CG 4.21Å; S22-K25 PolarHBondContact O-N 3.18Å; S22-K25 WeakPolarHBondContact OG-CB 3.34Å; S22-K25 PolarHBondContact OG-N 3.47Å; K25-A27 VanDerWaalsContact C-N 3.33Å; K25-A27 PolarHBondContact O-N 3.42Å; K25-S28 WeakPolarHBondContact O-CA 3.36Å; K25-S28 WeakPolarHBondContact O-CB 3.37Å; K25-S28 PolarHBondContact O-N 2.87Å; K25-I29 HydrophobicContact CG-CD1 4.43Å; K25-I29 PolarHBondContact O-N 2.76Å; K25-I29 VanDerWaalsContact O-N 3.16Å |
| 26 | M | 96.3 | Very high | 92.7 | Very high | 24 Ų | 24 | 65.8 Ų | 65.8 | 12% | 0.118 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.2 | -49.6 | 175.6 | -167.5 | 59.7 | 64.1 | 0 | 0 | 111 | V21 S22 S28 I29 T30 V65 A68 | V21-M26 HydrophobicContact CG1-CE 4.25Å; S22-M26 PolarHBondContact O-N 3.48Å; M26-S28 PolarHBondContact O-N 3.31Å; M26-I29 PolarHBondContact O-N 3.23Å; M26-T30 PolarHBondContact O-N 2.92Å; M26-T30 PolarHBondContact O-OG1 2.99Å; M26-T30 VanDerWaalsContact O-OG1 3.1Å; M26-V65 HydrophobicContact CE-CG2 4.09Å; M26-V65 HydrophobicContact SD-CB 4.31Å; M26-V65 HydrophobicContact SD-CG2 3.57Å; M26-V65 VanDerWaalsContact SD-CG2 3.57Å; M26-A68 HydrophobicContact CG-CB 4.11Å; M26-A68 HydrophobicContact SD-CB 4.41Å |
| 27 | A | 95.4 | Very high | 93.1 | Very high | 33 Ų | 33 | 62.2 Ų | 62.2 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.3 | -23.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R23 K25 R31 | R23-A27 WeakPolarHBondContact O-CB 3.21Å; R23-A27 PolarHBondContact O-N 2.98Å; K25-A27 VanDerWaalsContact C-N 3.33Å; K25-A27 PolarHBondContact O-N 3.42Å; A27-R31 WeakPolarHBondContact O-CB 3.29Å; A27-R31 VanDerWaalsContact O-CG 3.24Å; A27-R31 WeakPolarHBondContact O-CG 3.38Å; A27-R31 PolarHBondContact O-N 3.34Å; A27-R31 PolarHBondContact O-NE 3.19Å; A27-R31 PolarHBondContact O-NH1 3.05Å |
| 28 | S | 96.7 | Very high | 93.6 | Very high | 27 Ų | 27 | 70.3 Ų | 70.3 | 19% | 0.189 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.9 | -48.5 | 172.1 | -148.9 | 0 | 0 | 0 | 0 | 111.4 | E10 A24 K25 M26 T30 R31 A32 | E10-S28 VanDerWaalsContact CD-OG 3.25Å; E10-S28 PolarHBondContact OE1-OG 2.97Å; E10-S28 WeakPolarHBondContact OE2-CB 3.42Å; E10-S28 PolarHBondContact OE2-OG 3.47Å; A24-S28 PolarHBondContact O-N 3.19Å; A24-S28 VanDerWaalsContact O-N 3.08Å; K25-S28 WeakPolarHBondContact O-CA 3.36Å; K25-S28 WeakPolarHBondContact O-CB 3.37Å; K25-S28 PolarHBondContact O-N 2.87Å; M26-S28 PolarHBondContact O-N 3.31Å; S28-T30 PolarHBondContact O-N 3.01Å; S28-R31 VanDerWaalsContact CA-NH2 3.33Å; S28-R31 PolarHBondContact O-N 3.26Å; S28-A32 PolarHBondContact O-N 3.16Å |
| 29 | I | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.1 | -46 | 177.1 | -62 | 167.5 | 0 | 0 | 0 | 110.2 | F7 E10 L11 L14 K25 M26 A32 A33 V65 | F7-I29 HydrophobicContact CE2-CG2 3.69Å; F7-I29 HydrophobicContact CZ-CG2 4.34Å; E10-I29 HydrophobicContact CB-CG1 4.13Å; L11-I29 HydrophobicContact CD1-CG2 4.49Å; L14-I29 HydrophobicContact CB-CD1 4.36Å; L14-I29 HydrophobicContact CD1-CD1 3.58Å; K25-I29 HydrophobicContact CG-CD1 4.43Å; K25-I29 PolarHBondContact O-N 2.76Å; K25-I29 VanDerWaalsContact O-N 3.16Å; M26-I29 PolarHBondContact O-N 3.23Å; I29-A32 PolarHBondContact O-N 3.19Å; I29-A33 PolarHBondContact O-N 2.98Å; I29-V65 HydrophobicContact CD1-CG2 4.29Å; I29-V65 HydrophobicContact CG2-CG1 3.81Å; I29-V65 HydrophobicContact CG2-CG2 4.18Å |
| 30 | T | 97.3 | Very high | 94.8 | Very high | 8 Ų | 8 | 64.9 Ų | 64.9 | 5% | 0.049 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 175.9 | -51.5 | 0 | 0 | 0 | 0 | 112.4 | M26 S28 A32 A33 I34 A68 Q72 | M26-T30 PolarHBondContact O-N 2.92Å; M26-T30 PolarHBondContact O-OG1 2.99Å; M26-T30 VanDerWaalsContact O-OG1 3.1Å; S28-T30 PolarHBondContact O-N 3.01Å; T30-A32 VanDerWaalsContact C-N 3.29Å; T30-A32 PolarHBondContact O-N 2.97Å; T30-A33 WeakPolarHBondContact O-CB 3.41Å; T30-A33 PolarHBondContact O-N 2.68Å; T30-I34 HydrophobicContact CG2-CG1 4.47Å; T30-I34 WeakPolarHBondContact O-CG1 3.46Å; T30-I34 PolarHBondContact O-N 3.2Å; T30-A68 WeakPolarHBondContact CG2-O 3.39Å; T30-A68 WeakPolarHBondContact OG1-CB 3.45Å; T30-Q72 HydrophobicContact CG2-CB 3.63Å; T30-Q72 HydrophobicContact CG2-CG 3.79Å |
| 31 | R | 97 | Very high | 95.4 | Very high | 135 Ų | 135 | 64.3 Ų | 64.3 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.6 | -35.8 | 176.2 | -76.1 | -177.2 | -54.9 | -98.4 | -0.6 | 112.3 | A27 S28 K35 | A27-R31 WeakPolarHBondContact O-CB 3.29Å; A27-R31 VanDerWaalsContact O-CG 3.24Å; A27-R31 WeakPolarHBondContact O-CG 3.38Å; A27-R31 PolarHBondContact O-N 3.34Å; A27-R31 PolarHBondContact O-NE 3.19Å; A27-R31 PolarHBondContact O-NH1 3.05Å; S28-R31 VanDerWaalsContact CA-NH2 3.33Å; S28-R31 PolarHBondContact O-N 3.26Å; R31-K35 WeakPolarHBondContact O-CB 3.24Å; R31-K35 VanDerWaalsContact O-CG 3.24Å; R31-K35 WeakPolarHBondContact O-CG 3.43Å; R31-K35 PolarHBondContact O-N 3.48Å; R31-K35 VanDerWaalsContact O-N 3.11Å |
| 32 | A | 97.2 | Very high | 95.7 | Very high | 15 Ų | 15 | 66.8 Ų | 66.8 | 12% | 0.124 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.6 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F7 E10 S28 I29 T30 A36 | F7-A32 HydrophobicContact CB-CB 4.26Å; F7-A32 HydrophobicContact CD2-CB 4.02Å; E10-A32 HydrophobicContact CB-CB 4.37Å; E10-A32 HydrophobicContact CG-CB 4.25Å; S28-A32 PolarHBondContact O-N 3.16Å; I29-A32 PolarHBondContact O-N 3.19Å; T30-A32 VanDerWaalsContact C-N 3.29Å; T30-A32 PolarHBondContact O-N 2.97Å; A32-A36 WeakPolarHBondContact O-CB 3.28Å; A32-A36 PolarHBondContact O-N 3.27Å |
| 33 | A | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.7 | -54 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | F7 I29 T30 K35 A36 L37 V43 I69 Y83 | F7-A33 HydrophobicContact CD2-CB 3.96Å; F7-A33 HydrophobicContact CE2-CB 3.76Å; I29-A33 PolarHBondContact O-N 2.98Å; T30-A33 WeakPolarHBondContact O-CB 3.41Å; T30-A33 PolarHBondContact O-N 2.68Å; A33-K35 VanDerWaalsContact C-N 3.33Å; A33-K35 PolarHBondContact O-N 3.49Å; A33-A36 CarbonylContact O-C 3.4Å; A33-A36 VanDerWaalsContact O-CA 3.31Å; A33-A36 WeakPolarHBondContact O-CA 3.12Å; A33-A36 WeakPolarHBondContact O-CB 3.49Å; A33-A36 PolarHBondContact O-N 2.86Å; A33-L37 PolarHBondContact O-N 2.97Å; A33-V43 HydrophobicContact CB-CG1 3.83Å; A33-I69 HydrophobicContact CB-CD1 3.58Å; A33-I69 HydrophobicContact CB-CG1 3.7Å; A33-I69 HydrophobicContact CB-CG2 4.33Å; A33-Y83 PolarHBondContact O-OH 3.22Å |
| 34 | I | 96 | Very high | 96.1 | Very high | 22 Ų | 22 | 52.8 Ų | 52.8 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -38.7 | -178.8 | -61.2 | -64.5 | 0 | 0 | 0 | 111.4 | T30 A36 L37 Q72 F76 Y77 | T30-I34 HydrophobicContact CG2-CG1 4.47Å; T30-I34 WeakPolarHBondContact O-CG1 3.46Å; T30-I34 PolarHBondContact O-N 3.2Å; I34-A36 PolarHBondContact O-N 2.95Å; I34-L37 WeakPolarHBondContact O-CB 3.38Å; I34-L37 PolarHBondContact O-N 3.07Å; I34-Q72 HydrophobicContact CD1-CB 4.38Å; I34-Q72 HydrophobicContact CD1-CG 4.21Å; I34-Q72 HydrophobicContact CG1-CB 4.44Å; I34-Q72 HydrophobicContact CG1-CG 3.9Å; I34-F76 HydrophobicContact CG2-CD2 4.22Å; I34-F76 HydrophobicContact CG2-CE2 4.49Å; I34-Y77 HydrophobicContact CD1-CE2 4.5Å |
| 35 | K | 95.4 | Very high | 96.2 | Very high | 157 Ų | 157 | 54.3 Ų | 54.3 | 68% | 0.683 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.3 | -30.1 | 170.6 | -77.9 | 175.5 | 178.9 | -176.8 | 0 | 113 | R31 A33 | R31-K35 WeakPolarHBondContact O-CB 3.24Å; R31-K35 VanDerWaalsContact O-CG 3.24Å; R31-K35 WeakPolarHBondContact O-CG 3.43Å; R31-K35 PolarHBondContact O-N 3.48Å; R31-K35 VanDerWaalsContact O-N 3.11Å; A33-K35 VanDerWaalsContact C-N 3.33Å; A33-K35 PolarHBondContact O-N 3.49Å |
| 36 | A | 95.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 17.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L3 A32 A33 I34 K38 Y39 Y40 V43 | L3-A36 HydrophobicContact CB-CB 3.97Å; A32-A36 WeakPolarHBondContact O-CB 3.28Å; A32-A36 PolarHBondContact O-N 3.27Å; A33-A36 CarbonylContact O-C 3.4Å; A33-A36 VanDerWaalsContact O-CA 3.31Å; A33-A36 WeakPolarHBondContact O-CA 3.12Å; A33-A36 WeakPolarHBondContact O-CB 3.49Å; A33-A36 PolarHBondContact O-N 2.86Å; I34-A36 PolarHBondContact O-N 2.95Å; A36-K38 VanDerWaalsContact C-N 3.25Å; A36-K38 PolarHBondContact O-N 3.13Å; A36-K38 VanDerWaalsContact O-N 3.08Å; A36-Y39 CarbonylContact O-C 3.56Å; A36-Y39 WeakPolarHBondContact O-CA 3.45Å; A36-Y39 PolarHBondContact O-N 2.98Å; A36-Y40 PolarHBondContact O-N 3.23Å; A36-V43 HydrophobicContact CB-CG2 3.72Å |
| 37 | L | 94.3 | Very high | 96.4 | Very high | 51 Ų | 51 | 52.7 Ų | 52.7 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -44 | -43.8 | -179.9 | -176.3 | 74.2 | 0 | 0 | 0 | 114.2 | A33 I34 Y39 Y40 Y77 V82 Y83 | A33-L37 PolarHBondContact O-N 2.97Å; I34-L37 WeakPolarHBondContact O-CB 3.38Å; I34-L37 PolarHBondContact O-N 3.07Å; L37-Y39 PolarHBondContact O-N 3.36Å; L37-Y40 WeakPolarHBondContact O-CB 3.29Å; L37-Y40 WeakPolarHBondContact O-CD1 3.33Å; L37-Y40 PolarHBondContact O-N 3.12Å; L37-Y77 HydrophobicContact CD1-CD2 4.47Å; L37-Y77 HydrophobicContact CD1-CE2 3.89Å; L37-Y77 HydrophobicContact CD2-CE1 4.13Å; L37-Y77 HydrophobicContact CD2-CE2 4.24Å; L37-V82 HydrophobicContact CD1-CG2 3.5Å; L37-Y83 HydrophobicContact CD1-CD2 4.32Å; L37-Y83 HydrophobicContact CD1-CE2 3.74Å |
| 38 | K | 93.7 | Very high | 96.4 | Very high | 192 Ų | 192 | 52.5 Ų | 52.5 | 84% | 0.835 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -56.8 | -19.4 | 177.7 | -67.3 | -167.5 | 175.8 | -169.4 | 0 | 113.8 | A36 | A36-K38 VanDerWaalsContact C-N 3.25Å; A36-K38 PolarHBondContact O-N 3.13Å; A36-K38 VanDerWaalsContact O-N 3.08Å |
| 39 | Y | 96 | Very high | 96.4 | Very high | 86 Ų | 86 | 57.5 Ų | 57.5 | 34% | 0.337 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -120.5 | 23.7 | -179.7 | -54.5 | -68.4 | 0 | 0 | 0 | 112.4 | L3 V4 A36 L37 K41 H42 V43 | L3-Y39 HydrophobicContact CB-CD2 4.5Å; L3-Y39 HydrophobicContact CD1-CE2 4.37Å; V4-Y39 HydrophobicContact CG2-CD1 4.43Å; V4-Y39 HydrophobicContact CG2-CD2 3.68Å; V4-Y39 HydrophobicContact CG2-CG 3.58Å; A36-Y39 CarbonylContact O-C 3.56Å; A36-Y39 WeakPolarHBondContact O-CA 3.45Å; A36-Y39 PolarHBondContact O-N 2.98Å; L37-Y39 PolarHBondContact O-N 3.36Å; Y39-K41 PolarHBondContact O-N 2.85Å; Y39-H42 PolarHBondContact O-N 3.46Å; Y39-V43 PolarHBondContact O-N 3.47Å |
| 40 | Y | 96.3 | Very high | 96.4 | Very high | 61 Ų | 61 | 58.7 Ų | 58.7 | 24% | 0.239 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -46.9 | -37.4 | -176.7 | 75.6 | -73.5 | 0 | 0 | 0 | 114 | A36 L37 H42 V43 V44 V82 R86 | A36-Y40 PolarHBondContact O-N 3.23Å; L37-Y40 WeakPolarHBondContact O-CB 3.29Å; L37-Y40 WeakPolarHBondContact O-CD1 3.33Å; L37-Y40 PolarHBondContact O-N 3.12Å; Y40-H42 VanDerWaalsContact C-N 3.31Å; Y40-H42 PolarHBondContact O-N 3.3Å; Y40-V43 PolarHBondContact O-N 2.89Å; Y40-V43 VanDerWaalsContact O-N 3.15Å; Y40-V44 WeakPolarHBondContact O-CG2 3.47Å; Y40-V44 PolarHBondContact O-N 2.94Å; Y40-V82 HydrophobicContact CD1-CB 4.43Å; Y40-V82 HydrophobicContact CD1-CG2 4.07Å; Y40-V82 HydrophobicContact CD2-CB 3.77Å; Y40-V82 HydrophobicContact CD2-CG2 3.7Å; Y40-V82 WeakPolarHBondContact CD2-O 3.47Å; Y40-V82 HydrophobicContact CE1-CB 4.49Å; Y40-V82 HydrophobicContact CE2-CB 3.82Å; Y40-V82 HydrophobicContact CE2-CG2 4.25Å; Y40-V82 VanDerWaalsContact CE2-O 3.29Å; Y40-V82 WeakPolarHBondContact CE2-O 3.32Å; Y40-V82 HydrophobicContact CG-CB 4.08Å; Y40-V82 HydrophobicContact CG-CG2 3.59Å; Y40-R86 HydrophobicContact CD2-CB 4.12Å; Y40-R86 HydrophobicContact CD2-CG 4.01Å; Y40-R86 HydrophobicContact CE2-CB 3.97Å; Y40-R86 HydrophobicContact CE2-CG 3.93Å |
| 41 | K | 96.1 | Very high | 96.3 | Very high | 114 Ų | 114 | 58.3 Ų | 58.3 | 50% | 0.496 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54.8 | -42 | 174.8 | -62.5 | 178.8 | -176.9 | 175.4 | 0 | 112.8 | Y39 Q45 | Y39-K41 PolarHBondContact O-N 2.85Å; K41-Q45 VanDerWaalsContact O-CB 3.3Å; K41-Q45 WeakPolarHBondContact O-CB 3.38Å; K41-Q45 PolarHBondContact O-N 2.95Å |
| 42 | H | 96.7 | Very high | 96.2 | Very high | 80 Ų | 80 | 54.7 Ų | 54.7 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -77.9 | -34.1 | 176.3 | -65.8 | -63.4 | 0 | 0 | 0 | 112.7 | V4 Y39 Y40 S46 | V4-H42 HydrophobicContact CG1-CB 3.99Å; V4-H42 HydrophobicContact CG2-CB 4.41Å; Y39-H42 PolarHBondContact O-N 3.46Å; Y40-H42 VanDerWaalsContact C-N 3.31Å; Y40-H42 PolarHBondContact O-N 3.3Å; H42-S46 VanDerWaalsContact O-CB 3.3Å; H42-S46 WeakPolarHBondContact O-CB 3.48Å; H42-S46 PolarHBondContact O-N 3.06Å; H42-S46 PolarHBondContact O-OG 2.86Å |
| 43 | V | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -53.1 | 175.1 | 177 | 0 | 0 | 0 | 0 | 109.7 | F7 A33 A36 Y39 Y40 S46 V47 Y83 | F7-V43 HydrophobicContact CD1-CB 4.43Å; F7-V43 HydrophobicContact CD1-CG1 4.03Å; F7-V43 HydrophobicContact CD1-CG2 4.34Å; F7-V43 HydrophobicContact CD2-CG1 4.29Å; F7-V43 HydrophobicContact CE1-CB 4.35Å; F7-V43 HydrophobicContact CE1-CG1 3.71Å; F7-V43 HydrophobicContact CE2-CG1 3.98Å; F7-V43 HydrophobicContact CG-CG1 4.32Å; F7-V43 HydrophobicContact CZ-CG1 3.69Å; A33-V43 HydrophobicContact CB-CG1 3.83Å; A36-V43 HydrophobicContact CB-CG2 3.72Å; Y39-V43 PolarHBondContact O-N 3.47Å; Y40-V43 PolarHBondContact O-N 2.89Å; Y40-V43 VanDerWaalsContact O-N 3.15Å; V43-S46 WeakPolarHBondContact O-CB 3.49Å; V43-S46 PolarHBondContact O-N 3.32Å; V43-S46 VanDerWaalsContact O-N 3.15Å; V43-V47 PolarHBondContact O-N 3.37Å; V43-V47 VanDerWaalsContact O-N 3.1Å; V43-Y83 HydrophobicContact CB-CE1 4.02Å; V43-Y83 HydrophobicContact CG1-CE1 3.77Å |
| 44 | V | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58 | -51.3 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | Y40 S46 V47 E48 Y83 R86 F87 | Y40-V44 WeakPolarHBondContact O-CG2 3.47Å; Y40-V44 PolarHBondContact O-N 2.94Å; V44-S46 PolarHBondContact O-N 3.35Å; V44-S46 VanDerWaalsContact O-N 3.15Å; V44-V47 PolarHBondContact O-N 3.2Å; V44-E48 HydrophobicContact CG1-CG 4.17Å; V44-E48 WeakPolarHBondContact CG1-OE1 3.41Å; V44-E48 WeakPolarHBondContact O-CG 3.5Å; V44-E48 PolarHBondContact O-N 2.83Å; V44-Y83 HydrophobicContact CG2-CD1 3.69Å; V44-Y83 HydrophobicContact CG2-CE1 4.08Å; V44-R86 HydrophobicContact CB-CG 4.06Å; V44-R86 HydrophobicContact CG1-CG 4.02Å; V44-R86 HydrophobicContact CG2-CB 4.34Å; V44-R86 HydrophobicContact CG2-CG 3.85Å; V44-F87 HydrophobicContact CB-CD1 4.41Å; V44-F87 HydrophobicContact CB-CE1 4.14Å; V44-F87 HydrophobicContact CB-CZ 4.38Å; V44-F87 HydrophobicContact CG1-CD1 3.62Å; V44-F87 HydrophobicContact CG1-CE1 3.75Å; V44-F87 HydrophobicContact CG1-CG 4.18Å; V44-F87 HydrophobicContact CG1-CZ 4.43Å; V44-F87 HydrophobicContact CG2-CD1 4.24Å; V44-F87 HydrophobicContact CG2-CD2 4.08Å; V44-F87 HydrophobicContact CG2-CE1 4Å; V44-F87 HydrophobicContact CG2-CE2 3.86Å; V44-F87 HydrophobicContact CG2-CG 4.28Å; V44-F87 HydrophobicContact CG2-CZ 3.81Å |
| 45 | Q | 96 | Very high | 95.7 | Very high | 103 Ų | 103 | 64.8 Ų | 64.8 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.2 | -32.7 | 177.8 | -172.4 | -175.9 | 33.5 | 0 | 0 | 113 | K41 E48 K49 | K41-Q45 VanDerWaalsContact O-CB 3.3Å; K41-Q45 WeakPolarHBondContact O-CB 3.38Å; K41-Q45 PolarHBondContact O-N 2.95Å; Q45-E48 WeakPolarHBondContact CA-OE2 3.46Å; Q45-K49 WeakPolarHBondContact O-CB 3.4Å; Q45-K49 PolarHBondContact O-N 3.47Å |
| 46 | S | 97 | Very high | 95.5 | Very high | 22 Ų | 22 | 60.2 Ų | 60.2 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -74.1 | -35.3 | 177.8 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | N8 H42 V43 V44 F50 | N8-S46 WeakPolarHBondContact OD1-CB 3.25Å; N8-S46 PolarHBondContact OD1-OG 3.05Å; H42-S46 VanDerWaalsContact O-CB 3.3Å; H42-S46 WeakPolarHBondContact O-CB 3.48Å; H42-S46 PolarHBondContact O-N 3.06Å; H42-S46 PolarHBondContact O-OG 2.86Å; V43-S46 WeakPolarHBondContact O-CB 3.49Å; V43-S46 PolarHBondContact O-N 3.32Å; V43-S46 VanDerWaalsContact O-N 3.15Å; V44-S46 PolarHBondContact O-N 3.35Å; V44-S46 VanDerWaalsContact O-N 3.15Å; S46-F50 VanDerWaalsContact O-CB 3.3Å; S46-F50 WeakPolarHBondContact O-CB 3.42Å; S46-F50 PolarHBondContact O-N 3.11Å |
| 47 | V | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.1 | -45.5 | 173.8 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | F7 L11 V43 V44 K49 F50 I51 V65 I66 I69 F87 | F7-V47 HydrophobicContact CE1-CG2 4.14Å; F7-V47 HydrophobicContact CZ-CG2 3.65Å; L11-V47 HydrophobicContact CD2-CG2 4.18Å; V43-V47 PolarHBondContact O-N 3.37Å; V43-V47 VanDerWaalsContact O-N 3.1Å; V44-V47 PolarHBondContact O-N 3.2Å; V47-K49 VanDerWaalsContact C-N 3.33Å; V47-K49 PolarHBondContact O-N 2.74Å; V47-F50 WeakPolarHBondContact O-CB 3.49Å; V47-F50 PolarHBondContact O-N 2.71Å; V47-F50 VanDerWaalsContact O-N 3.14Å; V47-I51 HydrophobicContact CG1-CD1 4.04Å; V47-I51 WeakPolarHBondContact O-CG1 3.48Å; V47-I51 PolarHBondContact O-N 2.97Å; V47-V65 HydrophobicContact CG1-CG1 4.18Å; V47-V65 HydrophobicContact CG2-CG1 3.91Å; V47-I66 HydrophobicContact CG1-CD1 4.26Å; V47-I66 HydrophobicContact CG1-CG1 3.64Å; V47-I69 HydrophobicContact CG2-CD1 4.29Å; V47-F87 HydrophobicContact CB-CE1 4.12Å; V47-F87 HydrophobicContact CB-CZ 4.4Å; V47-F87 HydrophobicContact CG1-CE1 4.12Å; V47-F87 HydrophobicContact CG1-CZ 4.44Å |
| 48 | E | 96.8 | Very high | 95.3 | Very high | 29 Ų | 29 | 63.5 Ų | 63.5 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -53.8 | -50.7 | 173.1 | -68.8 | 166.7 | 173.4 | 0 | 0 | 110.9 | V44 Q45 F50 I51 A52 N90 V94 | V44-E48 HydrophobicContact CG1-CG 4.17Å; V44-E48 WeakPolarHBondContact CG1-OE1 3.41Å; V44-E48 WeakPolarHBondContact O-CG 3.5Å; V44-E48 PolarHBondContact O-N 2.83Å; Q45-E48 WeakPolarHBondContact CA-OE2 3.46Å; E48-F50 VanDerWaalsContact C-N 3.3Å; E48-F50 PolarHBondContact O-N 2.94Å; E48-I51 PolarHBondContact O-N 3.31Å; E48-A52 WeakPolarHBondContact O-CB 3.31Å; E48-A52 PolarHBondContact O-N 3.04Å; E48-N90 VanDerWaalsContact CD-ND2 3.29Å; E48-N90 VanDerWaalsContact OE1-CB 3.3Å; E48-N90 WeakPolarHBondContact OE1-CB 3.41Å; E48-N90 PolarHBondContact OE1-ND2 3.08Å; E48-N90 PolarHBondContact OE2-ND2 3.12Å; E48-V94 HydrophobicContact CG-CG2 4.2Å |
| 49 | K | 96 | Very high | 95.4 | Very high | 132 Ų | 132 | 54.9 Ų | 54.9 | 57% | 0.574 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -67.7 | -27.2 | 179.3 | -172.5 | 174.2 | -178.5 | 177.6 | 0 | 113 | Q45 V47 K53 | Q45-K49 WeakPolarHBondContact O-CB 3.4Å; Q45-K49 PolarHBondContact O-N 3.47Å; V47-K49 VanDerWaalsContact C-N 3.33Å; V47-K49 PolarHBondContact O-N 2.74Å; K49-K53 HydrophobicContact CG-CD 4.26Å; K49-K53 WeakPolarHBondContact O-CB 3.35Å; K49-K53 WeakPolarHBondContact O-CG 3.5Å; K49-K53 PolarHBondContact O-N 2.71Å |
| 50 | F | 96.2 | Very high | 95.3 | Very high | 25 Ų | 25 | 51.1 Ų | 51.1 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.9 | -54.2 | 171.1 | 177.6 | -92.6 | 0 | 0 | 0 | 110.6 | L11 L14 T15 S46 V47 E48 A52 K53 C54 | L11-F50 HydrophobicContact CD1-CB 4.49Å; L11-F50 HydrophobicContact CD1-CD1 4.3Å; L11-F50 HydrophobicContact CD1-CD2 4.39Å; L11-F50 HydrophobicContact CD1-CG 4.13Å; L11-F50 HydrophobicContact CD2-CB 4.12Å; L11-F50 HydrophobicContact CG-CB 4.43Å; L11-F50 HydrophobicContact CG-CD2 4.26Å; L11-F50 HydrophobicContact CG-CG 4.3Å; L14-F50 HydrophobicContact CB-CZ 4.32Å; L14-F50 HydrophobicContact CD2-CE1 3.65Å; L14-F50 HydrophobicContact CD2-CZ 3.58Å; T15-F50 HydrophobicContact CG2-CE2 4.05Å; T15-F50 HydrophobicContact CG2-CZ 4.29Å; S46-F50 VanDerWaalsContact O-CB 3.3Å; S46-F50 WeakPolarHBondContact O-CB 3.42Å; S46-F50 PolarHBondContact O-N 3.11Å; V47-F50 WeakPolarHBondContact O-CB 3.49Å; V47-F50 PolarHBondContact O-N 2.71Å; V47-F50 VanDerWaalsContact O-N 3.14Å; E48-F50 VanDerWaalsContact C-N 3.3Å; E48-F50 PolarHBondContact O-N 2.94Å; F50-A52 VanDerWaalsContact C-N 3.27Å; F50-A52 PolarHBondContact O-N 2.76Å; F50-K53 CarbonylContact O-C 3.56Å; F50-K53 PolarHBondContact O-N 3.28Å; F50-C54 HydrophobicContact CD1-CB 4.34Å; F50-C54 HydrophobicContact CE1-CB 3.94Å; F50-C54 HydrophobicContact CE2-CB 4.24Å; F50-C54 HydrophobicContact CZ-CB 3.87Å; F50-C54 WeakPolarHBondContact O-CB 3.25Å; F50-C54 PolarHBondContact O-N 3.09Å; F50-C54 PolarHBondContact O-SG 2.82Å |
| 51 | I | 96.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.7 | -39.1 | -179.8 | -64.8 | 168.1 | 0 | 0 | 0 | 111.4 | V47 E48 K53 K59 I66 V94 L98 | V47-I51 HydrophobicContact CG1-CD1 4.04Å; V47-I51 WeakPolarHBondContact O-CG1 3.48Å; V47-I51 PolarHBondContact O-N 2.97Å; E48-I51 PolarHBondContact O-N 3.31Å; I51-K53 VanDerWaalsContact C-N 3.27Å; I51-K53 PolarHBondContact O-N 2.92Å; I51-K59 PolarHBondContact O-NZ 2.85Å; I51-I66 HydrophobicContact CD1-CD1 3.52Å; I51-I66 HydrophobicContact CD1-CG1 4.07Å; I51-V94 HydrophobicContact CD1-CG1 3.93Å; I51-V94 HydrophobicContact CG2-CG1 4.27Å; I51-L98 HydrophobicContact CG2-CD2 3.58Å; I51-L98 HydrophobicContact CG2-CG 3.87Å |
| 52 | A | 94.7 | Very high | 95.2 | Very high | 58 Ų | 58 | 43.4 Ų | 43.4 | 48% | 0.479 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.1 | -29.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E48 F50 | E48-A52 WeakPolarHBondContact O-CB 3.31Å; E48-A52 PolarHBondContact O-N 3.04Å; F50-A52 VanDerWaalsContact C-N 3.27Å; F50-A52 PolarHBondContact O-N 2.76Å |
| 53 | K | 94 | Very high | 95.2 | Very high | 167 Ų | 167 | 39.6 Ų | 39.6 | 73% | 0.726 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -113 | -13.6 | -170.9 | -70.2 | -177.5 | 170.2 | -103.8 | 0 | 115.8 | K49 F50 I51 | K49-K53 HydrophobicContact CG-CD 4.26Å; K49-K53 WeakPolarHBondContact O-CB 3.35Å; K49-K53 WeakPolarHBondContact O-CG 3.5Å; K49-K53 PolarHBondContact O-N 2.71Å; F50-K53 CarbonylContact O-C 3.56Å; F50-K53 PolarHBondContact O-N 3.28Å; I51-K53 VanDerWaalsContact C-N 3.27Å; I51-K53 PolarHBondContact O-N 2.92Å |
| 54 | C | 93 | Very high | 95.1 | Very high | 18 Ų | 18 | 43.7 Ų | 43.7 | 12% | 0.122 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -74.3 | 156.1 | -178.2 | 68.8 | 0 | 0 | 0 | 0 | 112.6 | F50 K59 | F50-C54 HydrophobicContact CD1-CB 4.34Å; F50-C54 HydrophobicContact CE1-CB 3.94Å; F50-C54 HydrophobicContact CE2-CB 4.24Å; F50-C54 HydrophobicContact CZ-CB 3.87Å; F50-C54 WeakPolarHBondContact O-CB 3.25Å; F50-C54 PolarHBondContact O-N 3.09Å; F50-C54 PolarHBondContact O-SG 2.82Å; C54-K59 WeakPolarHBondContact O-CE 3.36Å |
| 55 | S | 92.6 | Very high | 95.1 | Very high | 64 Ų | 64 | 43.7 Ų | 43.7 | 45% | 0.448 | 22% | 0.223 | S | C | . | . | trans | -55.3 | 154 | 172.8 | -43.4 | 0 | 0 | 0 | 0 | 111.5 | E57 Y58 | S55-E57 PolarHBondContact O-N 3.42Å; S55-Y58 PolarHBondContact O-N 3.21Å | ||
| 56 | P | 92.7 | Very high | 95.2 | Very high | 61 Ų | 61 | 38.8 Ų | 38.8 | 40% | 0.396 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -53.5 | -31.3 | -178.7 | 20.9 | -34.4 | 0 | 0 | 0 | 113.8 | Y58 K59 N100 I102 | P56-Y58 VanDerWaalsContact C-N 3.34Å; P56-Y58 PolarHBondContact O-N 2.86Å; P56-K59 WeakPolarHBondContact O-CB 3.47Å; P56-K59 VanDerWaalsContact O-CG 3.26Å; P56-K59 WeakPolarHBondContact O-CG 3.48Å; P56-K59 PolarHBondContact O-N 3.34Å; P56-N100 WeakPolarHBondContact CA-O 3.5Å; P56-N100 WeakPolarHBondContact CB-O 3.45Å; P56-I102 HydrophobicContact CB-CG1 4.1Å |
| 57 | E | 92 | Very high | 95.2 | Very high | 95 Ų | 95 | 39 Ų | 39 | 44% | 0.444 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -59.6 | -34.3 | 174.7 | -66.8 | 162.4 | -170 | 0 | 0 | 114.4 | L19 S55 P61 I102 | L19-E57 HydrophobicContact CD1-CB 3.84Å; S55-E57 PolarHBondContact O-N 3.42Å; E57-P61 WeakPolarHBondContact O-CD 3.07Å; E57-I102 HydrophobicContact CG-CD1 3.68Å |
| 58 | Y | 93.6 | Very high | 95.1 | Very high | 25 Ų | 25 | 40 Ų | 40 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -97.9 | 5.2 | -174.3 | -68.8 | -76.6 | 0 | 0 | 0 | 113.4 | L14 T15 S17 L19 S55 P56 P61 G62 | L14-Y58 HydrophobicContact CD2-CD1 4.29Å; L14-Y58 HydrophobicContact CG-CD1 4.43Å; L14-Y58 VanDerWaalsContact O-CE1 3.3Å; L14-Y58 WeakPolarHBondContact O-CE1 3.33Å; T15-Y58 PolarHBondContact O-OH 3.21Å; T15-Y58 VanDerWaalsContact O-OH 3.05Å; S17-Y58 PolarHBondContact O-OH 3.49Å; L19-Y58 HydrophobicContact CD1-CE1 4.35Å; L19-Y58 HydrophobicContact CD2-CD1 4.15Å; L19-Y58 HydrophobicContact CD2-CE1 3.71Å; L19-Y58 HydrophobicContact CG-CE1 4.16Å; S55-Y58 PolarHBondContact O-N 3.21Å; P56-Y58 VanDerWaalsContact C-N 3.34Å; P56-Y58 PolarHBondContact O-N 2.86Å; Y58-P61 HydrophobicContact CD1-CB 4.5Å; Y58-G62 PolarHBondContact O-N 2.98Å |
| 59 | K | 94.5 | Very high | 95.2 | Very high | 12 Ų | 12 | 38.6 Ų | 38.6 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -56.1 | 178.6 | -64.6 | -70.1 | -179.3 | 168.9 | 0 | 111.8 | I51 C54 P56 G62 L63 S97 L98 C101 | I51-K59 PolarHBondContact O-NZ 2.85Å; C54-K59 WeakPolarHBondContact O-CE 3.36Å; P56-K59 WeakPolarHBondContact O-CB 3.47Å; P56-K59 VanDerWaalsContact O-CG 3.26Å; P56-K59 WeakPolarHBondContact O-CG 3.48Å; P56-K59 PolarHBondContact O-N 3.34Å; K59-G62 WeakPolarHBondContact O-CA 3.29Å; K59-G62 PolarHBondContact O-N 2.63Å; K59-G62 VanDerWaalsContact O-N 3.1Å; K59-L63 PolarHBondContact O-N 2.87Å; K59-S97 WeakPolarHBondContact CD-O 3.37Å; K59-S97 WeakPolarHBondContact CE-O 3.34Å; K59-S97 PolarHBondContact NZ-O 2.93Å; K59-L98 HydrophobicContact CB-CD2 3.88Å; K59-L98 HydrophobicContact CD-CD2 4.48Å; K59-L98 WeakPolarHBondContact O-CD2 3.38Å; K59-C101 HydrophobicContact CB-CB 3.73Å; K59-C101 HydrophobicContact CG-CB 4.08Å |
| 60 | V | 94.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.036 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | 177.6 | 170.4 | 0 | 0 | 0 | 0 | 112.2 | G62 L63 Y64 D105 M108 L109 | V60-G62 PolarHBondContact O-N 3.02Å; V60-L63 WeakPolarHBondContact O-CB 3.21Å; V60-L63 PolarHBondContact O-N 2.72Å; V60-L63 VanDerWaalsContact O-N 3.07Å; V60-Y64 HydrophobicContact CG1-CD1 4.1Å; V60-Y64 HydrophobicContact CG1-CD2 4.49Å; V60-Y64 HydrophobicContact CG1-CE1 3.47Å; V60-Y64 VanDerWaalsContact CG1-CE1 3.47Å; V60-Y64 HydrophobicContact CG1-CE2 3.92Å; V60-Y64 WeakPolarHBondContact O-CD1 3.49Å; V60-Y64 PolarHBondContact O-N 3.36Å; V60-D105 HydrophobicContact CG2-CB 3.92Å; V60-M108 HydrophobicContact CG1-CB 4Å; V60-M108 HydrophobicContact CG1-SD 4Å; V60-M108 HydrophobicContact CG2-CB 4.27Å; V60-L109 HydrophobicContact CG2-CD2 3.86Å; V60-L109 HydrophobicContact CG2-CG 4.47Å |
| 61 | P | 94.5 | Very high | 95.1 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 8% | 0.084 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -52.2 | -37.7 | 167.1 | -32 | 37.4 | 0 | 0 | 0 | 114.7 | L14 L19 V21 E57 Y58 Y64 V65 | L14-P61 HydrophobicContact CD2-CB 3.87Å; L19-P61 HydrophobicContact CD2-CG 4.01Å; V21-P61 HydrophobicContact CG2-CB 3.93Å; V21-P61 HydrophobicContact CG2-CG 4.06Å; E57-P61 WeakPolarHBondContact O-CD 3.07Å; Y58-P61 HydrophobicContact CD1-CB 4.5Å; P61-Y64 PolarHBondContact O-N 3.11Å; P61-V65 PolarHBondContact O-N 3.46Å; P61-V65 VanDerWaalsContact O-N 3.16Å |
| 62 | G | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.2 | -39.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y58 K59 V60 Y64 V65 I66 | Y58-G62 PolarHBondContact O-N 2.98Å; K59-G62 WeakPolarHBondContact O-CA 3.29Å; K59-G62 PolarHBondContact O-N 2.63Å; K59-G62 VanDerWaalsContact O-N 3.1Å; V60-G62 PolarHBondContact O-N 3.02Å; G62-Y64 VanDerWaalsContact C-N 3.33Å; G62-V65 WeakPolarHBondContact O-CB 3.43Å; G62-V65 PolarHBondContact O-N 3.47Å; G62-I66 PolarHBondContact O-N 2.88Å |
| 63 | L | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63 | -39 | 171.4 | 179.1 | 62.3 | 0 | 0 | 0 | 111.7 | K59 V60 V65 I66 D67 F95 L98 L109 M112 W116 | K59-L63 PolarHBondContact O-N 2.87Å; V60-L63 WeakPolarHBondContact O-CB 3.21Å; V60-L63 PolarHBondContact O-N 2.72Å; V60-L63 VanDerWaalsContact O-N 3.07Å; L63-V65 VanDerWaalsContact C-N 3.26Å; L63-V65 PolarHBondContact O-N 3.26Å; L63-I66 WeakPolarHBondContact O-CB 3.31Å; L63-I66 PolarHBondContact O-N 3.32Å; L63-I66 VanDerWaalsContact O-N 3.07Å; L63-D67 PolarHBondContact O-N 2.79Å; L63-F95 HydrophobicContact CD1-CE2 4.18Å; L63-F95 HydrophobicContact CD1-CZ 4.18Å; L63-L98 HydrophobicContact CB-CD1 4.1Å; L63-L98 HydrophobicContact CB-CD2 4.27Å; L63-L98 HydrophobicContact CD1-CD1 3.99Å; L63-L98 HydrophobicContact CD2-CD1 4.23Å; L63-L98 HydrophobicContact CG-CD1 4.33Å; L63-L109 HydrophobicContact CD2-CD2 3.63Å; L63-M112 HydrophobicContact CD1-CG 4.44Å; L63-M112 HydrophobicContact CD2-CB 3.83Å; L63-M112 HydrophobicContact CD2-CG 3.87Å; L63-M112 HydrophobicContact CG-CG 4.08Å; L63-W116 HydrophobicContact CD1-CH2 3.61Å; L63-W116 HydrophobicContact CD1-CZ2 3.92Å |
| 64 | Y | 96.4 | Very high | 95 | Very high | 86 Ų | 86 | 30 Ų | 30 | 34% | 0.337 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.9 | -29.9 | 175.3 | -64.7 | -6.1 | 0 | 0 | 0 | 112.5 | V60 P61 G62 A68 M112 | V60-Y64 HydrophobicContact CG1-CD1 4.1Å; V60-Y64 HydrophobicContact CG1-CD2 4.49Å; V60-Y64 HydrophobicContact CG1-CE1 3.47Å; V60-Y64 VanDerWaalsContact CG1-CE1 3.47Å; V60-Y64 HydrophobicContact CG1-CE2 3.92Å; V60-Y64 WeakPolarHBondContact O-CD1 3.49Å; V60-Y64 PolarHBondContact O-N 3.36Å; P61-Y64 PolarHBondContact O-N 3.11Å; G62-Y64 VanDerWaalsContact C-N 3.33Å; Y64-A68 VanDerWaalsContact O-CB 3.24Å; Y64-A68 WeakPolarHBondContact O-CB 3.31Å; Y64-A68 PolarHBondContact O-N 3.02Å; Y64-M112 HydrophobicContact CD1-CE 3.45Å; Y64-M112 VanDerWaalsContact CD1-CE 3.45Å; Y64-M112 HydrophobicContact CE1-CE 3.75Å |
| 65 | V | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.7 | -38 | 171.2 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | L11 M26 I29 V47 P61 G62 L63 I69 | L11-V65 HydrophobicContact CD1-CG1 4.39Å; M26-V65 HydrophobicContact CE-CG2 4.09Å; M26-V65 HydrophobicContact SD-CB 4.31Å; M26-V65 HydrophobicContact SD-CG2 3.57Å; M26-V65 VanDerWaalsContact SD-CG2 3.57Å; I29-V65 HydrophobicContact CD1-CG2 4.29Å; I29-V65 HydrophobicContact CG2-CG1 3.81Å; I29-V65 HydrophobicContact CG2-CG2 4.18Å; V47-V65 HydrophobicContact CG1-CG1 4.18Å; V47-V65 HydrophobicContact CG2-CG1 3.91Å; P61-V65 PolarHBondContact O-N 3.46Å; P61-V65 VanDerWaalsContact O-N 3.16Å; G62-V65 WeakPolarHBondContact O-CB 3.43Å; G62-V65 PolarHBondContact O-N 3.47Å; L63-V65 VanDerWaalsContact C-N 3.26Å; L63-V65 PolarHBondContact O-N 3.26Å; V65-I69 HydrophobicContact CG1-CD1 3.66Å; V65-I69 HydrophobicContact CG1-CG1 4.44Å; V65-I69 WeakPolarHBondContact O-CB 3.31Å; V65-I69 WeakPolarHBondContact O-CD1 3.3Å; V65-I69 WeakPolarHBondContact O-CG1 3.18Å; V65-I69 PolarHBondContact O-N 2.84Å; V65-I69 VanDerWaalsContact O-N 3.1Å |
| 66 | I | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -53.7 | 174.3 | -62.3 | -178.1 | 0 | 0 | 0 | 110.2 | V47 I51 G62 L63 A68 I69 V70 F87 V94 W116 | V47-I66 HydrophobicContact CG1-CD1 4.26Å; V47-I66 HydrophobicContact CG1-CG1 3.64Å; I51-I66 HydrophobicContact CD1-CD1 3.52Å; I51-I66 HydrophobicContact CD1-CG1 4.07Å; G62-I66 PolarHBondContact O-N 2.88Å; L63-I66 WeakPolarHBondContact O-CB 3.31Å; L63-I66 PolarHBondContact O-N 3.32Å; L63-I66 VanDerWaalsContact O-N 3.07Å; I66-A68 PolarHBondContact O-N 3.32Å; I66-I69 PolarHBondContact O-N 3.23Å; I66-I69 VanDerWaalsContact O-N 3.15Å; I66-V70 HydrophobicContact CG2-CG2 4.14Å; I66-V70 WeakPolarHBondContact O-CG2 3.47Å; I66-V70 PolarHBondContact O-N 2.88Å; I66-F87 HydrophobicContact CB-CE1 4.47Å; I66-F87 HydrophobicContact CB-CZ 4.5Å; I66-F87 HydrophobicContact CD1-CD1 4.09Å; I66-F87 HydrophobicContact CD1-CE1 4.07Å; I66-F87 HydrophobicContact CG1-CD1 4.14Å; I66-F87 HydrophobicContact CG1-CE1 3.73Å; I66-F87 HydrophobicContact CG1-CZ 4.1Å; I66-F87 HydrophobicContact CG2-CB 4.49Å; I66-F87 HydrophobicContact CG2-CD1 4.08Å; I66-F87 HydrophobicContact CG2-CD2 4.09Å; I66-F87 HydrophobicContact CG2-CE1 4.26Å; I66-F87 HydrophobicContact CG2-CE2 4.25Å; I66-F87 HydrophobicContact CG2-CG 4Å; I66-F87 HydrophobicContact CG2-CZ 4.33Å; I66-V94 HydrophobicContact CD1-CG1 3.95Å; I66-W116 HydrophobicContact CG2-CH2 4.36Å; I66-W116 HydrophobicContact CG2-CZ2 4.35Å |
| 67 | D | 96.9 | Very high | 94.6 | Very high | 26 Ų | 26 | 39.5 Ų | 39.5 | 14% | 0.139 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -53.6 | -50.6 | 179.8 | 178.1 | 79.3 | 0 | 0 | 0 | 111.8 | L63 I69 V70 R71 M112 W116 | L63-D67 PolarHBondContact O-N 2.79Å; D67-I69 VanDerWaalsContact C-N 3.33Å; D67-I69 PolarHBondContact O-N 3.02Å; D67-V70 PolarHBondContact O-N 2.77Å; D67-R71 WeakPolarHBondContact O-CB 3.37Å; D67-R71 WeakPolarHBondContact O-CG 3.26Å; D67-R71 PolarHBondContact O-N 2.93Å; D67-R71 IonicContact OD1-CZ 2.9Å; D67-R71 IonicContact OD1-NE 3.3Å; D67-R71 PolarHBondContact OD1-NE 2.82Å; D67-R71 IonicContact OD1-NH2 2.84Å; D67-R71 PolarHBondContact OD1-NH2 3.02Å; D67-R71 IonicContact OD2-NE 3.02Å; D67-R71 PolarHBondContact OD2-NE 2.81Å; D67-M112 HydrophobicContact CB-CE 3.65Å; D67-M112 HydrophobicContact CB-SD 3.88Å; D67-M112 VanDerWaalsContact OD1-SD 3.37Å; D67-W116 HydrophobicContact CB-CZ2 4.34Å; D67-W116 PolarHBondContact OD1-NE1 2.79Å |
| 68 | A | 97 | Very high | 94.3 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.8 | -31.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M26 T30 Y64 I66 Q72 | M26-A68 HydrophobicContact CG-CB 4.11Å; M26-A68 HydrophobicContact SD-CB 4.41Å; T30-A68 WeakPolarHBondContact CG2-O 3.39Å; T30-A68 WeakPolarHBondContact OG1-CB 3.45Å; Y64-A68 VanDerWaalsContact O-CB 3.24Å; Y64-A68 WeakPolarHBondContact O-CB 3.31Å; Y64-A68 PolarHBondContact O-N 3.02Å; I66-A68 PolarHBondContact O-N 3.32Å; A68-Q72 WeakPolarHBondContact O-CB 3.39Å; A68-Q72 PolarHBondContact O-N 3.04Å |
| 69 | I | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.4 | -47.4 | 175.3 | -69.6 | 170.2 | 0 | 0 | 0 | 110.9 | F7 A33 V47 V65 I66 D67 Q72 S73 Y83 F87 | F7-I69 HydrophobicContact CE2-CD1 4.3Å; F7-I69 HydrophobicContact CZ-CD1 4.39Å; A33-I69 HydrophobicContact CB-CD1 3.58Å; A33-I69 HydrophobicContact CB-CG1 3.7Å; A33-I69 HydrophobicContact CB-CG2 4.33Å; V47-I69 HydrophobicContact CG2-CD1 4.29Å; V65-I69 HydrophobicContact CG1-CD1 3.66Å; V65-I69 HydrophobicContact CG1-CG1 4.44Å; V65-I69 WeakPolarHBondContact O-CB 3.31Å; V65-I69 WeakPolarHBondContact O-CD1 3.3Å; V65-I69 WeakPolarHBondContact O-CG1 3.18Å; V65-I69 PolarHBondContact O-N 2.84Å; V65-I69 VanDerWaalsContact O-N 3.1Å; I66-I69 PolarHBondContact O-N 3.23Å; I66-I69 VanDerWaalsContact O-N 3.15Å; D67-I69 VanDerWaalsContact C-N 3.33Å; D67-I69 PolarHBondContact O-N 3.02Å; I69-Q72 PolarHBondContact O-N 2.76Å; I69-S73 VanDerWaalsContact O-CB 3.25Å; I69-S73 WeakPolarHBondContact O-CB 3.34Å; I69-S73 PolarHBondContact O-N 2.95Å; I69-Y83 HydrophobicContact CG2-CD1 3.43Å; I69-Y83 VanDerWaalsContact CG2-CD1 3.43Å; I69-Y83 HydrophobicContact CG2-CD2 4.27Å; I69-Y83 HydrophobicContact CG2-CE1 3.79Å; I69-Y83 HydrophobicContact CG2-CG 3.7Å; I69-F87 HydrophobicContact CB-CE2 4.36Å; I69-F87 HydrophobicContact CG2-CE2 3.97Å |
| 70 | V | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64 | -51.3 | -177.8 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | I66 D67 Q72 S73 Q74 F87 V121 F122 | I66-V70 HydrophobicContact CG2-CG2 4.14Å; I66-V70 WeakPolarHBondContact O-CG2 3.47Å; I66-V70 PolarHBondContact O-N 2.88Å; D67-V70 PolarHBondContact O-N 2.77Å; V70-Q72 VanDerWaalsContact C-N 3.34Å; V70-Q72 PolarHBondContact O-N 3.1Å; V70-S73 WeakPolarHBondContact O-CB 3.43Å; V70-S73 PolarHBondContact O-N 3.13Å; V70-S73 VanDerWaalsContact O-N 3.12Å; V70-Q74 HydrophobicContact CG1-CG 4.26Å; V70-Q74 WeakPolarHBondContact O-CG 3.23Å; V70-Q74 PolarHBondContact O-N 3.03Å; V70-F87 HydrophobicContact CG2-CD2 3.52Å; V70-F87 HydrophobicContact CG2-CE2 3.96Å; V70-F87 HydrophobicContact CG2-CG 4.45Å; V70-V121 HydrophobicContact CG1-CG1 3.65Å; V70-F122 HydrophobicContact CG1-CZ 4.43Å; V70-F122 HydrophobicContact CG2-CZ 4.39Å |
| 71 | R | 95.1 | Very high | 93.1 | Very high | 79 Ų | 79 | 58 Ų | 58 | 30% | 0.298 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 178.5 | -68.6 | -177.6 | -174.8 | -79.1 | -0.6 | 112.5 | D67 S73 Y75 L115 S119 V121 | D67-R71 WeakPolarHBondContact O-CB 3.37Å; D67-R71 WeakPolarHBondContact O-CG 3.26Å; D67-R71 PolarHBondContact O-N 2.93Å; D67-R71 IonicContact OD1-CZ 2.9Å; D67-R71 IonicContact OD1-NE 3.3Å; D67-R71 PolarHBondContact OD1-NE 2.82Å; D67-R71 IonicContact OD1-NH2 2.84Å; D67-R71 PolarHBondContact OD1-NH2 3.02Å; D67-R71 IonicContact OD2-NE 3.02Å; D67-R71 PolarHBondContact OD2-NE 2.81Å; R71-S73 VanDerWaalsContact C-N 3.29Å; R71-S73 PolarHBondContact O-N 2.99Å; R71-Y75 VanDerWaalsContact O-CB 3.31Å; R71-Y75 WeakPolarHBondContact O-CB 3.41Å; R71-Y75 PolarHBondContact O-N 3.02Å; R71-L115 PolarHBondContact NH2-O 2.81Å; R71-S119 PolarHBondContact NH1-OG 3.18Å; R71-S119 PolarHBondContact NH2-OG 3.03Å; R71-V121 HydrophobicContact CG-CG2 4.42Å |
| 72 | Q | 94.7 | Very high | 93.1 | Very high | 68 Ų | 68 | 59.6 Ų | 59.6 | 32% | 0.318 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68 | -31.9 | 179.3 | -170.8 | 66.8 | 92.6 | 0 | 0 | 112.2 | T30 I34 A68 I69 V70 F76 | T30-Q72 HydrophobicContact CG2-CB 3.63Å; T30-Q72 HydrophobicContact CG2-CG 3.79Å; I34-Q72 HydrophobicContact CD1-CB 4.38Å; I34-Q72 HydrophobicContact CD1-CG 4.21Å; I34-Q72 HydrophobicContact CG1-CB 4.44Å; I34-Q72 HydrophobicContact CG1-CG 3.9Å; A68-Q72 WeakPolarHBondContact O-CB 3.39Å; A68-Q72 PolarHBondContact O-N 3.04Å; I69-Q72 PolarHBondContact O-N 2.76Å; V70-Q72 VanDerWaalsContact C-N 3.34Å; V70-Q72 PolarHBondContact O-N 3.1Å; Q72-F76 HydrophobicContact CG-CD2 3.92Å; Q72-F76 HydrophobicContact CG-CE2 3.85Å; Q72-F76 VanDerWaalsContact NE2-CE2 3.26Å; Q72-F76 VanDerWaalsContact O-CD2 3.24Å; Q72-F76 WeakPolarHBondContact O-CD2 3.36Å; Q72-F76 PolarHBondContact O-N 3.34Å; Q72-F76 VanDerWaalsContact O-N 3.16Å |
| 73 | S | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.5 | -47.1 | 176.1 | -169.7 | 0 | 0 | 0 | 0 | 112.1 | I69 V70 R71 Y75 F76 Y77 D81 Y83 | I69-S73 VanDerWaalsContact O-CB 3.25Å; I69-S73 WeakPolarHBondContact O-CB 3.34Å; I69-S73 PolarHBondContact O-N 2.95Å; V70-S73 WeakPolarHBondContact O-CB 3.43Å; V70-S73 PolarHBondContact O-N 3.13Å; V70-S73 VanDerWaalsContact O-N 3.12Å; R71-S73 VanDerWaalsContact C-N 3.29Å; R71-S73 PolarHBondContact O-N 2.99Å; S73-Y75 VanDerWaalsContact C-N 3.29Å; S73-Y75 PolarHBondContact O-N 3.49Å; S73-F76 PolarHBondContact O-N 2.85Å; S73-Y77 WeakPolarHBondContact O-CB 3.4Å; S73-Y77 VanDerWaalsContact O-CD2 3.31Å; S73-Y77 WeakPolarHBondContact O-CD2 3.36Å; S73-Y77 PolarHBondContact O-N 3.41Å; S73-Y77 WeakPolarHBondContact OG-CD2 3.41Å; S73-D81 WeakPolarHBondContact CB-OD1 3.33Å; S73-D81 PolarHBondContact OG-OD1 3.15Å; S73-Y83 WeakPolarHBondContact OG-CD2 3.23Å |
| 74 | Q | 92.9 | Very high | 93.1 | Very high | 55 Ų | 55 | 59.8 Ų | 59.8 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.9 | -41.6 | 173.6 | -72.7 | 173.6 | -22.4 | 0 | 0 | 111.3 | V70 R78 D81 V121 | V70-Q74 HydrophobicContact CG1-CG 4.26Å; V70-Q74 WeakPolarHBondContact O-CG 3.23Å; V70-Q74 PolarHBondContact O-N 3.03Å; Q74-R78 VanDerWaalsContact O-CA 3.25Å; Q74-R78 WeakPolarHBondContact O-CA 3.27Å; Q74-R78 PolarHBondContact O-N 3.06Å; Q74-D81 HydrophobicContact CG-CB 4.3Å; Q74-V121 PolarHBondContact NE2-O 2.95Å |
| 75 | Y | 92.3 | Very high | 93 | Very high | 150 Ų | 150 | 58.6 Ų | 58.6 | 59% | 0.588 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.5 | -47 | 173.8 | -178 | -91.4 | 0 | 0 | 0 | 113.1 | R71 S73 | R71-Y75 VanDerWaalsContact O-CB 3.31Å; R71-Y75 WeakPolarHBondContact O-CB 3.41Å; R71-Y75 PolarHBondContact O-N 3.02Å; S73-Y75 VanDerWaalsContact C-N 3.29Å; S73-Y75 PolarHBondContact O-N 3.49Å |
| 76 | F | 88 | Confident | 92.9 | Very high | 119 Ų | 119 | 62 Ų | 62 | 52% | 0.522 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -79 | -27.6 | -177.1 | -83.6 | -54.1 | 0 | 0 | 0 | 114.9 | I34 Q72 S73 | I34-F76 HydrophobicContact CG2-CD2 4.22Å; I34-F76 HydrophobicContact CG2-CE2 4.49Å; Q72-F76 HydrophobicContact CG-CD2 3.92Å; Q72-F76 HydrophobicContact CG-CE2 3.85Å; Q72-F76 VanDerWaalsContact NE2-CE2 3.26Å; Q72-F76 VanDerWaalsContact O-CD2 3.24Å; Q72-F76 WeakPolarHBondContact O-CD2 3.36Å; Q72-F76 PolarHBondContact O-N 3.34Å; Q72-F76 VanDerWaalsContact O-N 3.16Å; S73-F76 PolarHBondContact O-N 2.85Å |
| 77 | Y | 89.3 | Confident | 92.8 | Very high | 74 Ų | 74 | 62.1 Ų | 62.1 | 29% | 0.29 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -123.2 | -12.2 | -168.4 | -55.2 | -60.4 | 0 | 0 | 0 | 114.4 | I34 L37 S73 E79 K80 | I34-Y77 HydrophobicContact CD1-CE2 4.5Å; L37-Y77 HydrophobicContact CD1-CD2 4.47Å; L37-Y77 HydrophobicContact CD1-CE2 3.89Å; L37-Y77 HydrophobicContact CD2-CE1 4.13Å; L37-Y77 HydrophobicContact CD2-CE2 4.24Å; S73-Y77 WeakPolarHBondContact O-CB 3.4Å; S73-Y77 VanDerWaalsContact O-CD2 3.31Å; S73-Y77 WeakPolarHBondContact O-CD2 3.36Å; S73-Y77 PolarHBondContact O-N 3.41Å; S73-Y77 WeakPolarHBondContact OG-CD2 3.41Å; Y77-E79 PolarHBondContact O-N 3.24Å; Y77-K80 WeakPolarHBondContact O-CA 3.48Å; Y77-K80 WeakPolarHBondContact O-CB 3.31Å; Y77-K80 PolarHBondContact O-N 3.14Å |
| 78 | R | 85.7 | Confident | 92.7 | Very high | 174 Ų | 174 | 61.2 Ų | 61.2 | 66% | 0.657 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | 46.5 | -119.7 | -176 | -56.4 | -176.8 | -174.9 | -179.8 | 1.8 | 110.1 | Q74 K80 D81 D693 | Q74-R78 VanDerWaalsContact O-CA 3.25Å; Q74-R78 WeakPolarHBondContact O-CA 3.27Å; Q74-R78 PolarHBondContact O-N 3.06Å; R78-K80 PolarHBondContact O-N 3.36Å; R78-D81 WeakPolarHBondContact O-CB 3.32Å; R78-D81 PolarHBondContact O-N 3.23Å; R78-D81 VanDerWaalsContact O-N 3.09Å; R78-D693 IonicContact NH2-OD2 3.25Å; R78-D693 PolarHBondContact NH2-OD2 3.3Å |
| 79 | E | 79.1 | Confident | 92.5 | Very high | 163 Ų | 163 | 67.2 Ų | 67.2 | 76% | 0.762 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -67 | -3.7 | 179.3 | -54.6 | -175.6 | 163.6 | 0 | 0 | 115.9 | Y77 K161 | Y77-E79 PolarHBondContact O-N 3.24Å; E79-K161 PolarHBondContact O-NZ 2.99Å |
| 80 | K | 86.1 | Confident | 92.3 | Very high | 171 Ų | 171 | 69.8 Ų | 69.8 | 74% | 0.743 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -101.6 | 11.3 | 175.3 | -57.9 | 175.7 | -176.8 | 174 | 0 | 111.8 | Y77 R78 V82 | Y77-K80 WeakPolarHBondContact O-CA 3.48Å; Y77-K80 WeakPolarHBondContact O-CB 3.31Å; Y77-K80 PolarHBondContact O-N 3.14Å; R78-K80 PolarHBondContact O-N 3.36Å; K80-V82 PolarHBondContact O-N 3.08Å |
| 81 | D | 91.9 | Very high | 92.2 | Very high | 19 Ų | 19 | 69.8 Ų | 69.8 | 10% | 0.102 | 31% | 0.305 | C | S | . | . | trans | -58.6 | 128.5 | 171.2 | 177.4 | 34.1 | 0 | 0 | 0 | 111.9 | S73 Q74 R78 Y83 G84 | S73-D81 WeakPolarHBondContact CB-OD1 3.33Å; S73-D81 PolarHBondContact OG-OD1 3.15Å; Q74-D81 HydrophobicContact CG-CB 4.3Å; R78-D81 WeakPolarHBondContact O-CB 3.32Å; R78-D81 PolarHBondContact O-N 3.23Å; R78-D81 VanDerWaalsContact O-N 3.09Å; D81-Y83 PolarHBondContact OD1-N 3.4Å; D81-G84 VanDerWaalsContact OD2-CA 3.31Å; D81-G84 WeakPolarHBondContact OD2-CA 3.48Å; D81-G84 PolarHBondContact OD2-N 3.16Å | ||
| 82 | V | 94.6 | Very high | 92.1 | Very high | 46 Ų | 46 | 66.2 Ų | 66.2 | 28% | 0.279 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -107.2 | -8.5 | 176 | -59 | 0 | 0 | 0 | 0 | 113.1 | L37 Y40 K80 R86 | L37-V82 HydrophobicContact CD1-CG2 3.5Å; Y40-V82 HydrophobicContact CD1-CB 4.43Å; Y40-V82 HydrophobicContact CD1-CG2 4.07Å; Y40-V82 HydrophobicContact CD2-CB 3.77Å; Y40-V82 HydrophobicContact CD2-CG2 3.7Å; Y40-V82 WeakPolarHBondContact CD2-O 3.47Å; Y40-V82 HydrophobicContact CE1-CB 4.49Å; Y40-V82 HydrophobicContact CE2-CB 3.82Å; Y40-V82 HydrophobicContact CE2-CG2 4.25Å; Y40-V82 VanDerWaalsContact CE2-O 3.29Å; Y40-V82 WeakPolarHBondContact CE2-O 3.32Å; Y40-V82 HydrophobicContact CG-CB 4.08Å; Y40-V82 HydrophobicContact CG-CG2 3.59Å; K80-V82 PolarHBondContact O-N 3.08Å; V82-R86 WeakPolarHBondContact O-CB 3.32Å |
| 83 | Y | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -89.2 | -50 | -176.1 | -78.7 | -82.4 | 0 | 0 | 0 | 112.3 | A33 L37 V43 V44 I69 S73 D81 R86 F87 | A33-Y83 PolarHBondContact O-OH 3.22Å; L37-Y83 HydrophobicContact CD1-CD2 4.32Å; L37-Y83 HydrophobicContact CD1-CE2 3.74Å; V43-Y83 HydrophobicContact CB-CE1 4.02Å; V43-Y83 HydrophobicContact CG1-CE1 3.77Å; V44-Y83 HydrophobicContact CG2-CD1 3.69Å; V44-Y83 HydrophobicContact CG2-CE1 4.08Å; I69-Y83 HydrophobicContact CG2-CD1 3.43Å; I69-Y83 VanDerWaalsContact CG2-CD1 3.43Å; I69-Y83 HydrophobicContact CG2-CD2 4.27Å; I69-Y83 HydrophobicContact CG2-CE1 3.79Å; I69-Y83 HydrophobicContact CG2-CG 3.7Å; S73-Y83 WeakPolarHBondContact OG-CD2 3.23Å; D81-Y83 PolarHBondContact OD1-N 3.4Å; Y83-R86 PolarHBondContact O-N 2.73Å; Y83-F87 AromaticContact CD1-CE2 3.97Å; Y83-F87 HydrophobicContact CD1-CE2 3.97Å; Y83-F87 VanDerWaalsContact O-CD2 3.31Å; Y83-F87 WeakPolarHBondContact O-CD2 3.46Å; Y83-F87 PolarHBondContact O-N 2.72Å |
| 84 | G | 94.6 | Very high | 92 | Very high | 3 Ų | 3 | 66.7 Ų | 66.7 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.5 | -60.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D81 R86 F87 L88 | D81-G84 VanDerWaalsContact OD2-CA 3.31Å; D81-G84 WeakPolarHBondContact OD2-CA 3.48Å; D81-G84 PolarHBondContact OD2-N 3.16Å; G84-R86 PolarHBondContact O-N 3.36Å; G84-F87 PolarHBondContact O-N 3.19Å; G84-L88 VanDerWaalsContact O-CB 3.32Å; G84-L88 WeakPolarHBondContact O-CB 3.35Å; G84-L88 PolarHBondContact O-N 2.84Å |
| 85 | P | 93.9 | Very high | 92.1 | Very high | 62 Ų | 62 | 64 Ų | 64 | 40% | 0.403 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.4 | -14.7 | 177.2 | -24.4 | 34.8 | 0 | 0 | 0 | 114.9 | ||
| 86 | R | 95.1 | Very high | 92.1 | Very high | 70 Ų | 70 | 59.3 Ų | 59.3 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -92.6 | -38.1 | 178 | -177.6 | 60.7 | -165 | -178.5 | 7.6 | 113 | Y40 V44 V82 Y83 G84 | Y40-R86 HydrophobicContact CD2-CB 4.12Å; Y40-R86 HydrophobicContact CD2-CG 4.01Å; Y40-R86 HydrophobicContact CE2-CB 3.97Å; Y40-R86 HydrophobicContact CE2-CG 3.93Å; V44-R86 HydrophobicContact CB-CG 4.06Å; V44-R86 HydrophobicContact CG1-CG 4.02Å; V44-R86 HydrophobicContact CG2-CB 4.34Å; V44-R86 HydrophobicContact CG2-CG 3.85Å; V82-R86 WeakPolarHBondContact O-CB 3.32Å; Y83-R86 PolarHBondContact O-N 2.73Å; G84-R86 PolarHBondContact O-N 3.36Å |
| 87 | F | 96.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68 | -40 | 169.8 | -79.5 | -66.5 | 0 | 0 | 0 | 111.3 | V44 V47 I66 I69 V70 Y83 G84 R89 N90 L91 | V44-F87 HydrophobicContact CB-CD1 4.41Å; V44-F87 HydrophobicContact CB-CE1 4.14Å; V44-F87 HydrophobicContact CB-CZ 4.38Å; V44-F87 HydrophobicContact CG1-CD1 3.62Å; V44-F87 HydrophobicContact CG1-CE1 3.75Å; V44-F87 HydrophobicContact CG1-CG 4.18Å; V44-F87 HydrophobicContact CG1-CZ 4.43Å; V44-F87 HydrophobicContact CG2-CD1 4.24Å; V44-F87 HydrophobicContact CG2-CD2 4.08Å; V44-F87 HydrophobicContact CG2-CE1 4Å; V44-F87 HydrophobicContact CG2-CE2 3.86Å; V44-F87 HydrophobicContact CG2-CG 4.28Å; V44-F87 HydrophobicContact CG2-CZ 3.81Å; V47-F87 HydrophobicContact CB-CE1 4.12Å; V47-F87 HydrophobicContact CB-CZ 4.4Å; V47-F87 HydrophobicContact CG1-CE1 4.12Å; V47-F87 HydrophobicContact CG1-CZ 4.44Å; I66-F87 HydrophobicContact CB-CE1 4.47Å; I66-F87 HydrophobicContact CB-CZ 4.5Å; I66-F87 HydrophobicContact CD1-CD1 4.09Å; I66-F87 HydrophobicContact CD1-CE1 4.07Å; I66-F87 HydrophobicContact CG1-CD1 4.14Å; I66-F87 HydrophobicContact CG1-CE1 3.73Å; I66-F87 HydrophobicContact CG1-CZ 4.1Å; I66-F87 HydrophobicContact CG2-CB 4.49Å; I66-F87 HydrophobicContact CG2-CD1 4.08Å; I66-F87 HydrophobicContact CG2-CD2 4.09Å; I66-F87 HydrophobicContact CG2-CE1 4.26Å; I66-F87 HydrophobicContact CG2-CE2 4.25Å; I66-F87 HydrophobicContact CG2-CG 4Å; I66-F87 HydrophobicContact CG2-CZ 4.33Å; I69-F87 HydrophobicContact CB-CE2 4.36Å; I69-F87 HydrophobicContact CG2-CE2 3.97Å; V70-F87 HydrophobicContact CG2-CD2 3.52Å; V70-F87 HydrophobicContact CG2-CE2 3.96Å; V70-F87 HydrophobicContact CG2-CG 4.45Å; Y83-F87 AromaticContact CD1-CE2 3.97Å; Y83-F87 HydrophobicContact CD1-CE2 3.97Å; Y83-F87 VanDerWaalsContact O-CD2 3.31Å; Y83-F87 WeakPolarHBondContact O-CD2 3.46Å; Y83-F87 PolarHBondContact O-N 2.72Å; G84-F87 PolarHBondContact O-N 3.19Å; F87-R89 VanDerWaalsContact C-N 3.26Å; F87-R89 PolarHBondContact O-N 2.92Å; F87-N90 CarbonylContact O-C 3.19Å; F87-N90 PolarHBondContact O-N 3.48Å; F87-L91 PolarHBondContact O-N 3.44Å |
| 88 | L | 94 | Very high | 92.5 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -48.7 | -45.2 | 179.8 | 179.6 | 54.2 | 0 | 0 | 0 | 112.6 | G84 N90 L91 F122 V126 I150 L154 | G84-L88 VanDerWaalsContact O-CB 3.32Å; G84-L88 WeakPolarHBondContact O-CB 3.35Å; G84-L88 PolarHBondContact O-N 2.84Å; L88-N90 PolarHBondContact O-N 2.92Å; L88-L91 HydrophobicContact CD1-CD2 4.4Å; L88-L91 WeakPolarHBondContact O-CB 3.5Å; L88-L91 PolarHBondContact O-N 3.44Å; L88-L91 VanDerWaalsContact O-N 3.16Å; L88-F122 HydrophobicContact CB-CD1 4.46Å; L88-F122 HydrophobicContact CB-CE1 4.15Å; L88-F122 HydrophobicContact CD1-CD1 4.28Å; L88-V126 HydrophobicContact CD1-CB 4.46Å; L88-V126 HydrophobicContact CD1-CG1 3.62Å; L88-V126 HydrophobicContact CD1-CG2 4.07Å; L88-I150 HydrophobicContact CD1-CD1 4.28Å; L88-I150 HydrophobicContact CD1-CG1 3.92Å; L88-I150 HydrophobicContact CD1-CG2 4.19Å; L88-I150 HydrophobicContact CG-CG2 4.21Å; L88-I150 WeakPolarHBondContact O-CG2 3.47Å; L88-L154 HydrophobicContact CB-CD2 4.4Å; L88-L154 HydrophobicContact CD2-CD2 3.79Å; L88-L154 HydrophobicContact CD2-CG 3.98Å; L88-L154 HydrophobicContact CG-CD2 4.1Å; L88-L154 HydrophobicContact CG-CG 4.17Å |
| 89 | R | 93.5 | Very high | 92.7 | Very high | 148 Ų | 148 | 44.8 Ų | 44.8 | 56% | 0.558 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -26 | 178.9 | -74.5 | 175.4 | -174.8 | -127 | -2.4 | 115.5 | F87 L154 | F87-R89 VanDerWaalsContact C-N 3.26Å; F87-R89 PolarHBondContact O-N 2.92Å; R89-L154 HydrophobicContact CB-CD1 4.37Å; R89-L154 HydrophobicContact CG-CD1 3.43Å; R89-L154 VanDerWaalsContact CG-CD1 3.43Å; R89-L154 HydrophobicContact CG-CD2 4.03Å; R89-L154 HydrophobicContact CG-CG 4.41Å |
| 90 | N | 92.8 | Very high | 93.2 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 29% | 0.289 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 16.6 | -176.2 | -72.4 | -31.4 | 0 | 0 | 0 | 112.2 | E48 F87 L88 V92 P93 V94 | E48-N90 VanDerWaalsContact CD-ND2 3.29Å; E48-N90 VanDerWaalsContact OE1-CB 3.3Å; E48-N90 WeakPolarHBondContact OE1-CB 3.41Å; E48-N90 PolarHBondContact OE1-ND2 3.08Å; E48-N90 PolarHBondContact OE2-ND2 3.12Å; F87-N90 CarbonylContact O-C 3.19Å; F87-N90 PolarHBondContact O-N 3.48Å; L88-N90 PolarHBondContact O-N 2.92Å; N90-V92 PolarHBondContact O-N 3.24Å; N90-P93 VanDerWaalsContact O-CD 3.25Å; N90-P93 WeakPolarHBondContact O-CD 3.49Å; N90-P93 VanDerWaalsContact O-CG 3.3Å; N90-P93 WeakPolarHBondContact O-CG 3.45Å; N90-V94 WeakPolarHBondContact O-CG2 3.44Å; N90-V94 PolarHBondContact O-N 3.31Å |
| 91 | L | 94 | Very high | 93.4 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.1 | -37.8 | -168.6 | -160 | 51.9 | 0 | 0 | 0 | 112.5 | F87 L88 V94 F95 W116 F122 L130 I150 | F87-L91 PolarHBondContact O-N 3.44Å; L88-L91 HydrophobicContact CD1-CD2 4.4Å; L88-L91 WeakPolarHBondContact O-CB 3.5Å; L88-L91 PolarHBondContact O-N 3.44Å; L88-L91 VanDerWaalsContact O-N 3.16Å; L91-V94 WeakPolarHBondContact O-CB 3.4Å; L91-V94 PolarHBondContact O-N 3Å; L91-F95 HydrophobicContact CD1-CD2 4.01Å; L91-F95 HydrophobicContact CD1-CE2 3.77Å; L91-F95 HydrophobicContact CG-CD2 4.14Å; L91-F95 HydrophobicContact CG-CE2 4.11Å; L91-F95 WeakPolarHBondContact O-CD2 3.43Å; L91-F95 PolarHBondContact O-N 2.94Å; L91-W116 HydrophobicContact CD1-CH2 4.37Å; L91-W116 HydrophobicContact CD1-CZ3 4.31Å; L91-W116 HydrophobicContact CD2-CZ3 4.25Å; L91-F122 HydrophobicContact CD2-CD2 4.24Å; L91-F122 HydrophobicContact CD2-CE1 4.43Å; L91-F122 HydrophobicContact CD2-CE2 4.03Å; L91-F122 HydrophobicContact CD2-CZ 4.13Å; L91-L130 HydrophobicContact CD2-CD1 3.61Å; L91-L130 HydrophobicContact CG-CD1 3.8Å; L91-L130 HydrophobicContact CG-CD2 4.3Å; L91-I150 HydrophobicContact CB-CD1 4.22Å |
| 92 | V | 93.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.8 | -56.1 | 174.3 | 167.2 | 0 | 0 | 0 | 0 | 113.4 | N90 V94 F95 V96 L130 V143 A146 K147 I150 | N90-V92 PolarHBondContact O-N 3.24Å; V92-V94 PolarHBondContact O-N 2.86Å; V92-F95 PolarHBondContact O-N 3Å; V92-V96 WeakPolarHBondContact O-CG2 3.27Å; V92-V96 PolarHBondContact O-N 2.82Å; V92-L130 HydrophobicContact CG2-CD2 4.07Å; V92-V143 HydrophobicContact CG1-CG1 3.93Å; V92-A146 HydrophobicContact CG2-CB 3.53Å; V92-K147 HydrophobicContact CB-CG 4.45Å; V92-K147 HydrophobicContact CG1-CG 4.32Å; V92-I150 HydrophobicContact CG2-CD1 3.72Å |
| 93 | P | 93.3 | Very high | 93 | Very high | 68 Ų | 68 | 40.5 Ų | 40.5 | 44% | 0.442 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.3 | -23.8 | 178.1 | 22.8 | -32.2 | 0 | 0 | 0 | 113.5 | N90 S97 | N90-P93 VanDerWaalsContact O-CD 3.25Å; N90-P93 WeakPolarHBondContact O-CD 3.49Å; N90-P93 VanDerWaalsContact O-CG 3.3Å; N90-P93 WeakPolarHBondContact O-CG 3.45Å; P93-S97 WeakPolarHBondContact O-CB 3.24Å; P93-S97 PolarHBondContact O-N 3.18Å; P93-S97 PolarHBondContact O-OG 3.03Å |
| 94 | V | 95.1 | Very high | 92.6 | Very high | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.7 | -47.4 | 168 | 168.4 | 0 | 0 | 0 | 0 | 110.7 | E48 I51 I66 N90 L91 V92 S97 L98 | E48-V94 HydrophobicContact CG-CG2 4.2Å; I51-V94 HydrophobicContact CD1-CG1 3.93Å; I51-V94 HydrophobicContact CG2-CG1 4.27Å; I66-V94 HydrophobicContact CD1-CG1 3.95Å; N90-V94 WeakPolarHBondContact O-CG2 3.44Å; N90-V94 PolarHBondContact O-N 3.31Å; L91-V94 WeakPolarHBondContact O-CB 3.4Å; L91-V94 PolarHBondContact O-N 3Å; V92-V94 PolarHBondContact O-N 2.86Å; V94-S97 CarbonylContact O-C 3.55Å; V94-S97 WeakPolarHBondContact O-CA 3.32Å; V94-S97 WeakPolarHBondContact O-CB 3.49Å; V94-S97 PolarHBondContact O-N 3.42Å; V94-L98 HydrophobicContact CG1-CD1 3.95Å; V94-L98 HydrophobicContact CG1-CG 4.37Å; V94-L98 VanDerWaalsContact O-CG 3.31Å; V94-L98 WeakPolarHBondContact O-CG 3.44Å; V94-L98 PolarHBondContact O-N 3.12Å |
| 95 | F | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.2 | -40 | 178.6 | -90.2 | -109.4 | 0 | 0 | 0 | 113.2 | L63 L91 V92 S97 L98 M99 L113 W116 L130 V133 L134 | L63-F95 HydrophobicContact CD1-CE2 4.18Å; L63-F95 HydrophobicContact CD1-CZ 4.18Å; L91-F95 HydrophobicContact CD1-CD2 4.01Å; L91-F95 HydrophobicContact CD1-CE2 3.77Å; L91-F95 HydrophobicContact CG-CD2 4.14Å; L91-F95 HydrophobicContact CG-CE2 4.11Å; L91-F95 WeakPolarHBondContact O-CD2 3.43Å; L91-F95 PolarHBondContact O-N 2.94Å; V92-F95 PolarHBondContact O-N 3Å; F95-S97 VanDerWaalsContact C-N 3.26Å; F95-S97 PolarHBondContact O-N 3.47Å; F95-L98 HydrophobicContact CD2-CD1 4.24Å; F95-L98 HydrophobicContact CE2-CD1 4.34Å; F95-L98 HydrophobicContact CG-CD1 4.47Å; F95-L98 WeakPolarHBondContact O-CB 3.26Å; F95-L98 PolarHBondContact O-N 3.11Å; F95-M99 PolarHBondContact O-N 3.01Å; F95-M99 VanDerWaalsContact O-N 3.13Å; F95-L113 HydrophobicContact CE1-CD1 3.89Å; F95-L113 HydrophobicContact CE1-CD2 3.63Å; F95-L113 HydrophobicContact CE1-CG 3.79Å; F95-L113 HydrophobicContact CZ-CD2 3.55Å; F95-L113 HydrophobicContact CZ-CG 4.14Å; F95-W116 HydrophobicContact CE2-CH2 4.13Å; F95-W116 AromaticContact CE2-CZ3 3.83Å; F95-W116 HydrophobicContact CE2-CZ3 3.83Å; F95-W116 HydrophobicContact CZ-CH2 4.23Å; F95-W116 AromaticContact CZ-CZ3 3.78Å; F95-W116 HydrophobicContact CZ-CZ3 3.78Å; F95-L130 HydrophobicContact CB-CD2 4.11Å; F95-L130 HydrophobicContact CD1-CB 4.42Å; F95-L130 HydrophobicContact CD1-CD2 4.38Å; F95-L130 HydrophobicContact CD2-CD2 4.03Å; F95-L130 HydrophobicContact CE2-CD1 4.36Å; F95-L130 HydrophobicContact CG-CD2 3.9Å; F95-V133 HydrophobicContact CB-CG1 4.48Å; F95-L134 HydrophobicContact CD1-CD1 4.23Å; F95-L134 HydrophobicContact CD1-CD2 3.81Å; F95-L134 HydrophobicContact CD1-CG 3.95Å; F95-L134 HydrophobicContact CE1-CD1 4.17Å; F95-L134 HydrophobicContact CE1-CD2 4.41Å; F95-L134 HydrophobicContact CE1-CG 4.39Å |
| 96 | V | 92.7 | Very high | 92.2 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.6 | -39 | 169.1 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | V92 L98 M99 V133 V143 | V92-V96 WeakPolarHBondContact O-CG2 3.27Å; V92-V96 PolarHBondContact O-N 2.82Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 2.66Å; V96-M99 PolarHBondContact O-N 3.02Å; V96-V133 HydrophobicContact CG2-CG1 3.83Å; V96-V143 HydrophobicContact CG2-CG2 4.33Å |
| 97 | S | 92.1 | Very high | 92.1 | Very high | 33 Ų | 33 | 50.2 Ų | 50.2 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.2 | -22.9 | 175.8 | -60.2 | 0 | 0 | 0 | 0 | 114.1 | K59 P93 V94 F95 | K59-S97 WeakPolarHBondContact CD-O 3.37Å; K59-S97 WeakPolarHBondContact CE-O 3.34Å; K59-S97 PolarHBondContact NZ-O 2.93Å; P93-S97 WeakPolarHBondContact O-CB 3.24Å; P93-S97 PolarHBondContact O-N 3.18Å; P93-S97 PolarHBondContact O-OG 3.03Å; V94-S97 CarbonylContact O-C 3.55Å; V94-S97 WeakPolarHBondContact O-CA 3.32Å; V94-S97 WeakPolarHBondContact O-CB 3.49Å; V94-S97 PolarHBondContact O-N 3.42Å; F95-S97 VanDerWaalsContact C-N 3.26Å; F95-S97 PolarHBondContact O-N 3.47Å |
| 98 | L | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -83 | -22.6 | 177.3 | -72.2 | 169.7 | 0 | 0 | 0 | 113 | I51 K59 L63 V94 F95 V96 N100 C101 L109 | I51-L98 HydrophobicContact CG2-CD2 3.58Å; I51-L98 HydrophobicContact CG2-CG 3.87Å; K59-L98 HydrophobicContact CB-CD2 3.88Å; K59-L98 HydrophobicContact CD-CD2 4.48Å; K59-L98 WeakPolarHBondContact O-CD2 3.38Å; L63-L98 HydrophobicContact CB-CD1 4.1Å; L63-L98 HydrophobicContact CB-CD2 4.27Å; L63-L98 HydrophobicContact CD1-CD1 3.99Å; L63-L98 HydrophobicContact CD2-CD1 4.23Å; L63-L98 HydrophobicContact CG-CD1 4.33Å; V94-L98 HydrophobicContact CG1-CD1 3.95Å; V94-L98 HydrophobicContact CG1-CG 4.37Å; V94-L98 VanDerWaalsContact O-CG 3.31Å; V94-L98 WeakPolarHBondContact O-CG 3.44Å; V94-L98 PolarHBondContact O-N 3.12Å; F95-L98 HydrophobicContact CD2-CD1 4.24Å; F95-L98 HydrophobicContact CE2-CD1 4.34Å; F95-L98 HydrophobicContact CG-CD1 4.47Å; F95-L98 WeakPolarHBondContact O-CB 3.26Å; F95-L98 PolarHBondContact O-N 3.11Å; V96-L98 VanDerWaalsContact C-N 3.32Å; V96-L98 PolarHBondContact O-N 2.66Å; L98-N100 PolarHBondContact O-N 3.35Å; L98-C101 VanDerWaalsContact O-CB 3.27Å; L98-C101 WeakPolarHBondContact O-CB 3.34Å; L98-C101 PolarHBondContact O-N 3.45Å; L98-C101 VanDerWaalsContact O-N 3.08Å; L98-C101 PolarHBondContact O-SG 3.15Å; L98-L109 HydrophobicContact CB-CD1 4.31Å; L98-L109 HydrophobicContact CB-CD2 4.16Å; L98-L109 HydrophobicContact CD1-CD2 4.31Å |
| 99 | M | 89 | Confident | 91.9 | Very high | 28 Ų | 28 | 53 Ų | 53 | 14% | 0.138 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.4 | 175.1 | -72.1 | -88.7 | 71.1 | 0 | 0 | 113.3 | F95 V96 C101 R106 L109 L134 P137 | F95-M99 PolarHBondContact O-N 3.01Å; F95-M99 VanDerWaalsContact O-N 3.13Å; V96-M99 PolarHBondContact O-N 3.02Å; M99-C101 PolarHBondContact O-N 3.45Å; M99-C101 VanDerWaalsContact O-N 3.12Å; M99-R106 HydrophobicContact CE-CG 4.36Å; M99-L109 HydrophobicContact CE-CD1 3.77Å; M99-L134 HydrophobicContact CE-CD2 3.64Å; M99-L134 HydrophobicContact CG-CD2 4.16Å; M99-L134 HydrophobicContact SD-CB 4.46Å; M99-L134 HydrophobicContact SD-CD2 3.8Å; M99-P137 HydrophobicContact CB-CB 4.45Å; M99-P137 HydrophobicContact CB-CG 4.38Å; M99-P137 HydrophobicContact CG-CB 3.92Å; M99-P137 HydrophobicContact CG-CG 3.96Å; M99-P137 HydrophobicContact SD-CB 4.32Å; M99-P137 HydrophobicContact SD-CG 3.82Å |
| 100 | N | 89.8 | Confident | 91.8 | Very high | 117 Ų | 117 | 49.9 Ų | 49.9 | 63% | 0.626 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 36.8 | 168.9 | -62 | -26.6 | 0 | 0 | 0 | 112.7 | P56 L98 | P56-N100 WeakPolarHBondContact CA-O 3.5Å; P56-N100 WeakPolarHBondContact CB-O 3.45Å; L98-N100 PolarHBondContact O-N 3.35Å |
| 101 | C | 90.8 | Very high | 91.9 | Very high | 10 Ų | 10 | 56 Ų | 56 | 7% | 0.068 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -89.6 | 172.6 | 167.6 | 60.6 | 0 | 0 | 0 | 0 | 111 | K59 L98 M99 | K59-C101 HydrophobicContact CB-CB 3.73Å; K59-C101 HydrophobicContact CG-CB 4.08Å; L98-C101 VanDerWaalsContact O-CB 3.27Å; L98-C101 WeakPolarHBondContact O-CB 3.34Å; L98-C101 PolarHBondContact O-N 3.45Å; L98-C101 VanDerWaalsContact O-N 3.08Å; L98-C101 PolarHBondContact O-SG 3.15Å; M99-C101 PolarHBondContact O-N 3.45Å; M99-C101 VanDerWaalsContact O-N 3.12Å |
| 102 | I | 91.1 | Very high | 91.9 | Very high | 51 Ų | 51 | 56.6 Ų | 56.6 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | trans | -67.6 | 143.3 | 171.6 | -51 | 174.9 | 0 | 0 | 0 | 108.7 | P56 E57 K104 D105 R106 | P56-I102 HydrophobicContact CB-CG1 4.1Å; E57-I102 HydrophobicContact CG-CD1 3.68Å; I102-K104 HydrophobicContact CB-CD 4.42Å; I102-K104 HydrophobicContact CB-CG 4.2Å; I102-K104 HydrophobicContact CG2-CD 3.87Å; I102-K104 HydrophobicContact CG2-CG 3.85Å; I102-K104 PolarHBondContact O-N 2.91Å; I102-K104 VanDerWaalsContact O-N 3.14Å; I102-D105 WeakPolarHBondContact CB-OD2 3.44Å; I102-D105 WeakPolarHBondContact O-CA 3.34Å; I102-D105 WeakPolarHBondContact O-CB 3.4Å; I102-D105 PolarHBondContact O-N 3.4Å; I102-R106 PolarHBondContact O-N 3.31Å | ||
| 103 | E | 86.8 | Confident | 92 | Very high | 131 Ų | 131 | 56.4 Ų | 56.4 | 61% | 0.612 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -56.2 | -37.2 | -173.1 | -45.3 | -145.8 | 111.9 | 0 | 0 | 113.2 | D105 R106 | E103-D105 PolarHBondContact O-N 3.02Å; E103-R106 VanDerWaalsContact CD-NH1 3.27Å; E103-R106 WeakPolarHBondContact O-CB 3.34Å; E103-R106 PolarHBondContact O-N 3.3Å; E103-R106 IonicContact OE1-CZ 3.16Å; E103-R106 IonicContact OE1-NH1 2.72Å; E103-R106 PolarHBondContact OE1-NH1 3.12Å; E103-R106 IonicContact OE1-NH2 2.73Å; E103-R106 PolarHBondContact OE1-NH2 3.49Å |
| 104 | K | 87.9 | Confident | 92 | Very high | 138 Ų | 138 | 59.5 Ų | 59.5 | 60% | 0.6 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -59.1 | -25.8 | 174.5 | 78.7 | -168.4 | -178.2 | -176.9 | 0 | 114 | I102 P107 | I102-K104 HydrophobicContact CB-CD 4.42Å; I102-K104 HydrophobicContact CB-CG 4.2Å; I102-K104 HydrophobicContact CG2-CD 3.87Å; I102-K104 HydrophobicContact CG2-CG 3.85Å; I102-K104 PolarHBondContact O-N 2.91Å; I102-K104 VanDerWaalsContact O-N 3.14Å; K104-P107 WeakPolarHBondContact O-CD 3.3Å |
| 105 | D | 90.4 | Very high | 91.9 | Very high | 20 Ų | 20 | 62.6 Ų | 62.6 | 11% | 0.107 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -96.3 | -14.7 | -172.8 | -59.7 | -43.1 | 0 | 0 | 0 | 111.9 | V60 I102 E103 M108 | V60-D105 HydrophobicContact CG2-CB 3.92Å; I102-D105 WeakPolarHBondContact CB-OD2 3.44Å; I102-D105 WeakPolarHBondContact O-CA 3.34Å; I102-D105 WeakPolarHBondContact O-CB 3.4Å; I102-D105 PolarHBondContact O-N 3.4Å; E103-D105 PolarHBondContact O-N 3.02Å; D105-M108 VanDerWaalsContact O-CB 3.24Å; D105-M108 WeakPolarHBondContact O-CB 3.45Å; D105-M108 WeakPolarHBondContact O-CG 3.27Å; D105-M108 PolarHBondContact O-N 3.39Å; D105-M108 WeakPolarHBondContact OD1-CE 3.16Å |
| 106 | R | 90.3 | Very high | 92 | Very high | 99 Ų | 99 | 62.6 Ų | 62.6 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -49.4 | -46.2 | 173.8 | -67.4 | -177.9 | -174.6 | 135.2 | 6.8 | 114.7 | M99 I102 E103 M108 L109 | M99-R106 HydrophobicContact CE-CG 4.36Å; I102-R106 PolarHBondContact O-N 3.31Å; E103-R106 VanDerWaalsContact CD-NH1 3.27Å; E103-R106 WeakPolarHBondContact O-CB 3.34Å; E103-R106 PolarHBondContact O-N 3.3Å; E103-R106 IonicContact OE1-CZ 3.16Å; E103-R106 IonicContact OE1-NH1 2.72Å; E103-R106 PolarHBondContact OE1-NH1 3.12Å; E103-R106 IonicContact OE1-NH2 2.73Å; E103-R106 PolarHBondContact OE1-NH2 3.49Å; R106-M108 PolarHBondContact O-N 3.12Å; R106-M108 VanDerWaalsContact O-N 3.14Å; R106-L109 VanDerWaalsContact O-CB 3.31Å; R106-L109 WeakPolarHBondContact O-CB 3.5Å; R106-L109 PolarHBondContact O-N 2.85Å |
| 107 | P | 91.8 | Very high | 92 | Very high | 82 Ų | 82 | 63.7 Ų | 63.7 | 53% | 0.532 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.7 | -19.5 | 177.2 | 23.8 | -34.9 | 0 | 0 | 0 | 113.7 | K104 L109 R111 | K104-P107 WeakPolarHBondContact O-CD 3.3Å; P107-L109 VanDerWaalsContact C-N 3.29Å; P107-R111 WeakPolarHBondContact O-CB 3.38Å; P107-R111 PolarHBondContact O-N 3.35Å |
| 108 | M | 92.7 | Very high | 92 | Very high | 68 Ų | 68 | 69.7 Ų | 69.7 | 34% | 0.335 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71.6 | -25.3 | 173.9 | -48.9 | -168.5 | -163.5 | 0 | 0 | 112.2 | V60 D105 R106 M112 | V60-M108 HydrophobicContact CG1-CB 4Å; V60-M108 HydrophobicContact CG1-SD 4Å; V60-M108 HydrophobicContact CG2-CB 4.27Å; D105-M108 VanDerWaalsContact O-CB 3.24Å; D105-M108 WeakPolarHBondContact O-CB 3.45Å; D105-M108 WeakPolarHBondContact O-CG 3.27Å; D105-M108 PolarHBondContact O-N 3.39Å; D105-M108 WeakPolarHBondContact OD1-CE 3.16Å; R106-M108 PolarHBondContact O-N 3.12Å; R106-M108 VanDerWaalsContact O-N 3.14Å; M108-M112 PolarHBondContact O-N 2.79Å |
| 109 | L | 94.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.1 | -49.9 | 174.2 | -54.7 | 176.9 | 0 | 0 | 0 | 110.7 | V60 L63 L98 M99 R106 P107 R111 M112 L113 L134 | V60-L109 HydrophobicContact CG2-CD2 3.86Å; V60-L109 HydrophobicContact CG2-CG 4.47Å; L63-L109 HydrophobicContact CD2-CD2 3.63Å; L98-L109 HydrophobicContact CB-CD1 4.31Å; L98-L109 HydrophobicContact CB-CD2 4.16Å; L98-L109 HydrophobicContact CD1-CD2 4.31Å; M99-L109 HydrophobicContact CE-CD1 3.77Å; R106-L109 VanDerWaalsContact O-CB 3.31Å; R106-L109 WeakPolarHBondContact O-CB 3.5Å; R106-L109 PolarHBondContact O-N 2.85Å; P107-L109 VanDerWaalsContact C-N 3.29Å; L109-R111 VanDerWaalsContact C-N 3.33Å; L109-R111 PolarHBondContact O-N 3.29Å; L109-M112 PolarHBondContact O-N 3.21Å; L109-M112 VanDerWaalsContact O-N 3.11Å; L109-L113 PolarHBondContact O-N 3.42Å; L109-L134 HydrophobicContact CB-CD1 3.99Å; L109-L134 HydrophobicContact CB-CD2 4.24Å; L109-L134 HydrophobicContact CD1-CD2 3.93Å |
| 110 | M | 92.1 | Very high | 91.9 | Very high | 83 Ų | 83 | 75.5 Ų | 75.5 | 41% | 0.409 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 174.3 | -73.8 | -62.7 | -161.4 | 0 | 0 | 111.6 | M112 L113 Y114 L134 | M110-M112 VanDerWaalsContact C-N 3.26Å; M110-M112 PolarHBondContact O-N 2.87Å; M110-L113 PolarHBondContact O-N 2.87Å; M110-Y114 PolarHBondContact O-N 3.3Å; M110-L134 HydrophobicContact CE-CB 3.97Å; M110-L134 HydrophobicContact CE-CD1 4.33Å; M110-L134 HydrophobicContact CG-CD1 4.26Å; M110-L134 HydrophobicContact SD-CB 4.44Å; M110-L134 HydrophobicContact SD-CD1 3.72Å |
| 111 | R | 94.2 | Very high | 91.9 | Very high | 183 Ų | 183 | 70.2 Ų | 70.2 | 69% | 0.691 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.4 | -34.7 | 174.8 | -174.6 | 174.6 | -179.8 | 162.5 | 2.6 | 112.6 | P107 L109 L115 | P107-R111 WeakPolarHBondContact O-CB 3.38Å; P107-R111 PolarHBondContact O-N 3.35Å; L109-R111 VanDerWaalsContact C-N 3.33Å; L109-R111 PolarHBondContact O-N 3.29Å; R111-L115 HydrophobicContact CG-CD1 4.31Å; R111-L115 WeakPolarHBondContact O-CB 3.12Å; R111-L115 VanDerWaalsContact O-CG 3.26Å; R111-L115 WeakPolarHBondContact O-CG 3.43Å; R111-L115 PolarHBondContact O-N 2.93Å; R111-L115 VanDerWaalsContact O-N 3.11Å |
| 112 | M | 94.3 | Very high | 92 | Very high | 12 Ų | 12 | 70 Ų | 70 | 6% | 0.059 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71 | -43.4 | 175.9 | -173.4 | 59.5 | 82.2 | 0 | 0 | 112 | L63 Y64 D67 M108 L109 M110 Y114 L115 W116 | L63-M112 HydrophobicContact CD1-CG 4.44Å; L63-M112 HydrophobicContact CD2-CB 3.83Å; L63-M112 HydrophobicContact CD2-CG 3.87Å; L63-M112 HydrophobicContact CG-CG 4.08Å; Y64-M112 HydrophobicContact CD1-CE 3.45Å; Y64-M112 VanDerWaalsContact CD1-CE 3.45Å; Y64-M112 HydrophobicContact CE1-CE 3.75Å; D67-M112 HydrophobicContact CB-CE 3.65Å; D67-M112 HydrophobicContact CB-SD 3.88Å; D67-M112 VanDerWaalsContact OD1-SD 3.37Å; M108-M112 PolarHBondContact O-N 2.79Å; L109-M112 PolarHBondContact O-N 3.21Å; L109-M112 VanDerWaalsContact O-N 3.11Å; M110-M112 VanDerWaalsContact C-N 3.26Å; M110-M112 PolarHBondContact O-N 2.87Å; M112-Y114 PolarHBondContact O-N 3.25Å; M112-L115 CarbonylContact O-C 3.58Å; M112-L115 PolarHBondContact O-N 2.94Å; M112-L115 VanDerWaalsContact O-N 3.11Å; M112-W116 HydrophobicContact CG-CD2 4.31Å; M112-W116 HydrophobicContact CG-CZ2 4Å; M112-W116 PolarHBondContact O-N 2.94Å |
| 113 | L | 94.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 175.3 | -72.6 | -175 | 0 | 0 | 0 | 111.7 | F95 L109 M110 L115 W116 Q117 I127 L130 C131 L134 | F95-L113 HydrophobicContact CE1-CD1 3.89Å; F95-L113 HydrophobicContact CE1-CD2 3.63Å; F95-L113 HydrophobicContact CE1-CG 3.79Å; F95-L113 HydrophobicContact CZ-CD2 3.55Å; F95-L113 HydrophobicContact CZ-CG 4.14Å; L109-L113 PolarHBondContact O-N 3.42Å; M110-L113 PolarHBondContact O-N 2.87Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 3.2Å; L113-W116 HydrophobicContact CD2-CE3 3.79Å; L113-W116 HydrophobicContact CD2-CZ3 4.11Å; L113-W116 PolarHBondContact O-N 3.09Å; L113-W116 VanDerWaalsContact O-N 3.08Å; L113-Q117 PolarHBondContact O-N 2.83Å; L113-I127 HydrophobicContact CB-CG2 4.15Å; L113-I127 HydrophobicContact CD2-CG2 4.45Å; L113-L130 HydrophobicContact CD1-CB 3.91Å; L113-L130 HydrophobicContact CD2-CB 4.06Å; L113-L130 HydrophobicContact CD2-CD1 4.05Å; L113-C131 HydrophobicContact CD1-CB 4.48Å; L113-C131 VanDerWaalsContact CD1-SG 3.54Å; L113-L134 HydrophobicContact CD1-CD1 3.57Å; L113-L134 HydrophobicContact CD1-CG 4.4Å; L113-L134 HydrophobicContact CG-CD1 4.39Å |
| 114 | Y | 93.8 | Very high | 92.4 | Very high | 133 Ų | 133 | 67.4 Ų | 67.4 | 52% | 0.522 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.7 | -38.8 | 173.4 | 175.9 | -99.2 | 0 | 0 | 0 | 112.9 | M110 M112 Q117 K118 | M110-Y114 PolarHBondContact O-N 3.3Å; M112-Y114 PolarHBondContact O-N 3.25Å; Y114-Q117 PolarHBondContact O-N 3.34Å; Y114-K118 HydrophobicContact CE1-CD 4.39Å; Y114-K118 WeakPolarHBondContact O-CB 3.45Å; Y114-K118 PolarHBondContact O-N 3.02Å |
| 115 | L | 93.9 | Very high | 92.6 | Very high | 73 Ų | 73 | 66.6 Ų | 66.6 | 38% | 0.382 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.9 | -26.7 | 175.3 | -74 | 171.1 | 0 | 0 | 0 | 113.3 | R71 R111 M112 L113 S119 | R71-L115 PolarHBondContact NH2-O 2.81Å; R111-L115 HydrophobicContact CG-CD1 4.31Å; R111-L115 WeakPolarHBondContact O-CB 3.12Å; R111-L115 VanDerWaalsContact O-CG 3.26Å; R111-L115 WeakPolarHBondContact O-CG 3.43Å; R111-L115 PolarHBondContact O-N 2.93Å; R111-L115 VanDerWaalsContact O-N 3.11Å; M112-L115 CarbonylContact O-C 3.58Å; M112-L115 PolarHBondContact O-N 2.94Å; M112-L115 VanDerWaalsContact O-N 3.11Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 3.2Å; L115-S119 PolarHBondContact O-OG 2.99Å |
| 116 | W | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.2 | -41 | 169.4 | -70.5 | -10.6 | 0 | 0 | 0 | 111.1 | L63 I66 D67 L91 F95 M112 L113 S119 S120 V121 F122 I127 | L63-W116 HydrophobicContact CD1-CH2 3.61Å; L63-W116 HydrophobicContact CD1-CZ2 3.92Å; I66-W116 HydrophobicContact CG2-CH2 4.36Å; I66-W116 HydrophobicContact CG2-CZ2 4.35Å; D67-W116 HydrophobicContact CB-CZ2 4.34Å; D67-W116 PolarHBondContact OD1-NE1 2.79Å; L91-W116 HydrophobicContact CD1-CH2 4.37Å; L91-W116 HydrophobicContact CD1-CZ3 4.31Å; L91-W116 HydrophobicContact CD2-CZ3 4.25Å; F95-W116 HydrophobicContact CE2-CH2 4.13Å; F95-W116 AromaticContact CE2-CZ3 3.83Å; F95-W116 HydrophobicContact CE2-CZ3 3.83Å; F95-W116 HydrophobicContact CZ-CH2 4.23Å; F95-W116 AromaticContact CZ-CZ3 3.78Å; F95-W116 HydrophobicContact CZ-CZ3 3.78Å; M112-W116 HydrophobicContact CG-CD2 4.31Å; M112-W116 HydrophobicContact CG-CZ2 4Å; M112-W116 PolarHBondContact O-N 2.94Å; L113-W116 HydrophobicContact CD2-CE3 3.79Å; L113-W116 HydrophobicContact CD2-CZ3 4.11Å; L113-W116 PolarHBondContact O-N 3.09Å; L113-W116 VanDerWaalsContact O-N 3.08Å; W116-S119 CarbonylContact O-C 3.17Å; W116-S119 PolarHBondContact O-N 3.05Å; W116-S120 PolarHBondContact O-N 2.8Å; W116-V121 HydrophobicContact CB-CB 4.13Å; W116-V121 HydrophobicContact CG-CB 4.14Å; W116-V121 HydrophobicContact CG-CG1 4.3Å; W116-V121 PolarHBondContact O-N 3.49Å; W116-V121 VanDerWaalsContact O-N 3.09Å; W116-F122 AromaticContact CD2-CD2 3.92Å; W116-F122 HydrophobicContact CD2-CD2 3.92Å; W116-F122 AromaticContact CD2-CE2 3.99Å; W116-F122 HydrophobicContact CD2-CE2 3.99Å; W116-F122 AromaticContact CE3-CD2 3.59Å; W116-F122 HydrophobicContact CE3-CD2 3.59Å; W116-F122 AromaticContact CE3-CE2 3.73Å; W116-F122 HydrophobicContact CE3-CE2 3.73Å; W116-F122 HydrophobicContact CG-CD2 4.4Å; W116-F122 HydrophobicContact CH2-CE2 4Å; W116-F122 HydrophobicContact CZ2-CE2 4.25Å; W116-F122 HydrophobicContact CZ3-CD2 4.01Å; W116-F122 AromaticContact CZ3-CE2 3.74Å; W116-F122 HydrophobicContact CZ3-CE2 3.74Å; W116-I127 HydrophobicContact CB-CD1 3.88Å |
| 117 | Q | 93.8 | Very high | 92.9 | Very high | 74 Ų | 74 | 60.9 Ų | 60.9 | 35% | 0.346 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.9 | -55.6 | 178.5 | -152.3 | -176 | 2.5 | 0 | 0 | 111.1 | L113 Y114 S119 S120 D124 I127 | L113-Q117 PolarHBondContact O-N 2.83Å; Y114-Q117 PolarHBondContact O-N 3.34Å; Q117-S119 PolarHBondContact O-N 3.03Å; Q117-S120 PolarHBondContact O-N 3.14Å; Q117-S120 VanDerWaalsContact O-N 3.08Å; Q117-D124 WeakPolarHBondContact CG-OD1 3.26Å; Q117-I127 HydrophobicContact CB-CD1 4.01Å; Q117-I127 HydrophobicContact CB-CG2 4.26Å; Q117-I127 HydrophobicContact CG-CD1 4.31Å; Q117-I127 HydrophobicContact CG-CG2 4.35Å |
| 118 | K | 91.4 | Very high | 93 | Very high | 159 Ų | 159 | 61.4 Ų | 61.4 | 69% | 0.691 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -10.9 | 179.8 | -178.8 | 163.1 | -177.9 | 169.3 | 0 | 114.5 | Y114 | Y114-K118 HydrophobicContact CE1-CD 4.39Å; Y114-K118 WeakPolarHBondContact O-CB 3.45Å; Y114-K118 PolarHBondContact O-N 3.02Å |
| 119 | S | 89.7 | Confident | 92.9 | Very high | 49 Ų | 49 | 59 Ų | 59 | 34% | 0.343 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | 22.4 | 177.1 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | R71 L115 W116 Q117 V121 | R71-S119 PolarHBondContact NH1-OG 3.18Å; R71-S119 PolarHBondContact NH2-OG 3.03Å; L115-S119 PolarHBondContact O-OG 2.99Å; W116-S119 CarbonylContact O-C 3.17Å; W116-S119 PolarHBondContact O-N 3.05Å; Q117-S119 PolarHBondContact O-N 3.03Å; S119-V121 PolarHBondContact O-N 3Å |
| 120 | S | 90.1 | Very high | 92.9 | Very high | 101 Ų | 101 | 59 Ų | 59 | 71% | 0.706 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43 | 35.7 | 174.4 | 52.8 | 0 | 0 | 0 | 0 | 115.6 | W116 Q117 F122 | W116-S120 PolarHBondContact O-N 2.8Å; Q117-S120 PolarHBondContact O-N 3.14Å; Q117-S120 VanDerWaalsContact O-N 3.08Å; S120-F122 PolarHBondContact O-N 3.39Å |
| 121 | V | 91.3 | Very high | 92.9 | Very high | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -64.6 | -33.3 | -177.7 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | V70 R71 Q74 W116 S119 | V70-V121 HydrophobicContact CG1-CG1 3.65Å; R71-V121 HydrophobicContact CG-CG2 4.42Å; Q74-V121 PolarHBondContact NE2-O 2.95Å; W116-V121 HydrophobicContact CB-CB 4.13Å; W116-V121 HydrophobicContact CG-CB 4.14Å; W116-V121 HydrophobicContact CG-CG1 4.3Å; W116-V121 PolarHBondContact O-N 3.49Å; W116-V121 VanDerWaalsContact O-N 3.09Å; S119-V121 PolarHBondContact O-N 3Å |
| 122 | F | 92.7 | Very high | 92.6 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -134.3 | 158.4 | 167.4 | -62.7 | -71.4 | 0 | 0 | 0 | 108.3 | V70 L88 L91 W116 S120 I127 | V70-F122 HydrophobicContact CG1-CZ 4.43Å; V70-F122 HydrophobicContact CG2-CZ 4.39Å; L88-F122 HydrophobicContact CB-CD1 4.46Å; L88-F122 HydrophobicContact CB-CE1 4.15Å; L88-F122 HydrophobicContact CD1-CD1 4.28Å; L91-F122 HydrophobicContact CD2-CD2 4.24Å; L91-F122 HydrophobicContact CD2-CE1 4.43Å; L91-F122 HydrophobicContact CD2-CE2 4.03Å; L91-F122 HydrophobicContact CD2-CZ 4.13Å; W116-F122 AromaticContact CD2-CD2 3.92Å; W116-F122 HydrophobicContact CD2-CD2 3.92Å; W116-F122 AromaticContact CD2-CE2 3.99Å; W116-F122 HydrophobicContact CD2-CE2 3.99Å; W116-F122 AromaticContact CE3-CD2 3.59Å; W116-F122 HydrophobicContact CE3-CD2 3.59Å; W116-F122 AromaticContact CE3-CE2 3.73Å; W116-F122 HydrophobicContact CE3-CE2 3.73Å; W116-F122 HydrophobicContact CG-CD2 4.4Å; W116-F122 HydrophobicContact CH2-CE2 4Å; W116-F122 HydrophobicContact CZ2-CE2 4.25Å; W116-F122 HydrophobicContact CZ3-CD2 4.01Å; W116-F122 AromaticContact CZ3-CE2 3.74Å; W116-F122 HydrophobicContact CZ3-CE2 3.74Å; S120-F122 PolarHBondContact O-N 3.39Å; F122-I127 HydrophobicContact CB-CD1 4.41Å; F122-I127 HydrophobicContact CB-CG1 4.29Å; F122-I127 WeakPolarHBondContact O-CD1 3.43Å |
| 123 | P | 92.8 | Very high | 92.4 | Very high | 52 Ų | 52 | 48.9 Ų | 48.9 | 34% | 0.338 | 26% | 0.264 | S | S | . | . | trans | -62.6 | 149.5 | 176.8 | -25.1 | 37.6 | 0 | 0 | 0 | 113.3 | E125 V126 I127 | P123-E125 VanDerWaalsContact C-N 3.27Å; P123-E125 WeakPolarHBondContact CB-OE2 3.49Å; P123-E125 PolarHBondContact O-N 3.06Å; P123-V126 WeakPolarHBondContact O-CB 3.28Å; P123-V126 PolarHBondContact O-N 3.26Å; P123-V126 VanDerWaalsContact O-N 3.14Å; P123-I127 PolarHBondContact O-N 2.99Å | ||
| 124 | D | 92.3 | Very high | 92.1 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 40% | 0.401 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65 | -29.7 | -172.6 | -72 | -31.2 | 0 | 0 | 0 | 112.9 | Q117 V126 I127 N128 | Q117-D124 WeakPolarHBondContact CG-OD1 3.26Å; D124-V126 VanDerWaalsContact C-N 3.32Å; D124-V126 PolarHBondContact O-N 3.1Å; D124-I127 PolarHBondContact O-N 3.46Å; D124-N128 WeakPolarHBondContact O-CB 3.4Å; D124-N128 PolarHBondContact O-N 3.16Å; D124-N128 PolarHBondContact O-ND2 2.93Å |
| 125 | E | 93 | Very high | 91.8 | Very high | 120 Ų | 120 | 47 Ų | 47 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 176.1 | -47.5 | 80.2 | -178.6 | 0 | 0 | 110.8 | P123 A129 V149 | P123-E125 VanDerWaalsContact C-N 3.27Å; P123-E125 WeakPolarHBondContact CB-OE2 3.49Å; P123-E125 PolarHBondContact O-N 3.06Å; E125-A129 WeakPolarHBondContact O-CB 3.5Å; E125-A129 PolarHBondContact O-N 3.07Å; E125-V149 HydrophobicContact CB-CG1 3.77Å |
| 126 | V | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | L88 P123 D124 A129 L130 V149 I150 | L88-V126 HydrophobicContact CD1-CB 4.46Å; L88-V126 HydrophobicContact CD1-CG1 3.62Å; L88-V126 HydrophobicContact CD1-CG2 4.07Å; P123-V126 WeakPolarHBondContact O-CB 3.28Å; P123-V126 PolarHBondContact O-N 3.26Å; P123-V126 VanDerWaalsContact O-N 3.14Å; D124-V126 VanDerWaalsContact C-N 3.32Å; D124-V126 PolarHBondContact O-N 3.1Å; V126-A129 PolarHBondContact O-N 3.01Å; V126-L130 HydrophobicContact CG1-CD1 4.05Å; V126-L130 VanDerWaalsContact O-CG 3.29Å; V126-L130 WeakPolarHBondContact O-CG 3.41Å; V126-L130 PolarHBondContact O-N 3.26Å; V126-V149 HydrophobicContact CG2-CG1 4.39Å; V126-I150 HydrophobicContact CG1-CD1 4.27Å; V126-I150 HydrophobicContact CG1-CG1 3.93Å; V126-I150 HydrophobicContact CG2-CG1 4.23Å |
| 127 | I | 93.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.5 | -44.5 | -179.2 | -64.9 | 175 | 0 | 0 | 0 | 110.5 | L113 W116 Q117 F122 P123 D124 A129 L130 C131 | L113-I127 HydrophobicContact CB-CG2 4.15Å; L113-I127 HydrophobicContact CD2-CG2 4.45Å; W116-I127 HydrophobicContact CB-CD1 3.88Å; Q117-I127 HydrophobicContact CB-CD1 4.01Å; Q117-I127 HydrophobicContact CB-CG2 4.26Å; Q117-I127 HydrophobicContact CG-CD1 4.31Å; Q117-I127 HydrophobicContact CG-CG2 4.35Å; F122-I127 HydrophobicContact CB-CD1 4.41Å; F122-I127 HydrophobicContact CB-CG1 4.29Å; F122-I127 WeakPolarHBondContact O-CD1 3.43Å; P123-I127 PolarHBondContact O-N 2.99Å; D124-I127 PolarHBondContact O-N 3.46Å; I127-A129 VanDerWaalsContact C-N 3.33Å; I127-A129 PolarHBondContact O-N 3.17Å; I127-L130 PolarHBondContact O-N 3.36Å; I127-L130 VanDerWaalsContact O-N 3.17Å; I127-C131 PolarHBondContact O-N 3.22Å; I127-C131 PolarHBondContact O-SG 3.22Å; I127-C131 VanDerWaalsContact O-SG 3.37Å |
| 128 | N | 92.8 | Very high | 89.8 | Confident | 92 Ų | 92 | 56.1 Ų | 56.1 | 49% | 0.492 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 175.2 | -72.5 | -36.4 | 0 | 0 | 0 | 111.9 | D124 C131 G132 | D124-N128 WeakPolarHBondContact O-CB 3.4Å; D124-N128 PolarHBondContact O-N 3.16Å; D124-N128 PolarHBondContact O-ND2 2.93Å; N128-C131 WeakPolarHBondContact O-CB 3.38Å; N128-C131 PolarHBondContact O-N 2.98Å; N128-G132 PolarHBondContact O-N 3.36Å; N128-G132 VanDerWaalsContact O-N 3.12Å |
| 129 | A | 92.4 | Very high | 89.5 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -40 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E125 V126 I127 G132 V133 A146 V149 | E125-A129 WeakPolarHBondContact O-CB 3.5Å; E125-A129 PolarHBondContact O-N 3.07Å; V126-A129 PolarHBondContact O-N 3.01Å; I127-A129 VanDerWaalsContact C-N 3.33Å; I127-A129 PolarHBondContact O-N 3.17Å; A129-G132 PolarHBondContact O-N 3.11Å; A129-V133 PolarHBondContact O-N 3.2Å; A129-V133 VanDerWaalsContact O-N 3.09Å; A129-A146 HydrophobicContact CB-CB 3.93Å; A129-V149 HydrophobicContact CB-CB 4.5Å; A129-V149 HydrophobicContact CB-CG1 4.47Å |
| 130 | L | 93.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.9 | -34.7 | 175.4 | -68.1 | 168.8 | 0 | 0 | 0 | 112.7 | L91 V92 F95 L113 V126 I127 G132 V133 L134 | L91-L130 HydrophobicContact CD2-CD1 3.61Å; L91-L130 HydrophobicContact CG-CD1 3.8Å; L91-L130 HydrophobicContact CG-CD2 4.3Å; V92-L130 HydrophobicContact CG2-CD2 4.07Å; F95-L130 HydrophobicContact CB-CD2 4.11Å; F95-L130 HydrophobicContact CD1-CB 4.42Å; F95-L130 HydrophobicContact CD1-CD2 4.38Å; F95-L130 HydrophobicContact CD2-CD2 4.03Å; F95-L130 HydrophobicContact CE2-CD1 4.36Å; F95-L130 HydrophobicContact CG-CD2 3.9Å; L113-L130 HydrophobicContact CD1-CB 3.91Å; L113-L130 HydrophobicContact CD2-CB 4.06Å; L113-L130 HydrophobicContact CD2-CD1 4.05Å; V126-L130 HydrophobicContact CG1-CD1 4.05Å; V126-L130 VanDerWaalsContact O-CG 3.29Å; V126-L130 WeakPolarHBondContact O-CG 3.41Å; V126-L130 PolarHBondContact O-N 3.26Å; I127-L130 PolarHBondContact O-N 3.36Å; I127-L130 VanDerWaalsContact O-N 3.17Å; L130-G132 VanDerWaalsContact C-N 3.3Å; L130-G132 PolarHBondContact O-N 3.14Å; L130-V133 PolarHBondContact O-N 3.2Å; L130-L134 PolarHBondContact O-N 2.91Å |
| 131 | C | 92 | Very high | 89 | Confident | 38 Ų | 38 | 55.4 Ų | 55.4 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 170 | -71.7 | 0 | 0 | 0 | 0 | 111.1 | L113 I127 N128 L134 S135 | L113-C131 HydrophobicContact CD1-CB 4.48Å; L113-C131 VanDerWaalsContact CD1-SG 3.54Å; I127-C131 PolarHBondContact O-N 3.22Å; I127-C131 PolarHBondContact O-SG 3.22Å; I127-C131 VanDerWaalsContact O-SG 3.37Å; N128-C131 WeakPolarHBondContact O-CB 3.38Å; N128-C131 PolarHBondContact O-N 2.98Å; C131-L134 PolarHBondContact O-N 2.94Å; C131-S135 PolarHBondContact O-N 3.38Å; C131-S135 VanDerWaalsContact O-N 3.17Å; C131-S135 PolarHBondContact O-OG 3.45Å |
| 132 | G | 88.8 | Confident | 88.9 | Confident | 27 Ų | 27 | 57 Ų | 57 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.5 | -45 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N128 A129 L130 L134 S135 D136 | N128-G132 PolarHBondContact O-N 3.36Å; N128-G132 VanDerWaalsContact O-N 3.12Å; A129-G132 PolarHBondContact O-N 3.11Å; L130-G132 VanDerWaalsContact C-N 3.3Å; L130-G132 PolarHBondContact O-N 3.14Å; G132-L134 VanDerWaalsContact C-N 3.28Å; G132-L134 PolarHBondContact O-N 3.47Å; G132-S135 PolarHBondContact O-N 3.13Å; G132-S135 VanDerWaalsContact O-N 3.14Å; G132-D136 PolarHBondContact O-N 3.1Å |
| 133 | V | 90.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.5 | -27.4 | 176.7 | 173.9 | 0 | 0 | 0 | 0 | 112.7 | F95 V96 A129 L130 P137 V142 A146 | F95-V133 HydrophobicContact CB-CG1 4.48Å; V96-V133 HydrophobicContact CG2-CG1 3.83Å; A129-V133 PolarHBondContact O-N 3.2Å; A129-V133 VanDerWaalsContact O-N 3.09Å; L130-V133 PolarHBondContact O-N 3.2Å; V133-P137 WeakPolarHBondContact O-CA 3.41Å; V133-P137 WeakPolarHBondContact O-CB 3.37Å; V133-P137 WeakPolarHBondContact O-CD 3.49Å; V133-V142 HydrophobicContact CG2-CG1 4.05Å; V133-A146 HydrophobicContact CG2-CB 3.55Å |
| 134 | L | 88.8 | Confident | 88.5 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -75.2 | -27.7 | 172.3 | -73.6 | -178.3 | 0 | 0 | 0 | 113.4 | F95 M99 L109 M110 L113 L130 C131 G132 | F95-L134 HydrophobicContact CD1-CD1 4.23Å; F95-L134 HydrophobicContact CD1-CD2 3.81Å; F95-L134 HydrophobicContact CD1-CG 3.95Å; F95-L134 HydrophobicContact CE1-CD1 4.17Å; F95-L134 HydrophobicContact CE1-CD2 4.41Å; F95-L134 HydrophobicContact CE1-CG 4.39Å; M99-L134 HydrophobicContact CE-CD2 3.64Å; M99-L134 HydrophobicContact CG-CD2 4.16Å; M99-L134 HydrophobicContact SD-CB 4.46Å; M99-L134 HydrophobicContact SD-CD2 3.8Å; L109-L134 HydrophobicContact CB-CD1 3.99Å; L109-L134 HydrophobicContact CB-CD2 4.24Å; L109-L134 HydrophobicContact CD1-CD2 3.93Å; M110-L134 HydrophobicContact CE-CB 3.97Å; M110-L134 HydrophobicContact CE-CD1 4.33Å; M110-L134 HydrophobicContact CG-CD1 4.26Å; M110-L134 HydrophobicContact SD-CB 4.44Å; M110-L134 HydrophobicContact SD-CD1 3.72Å; L113-L134 HydrophobicContact CD1-CD1 3.57Å; L113-L134 HydrophobicContact CD1-CG 4.4Å; L113-L134 HydrophobicContact CG-CD1 4.39Å; L130-L134 PolarHBondContact O-N 2.91Å; C131-L134 PolarHBondContact O-N 2.94Å; G132-L134 VanDerWaalsContact C-N 3.28Å; G132-L134 PolarHBondContact O-N 3.47Å |
| 135 | S | 85.7 | Confident | 88.4 | Confident | 78 Ų | 78 | 62.6 Ų | 62.6 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -75.5 | -53 | 174.4 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | C131 G132 P137 | C131-S135 PolarHBondContact O-N 3.38Å; C131-S135 VanDerWaalsContact O-N 3.17Å; C131-S135 PolarHBondContact O-OG 3.45Å; G132-S135 PolarHBondContact O-N 3.13Å; G132-S135 VanDerWaalsContact O-N 3.14Å; S135-P137 VanDerWaalsContact C-CD 3.44Å; S135-P137 WeakPolarHBondContact O-CD 3.3Å |
| 136 | D | 82.6 | Confident | 88.2 | Confident | 95 Ų | 95 | 57 Ų | 57 | 51% | 0.508 | 31% | 0.308 | S | S | . | . | trans | -125.6 | 62.6 | -172.9 | -77.5 | -63.4 | 0 | 0 | 0 | 113.3 | G132 K138 N139 | G132-D136 PolarHBondContact O-N 3.1Å; D136-K138 PolarHBondContact O-N 3.06Å; D136-N139 HydrophobicContact CB-CB 4.07Å; D136-N139 PolarHBondContact O-N 2.92Å | ||
| 137 | P | 80.5 | Confident | 88.1 | Confident | 42 Ų | 42 | 60.6 Ų | 60.6 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -8.8 | -179.4 | 28.6 | -37.7 | 0 | 0 | 0 | 114.2 | M99 V133 S135 | M99-P137 HydrophobicContact CB-CB 4.45Å; M99-P137 HydrophobicContact CB-CG 4.38Å; M99-P137 HydrophobicContact CG-CB 3.92Å; M99-P137 HydrophobicContact CG-CG 3.96Å; M99-P137 HydrophobicContact SD-CB 4.32Å; M99-P137 HydrophobicContact SD-CG 3.82Å; V133-P137 WeakPolarHBondContact O-CA 3.41Å; V133-P137 WeakPolarHBondContact O-CB 3.37Å; V133-P137 WeakPolarHBondContact O-CD 3.49Å; S135-P137 VanDerWaalsContact C-CD 3.44Å; S135-P137 WeakPolarHBondContact O-CD 3.3Å |
| 138 | K | 78.8 | Confident | 88 | Confident | 201 Ų | 201 | 65.9 Ų | 65.9 | 87% | 0.874 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -14 | 175.6 | -65.5 | 179.1 | -178.1 | 173.1 | 0 | 113.2 | D136 P140 | D136-K138 PolarHBondContact O-N 3.06Å; K138-P140 WeakPolarHBondContact O-CD 3.43Å |
| 139 | N | 85.7 | Confident | 87.9 | Confident | 55 Ų | 55 | 62.8 Ų | 62.8 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | trans | -86.5 | 112.8 | -179.4 | -174.8 | -14.9 | 0 | 0 | 0 | 110 | D136 Q141 V142 V143 | D136-N139 HydrophobicContact CB-CB 4.07Å; D136-N139 PolarHBondContact O-N 2.92Å; N139-Q141 VanDerWaalsContact C-N 3.27Å; N139-Q141 PolarHBondContact O-N 2.9Å; N139-Q141 WeakPolarHBondContact OD1-CB 3.5Å; N139-Q141 PolarHBondContact OD1-N 3.48Å; N139-V142 HydrophobicContact CB-CB 4.3Å; N139-V142 HydrophobicContact CB-CG2 3.97Å; N139-V142 PolarHBondContact O-N 3.18Å; N139-V143 PolarHBondContact O-N 2.98Å | ||
| 140 | P | 85.1 | Confident | 87.8 | Confident | 87 Ų | 87 | 62.2 Ų | 62.2 | 57% | 0.565 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.3 | -31.5 | -179.1 | 26.7 | -34.5 | 0 | 0 | 0 | 112.6 | K138 V142 V143 E144 | K138-P140 WeakPolarHBondContact O-CD 3.43Å; P140-V142 PolarHBondContact O-N 3.15Å; P140-V143 PolarHBondContact O-N 2.94Å; P140-E144 WeakPolarHBondContact O-CG 3.43Å; P140-E144 PolarHBondContact O-N 2.93Å |
| 141 | Q | 84 | Confident | 87.7 | Confident | 153 Ų | 153 | 66.7 Ų | 66.7 | 72% | 0.715 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65 | -39.8 | -180 | -64.7 | 177.9 | -35 | 0 | 0 | 111.9 | N139 V143 K145 | N139-Q141 VanDerWaalsContact C-N 3.27Å; N139-Q141 PolarHBondContact O-N 2.9Å; N139-Q141 WeakPolarHBondContact OD1-CB 3.5Å; N139-Q141 PolarHBondContact OD1-N 3.48Å; Q141-V143 VanDerWaalsContact C-N 3.34Å; Q141-K145 VanDerWaalsContact O-CB 3.27Å; Q141-K145 WeakPolarHBondContact O-CB 3.37Å; Q141-K145 PolarHBondContact O-N 2.99Å |
| 142 | V | 87.9 | Confident | 87.5 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.6 | -39 | 175.6 | 179 | 0 | 0 | 0 | 0 | 110.5 | V133 N139 P140 A146 | V133-V142 HydrophobicContact CG2-CG1 4.05Å; N139-V142 HydrophobicContact CB-CB 4.3Å; N139-V142 HydrophobicContact CB-CG2 3.97Å; N139-V142 PolarHBondContact O-N 3.18Å; P140-V142 PolarHBondContact O-N 3.15Å; V142-A146 WeakPolarHBondContact O-CB 3.24Å; V142-A146 PolarHBondContact O-N 3.35Å |
| 143 | V | 89.2 | Confident | 87.4 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71 | -37.5 | 179.3 | 171.9 | 0 | 0 | 0 | 0 | 112.8 | V92 V96 N139 P140 Q141 K147 | V92-V143 HydrophobicContact CG1-CG1 3.93Å; V96-V143 HydrophobicContact CG2-CG2 4.33Å; N139-V143 PolarHBondContact O-N 2.98Å; P140-V143 PolarHBondContact O-N 2.94Å; Q141-V143 VanDerWaalsContact C-N 3.34Å; V143-K147 WeakPolarHBondContact O-CE 3.45Å; V143-K147 WeakPolarHBondContact O-CG 3.38Å |
| 144 | E | 89 | Confident | 87.2 | Confident | 89 Ų | 89 | 70.5 Ų | 70.5 | 42% | 0.416 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.9 | -46.5 | 173.3 | -61.7 | -44.4 | 130.6 | 0 | 0 | 111.5 | P140 A146 K147 E148 | P140-E144 WeakPolarHBondContact O-CG 3.43Å; P140-E144 PolarHBondContact O-N 2.93Å; E144-A146 PolarHBondContact O-N 2.99Å; E144-K147 WeakPolarHBondContact O-CA 3.31Å; E144-K147 WeakPolarHBondContact O-CB 3.24Å; E144-K147 PolarHBondContact O-N 3.29Å; E144-K147 IonicContact OE1-NZ 2.66Å; E144-K147 PolarHBondContact OE1-NZ 3.4Å; E144-K147 WeakPolarHBondContact OE2-CD 3.24Å; E144-K147 WeakPolarHBondContact OE2-CE 3.24Å; E144-K147 IonicContact OE2-NZ 3.96Å; E144-K147 PolarHBondContact OE2-NZ 3.41Å; E144-E148 PolarHBondContact O-N 3.35Å |
| 145 | K | 89.1 | Confident | 86.8 | Confident | 140 Ų | 140 | 74.3 Ų | 74.3 | 61% | 0.609 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -55.4 | -37.9 | 176.3 | -175.7 | 172.6 | -178 | 173.9 | 0 | 112.6 | Q141 K147 E148 V149 | Q141-K145 VanDerWaalsContact O-CB 3.27Å; Q141-K145 WeakPolarHBondContact O-CB 3.37Å; Q141-K145 PolarHBondContact O-N 2.99Å; K145-K147 VanDerWaalsContact C-N 3.29Å; K145-K147 PolarHBondContact O-N 3.14Å; K145-E148 WeakPolarHBondContact CA-OE2 3.47Å; K145-E148 PolarHBondContact O-N 3.41Å; K145-V149 WeakPolarHBondContact O-CG2 3.48Å; K145-V149 PolarHBondContact O-N 2.78Å; K145-V149 VanDerWaalsContact O-N 3.17Å |
| 146 | A | 89.9 | Confident | 86.1 | Confident | 2 Ų | 2 | 76 Ų | 76 | 2% | 0.017 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.1 | -20.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V92 A129 V133 V142 E144 I150 | V92-A146 HydrophobicContact CG2-CB 3.53Å; A129-A146 HydrophobicContact CB-CB 3.93Å; V133-A146 HydrophobicContact CG2-CB 3.55Å; V142-A146 WeakPolarHBondContact O-CB 3.24Å; V142-A146 PolarHBondContact O-N 3.35Å; E144-A146 PolarHBondContact O-N 2.99Å; A146-I150 WeakPolarHBondContact O-CD1 3.39Å; A146-I150 VanDerWaalsContact O-CG1 3.27Å; A146-I150 WeakPolarHBondContact O-CG1 3.43Å |
| 147 | K | 91.4 | Very high | 84.9 | Confident | 76 Ų | 76 | 74.8 Ų | 74.8 | 33% | 0.33 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -80 | -39.2 | 169.6 | -62.3 | 172.3 | -148.6 | 167.2 | 0 | 111.5 | V92 V143 E144 K145 I150 I151 | V92-K147 HydrophobicContact CB-CG 4.45Å; V92-K147 HydrophobicContact CG1-CG 4.32Å; V143-K147 WeakPolarHBondContact O-CE 3.45Å; V143-K147 WeakPolarHBondContact O-CG 3.38Å; E144-K147 WeakPolarHBondContact O-CA 3.31Å; E144-K147 WeakPolarHBondContact O-CB 3.24Å; E144-K147 PolarHBondContact O-N 3.29Å; E144-K147 IonicContact OE1-NZ 2.66Å; E144-K147 PolarHBondContact OE1-NZ 3.4Å; E144-K147 WeakPolarHBondContact OE2-CD 3.24Å; E144-K147 WeakPolarHBondContact OE2-CE 3.24Å; E144-K147 IonicContact OE2-NZ 3.96Å; E144-K147 PolarHBondContact OE2-NZ 3.41Å; K145-K147 VanDerWaalsContact C-N 3.29Å; K145-K147 PolarHBondContact O-N 3.14Å; K147-I150 WeakPolarHBondContact O-CB 3.13Å; K147-I150 PolarHBondContact O-N 3.18Å; K147-I151 VanDerWaalsContact O-CG1 3.31Å; K147-I151 WeakPolarHBondContact O-CG1 3.4Å; K147-I151 PolarHBondContact O-N 3.42Å |
| 148 | E | 90.9 | Very high | 83.3 | Confident | 112 Ų | 112 | 76.9 Ų | 76.9 | 52% | 0.523 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.4 | -54.1 | 178.4 | -68.1 | 165 | 170.6 | 0 | 0 | 110.5 | E144 K145 I150 I151 E152 | E144-E148 PolarHBondContact O-N 3.35Å; K145-E148 WeakPolarHBondContact CA-OE2 3.47Å; K145-E148 PolarHBondContact O-N 3.41Å; E148-I150 PolarHBondContact O-N 3.38Å; E148-I151 WeakPolarHBondContact O-CB 3.38Å; E148-I151 PolarHBondContact O-N 3.04Å; E148-E152 WeakPolarHBondContact O-CG 3.44Å; E148-E152 PolarHBondContact O-N 2.97Å |
| 149 | V | 91.3 | Very high | 81.4 | Confident | 26 Ų | 26 | 72.2 Ų | 72.2 | 16% | 0.158 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.8 | -36 | 175.6 | 174.2 | 0 | 0 | 0 | 0 | 112.5 | E125 V126 A129 K145 S153 | E125-V149 HydrophobicContact CB-CG1 3.77Å; V126-V149 HydrophobicContact CG2-CG1 4.39Å; A129-V149 HydrophobicContact CB-CB 4.5Å; A129-V149 HydrophobicContact CB-CG1 4.47Å; K145-V149 WeakPolarHBondContact O-CG2 3.48Å; K145-V149 PolarHBondContact O-N 2.78Å; K145-V149 VanDerWaalsContact O-N 3.17Å; V149-S153 VanDerWaalsContact O-CB 3.24Å; V149-S153 WeakPolarHBondContact O-CB 3.43Å; V149-S153 PolarHBondContact O-N 2.84Å |
| 150 | I | 90.8 | Very high | 79.3 | Confident | 7 Ų | 7 | 78.9 Ų | 78.9 | 4% | 0.036 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.2 | -38.6 | 175.7 | -78.1 | 176.4 | 0 | 0 | 0 | 111.8 | L88 L91 V92 V126 A146 K147 E148 L154 | L88-I150 HydrophobicContact CD1-CD1 4.28Å; L88-I150 HydrophobicContact CD1-CG1 3.92Å; L88-I150 HydrophobicContact CD1-CG2 4.19Å; L88-I150 HydrophobicContact CG-CG2 4.21Å; L88-I150 WeakPolarHBondContact O-CG2 3.47Å; L91-I150 HydrophobicContact CB-CD1 4.22Å; V92-I150 HydrophobicContact CG2-CD1 3.72Å; V126-I150 HydrophobicContact CG1-CD1 4.27Å; V126-I150 HydrophobicContact CG1-CG1 3.93Å; V126-I150 HydrophobicContact CG2-CG1 4.23Å; A146-I150 WeakPolarHBondContact O-CD1 3.39Å; A146-I150 VanDerWaalsContact O-CG1 3.27Å; A146-I150 WeakPolarHBondContact O-CG1 3.43Å; K147-I150 WeakPolarHBondContact O-CB 3.13Å; K147-I150 PolarHBondContact O-N 3.18Å; E148-I150 PolarHBondContact O-N 3.38Å; I150-L154 HydrophobicContact CG2-CD1 3.85Å; I150-L154 WeakPolarHBondContact O-CB 3.36Å; I150-L154 VanDerWaalsContact O-CD1 3.3Å; I150-L154 WeakPolarHBondContact O-CD1 3.31Å; I150-L154 WeakPolarHBondContact O-CG 3.3Å; I150-L154 PolarHBondContact O-N 2.86Å |
| 151 | I | 89.8 | Confident | 77 | Confident | 95 Ų | 95 | 81.8 Ų | 81.8 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 177.1 | -68.8 | 162.1 | 0 | 0 | 0 | 110.1 | K147 E148 L154 N155 | K147-I151 VanDerWaalsContact O-CG1 3.31Å; K147-I151 WeakPolarHBondContact O-CG1 3.4Å; K147-I151 PolarHBondContact O-N 3.42Å; E148-I151 WeakPolarHBondContact O-CB 3.38Å; E148-I151 PolarHBondContact O-N 3.04Å; I151-L154 PolarHBondContact O-N 3.34Å; I151-N155 PolarHBondContact O-N 3.33Å; I151-N155 PolarHBondContact O-ND2 3.42Å |
| 152 | E | 88.4 | Confident | 74.4 | Confident | 112 Ų | 112 | 83 Ų | 83 | 52% | 0.523 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.5 | -49.9 | 174.6 | -67.5 | 169 | 169.2 | 0 | 0 | 111.5 | E148 L154 N155 N156 | E148-E152 WeakPolarHBondContact O-CG 3.44Å; E148-E152 PolarHBondContact O-N 2.97Å; E152-L154 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 2.67Å; E152-N155 PolarHBondContact O-N 2.8Å; E152-N155 VanDerWaalsContact O-N 3.12Å; E152-N156 PolarHBondContact O-N 3.27Å |
| 153 | S | 86.3 | Confident | 71.9 | Confident | 14 Ų | 14 | 88.6 Ų | 88.6 | 10% | 0.098 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -57.1 | -39.9 | 177.3 | -174.8 | 0 | 0 | 0 | 0 | 112.9 | V149 S157 | V149-S153 VanDerWaalsContact O-CB 3.24Å; V149-S153 WeakPolarHBondContact O-CB 3.43Å; V149-S153 PolarHBondContact O-N 2.84Å; S153-S157 WeakPolarHBondContact O-CB 3.42Å; S153-S157 PolarHBondContact O-N 3.28Å; S153-S157 VanDerWaalsContact O-N 3.08Å; S153-S157 PolarHBondContact O-OG 3.28Å |
| 154 | L | 86.8 | Confident | 69 | Low | 20 Ų | 20 | 93.9 Ų | 93.9 | 11% | 0.105 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -70.2 | -34.7 | 176.7 | -74.5 | 163.4 | 0 | 0 | 0 | 113.3 | L88 R89 I150 I151 E152 S158 | L88-L154 HydrophobicContact CB-CD2 4.4Å; L88-L154 HydrophobicContact CD2-CD2 3.79Å; L88-L154 HydrophobicContact CD2-CG 3.98Å; L88-L154 HydrophobicContact CG-CD2 4.1Å; L88-L154 HydrophobicContact CG-CG 4.17Å; R89-L154 HydrophobicContact CB-CD1 4.37Å; R89-L154 HydrophobicContact CG-CD1 3.43Å; R89-L154 VanDerWaalsContact CG-CD1 3.43Å; R89-L154 HydrophobicContact CG-CD2 4.03Å; R89-L154 HydrophobicContact CG-CG 4.41Å; I150-L154 HydrophobicContact CG2-CD1 3.85Å; I150-L154 WeakPolarHBondContact O-CB 3.36Å; I150-L154 VanDerWaalsContact O-CD1 3.3Å; I150-L154 WeakPolarHBondContact O-CD1 3.31Å; I150-L154 WeakPolarHBondContact O-CG 3.3Å; I150-L154 PolarHBondContact O-N 2.86Å; I151-L154 PolarHBondContact O-N 3.34Å; E152-L154 VanDerWaalsContact C-N 3.3Å; E152-L154 PolarHBondContact O-N 2.67Å; L154-S158 PolarHBondContact O-OG 3.5Å |
| 155 | N | 80.4 | Confident | 66.3 | Low | 96 Ų | 96 | 97.5 Ų | 97.5 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.7 | -47.6 | 176.8 | -67.8 | -18.7 | 0 | 0 | 0 | 110.6 | I151 E152 S157 S158 T159 | I151-N155 PolarHBondContact O-N 3.33Å; I151-N155 PolarHBondContact O-ND2 3.42Å; E152-N155 PolarHBondContact O-N 2.8Å; E152-N155 VanDerWaalsContact O-N 3.12Å; N155-S157 VanDerWaalsContact C-N 3.26Å; N155-S157 PolarHBondContact O-N 2.91Å; N155-S158 WeakPolarHBondContact O-CB 3.45Å; N155-S158 PolarHBondContact O-N 3.23Å; N155-T159 PolarHBondContact O-N 3.5Å |
| 156 | N | 69.7 | Low | 63.8 | Low | 112 Ų | 112 | 96.9 Ų | 96.9 | 60% | 0.599 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -30.9 | 178.2 | -66 | -11.7 | 0 | 0 | 0 | 112.5 | E152 S158 T159 | E152-N156 PolarHBondContact O-N 3.27Å; N156-S158 PolarHBondContact O-N 3.15Å; N156-T159 PolarHBondContact O-OG1 3.48Å |
| 157 | S | 58.4 | Low | 61 | Low | 71 Ų | 71 | 102 Ų | 102 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.3 | -15 | 172.1 | -61.6 | 0 | 0 | 0 | 0 | 114 | S153 N155 | S153-S157 WeakPolarHBondContact O-CB 3.42Å; S153-S157 PolarHBondContact O-N 3.28Å; S153-S157 VanDerWaalsContact O-N 3.08Å; S153-S157 PolarHBondContact O-OG 3.28Å; N155-S157 VanDerWaalsContact C-N 3.26Å; N155-S157 PolarHBondContact O-N 2.91Å |
| 158 | S | 47 | Very low | 58.4 | Low | 85 Ų | 85 | 104.4 Ų | 104.4 | 59% | 0.594 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -96 | -29.8 | -176.4 | -56.6 | 0 | 0 | 0 | 0 | 113 | L154 N155 N156 | L154-S158 PolarHBondContact O-OG 3.5Å; N155-S158 WeakPolarHBondContact O-CB 3.45Å; N155-S158 PolarHBondContact O-N 3.23Å; N156-S158 PolarHBondContact O-N 3.15Å |
| 159 | T | 38.9 | Very low | 55.7 | Low | 103 Ų | 103 | 104.6 Ų | 104.6 | 63% | 0.632 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -79.5 | -25.2 | -179.7 | 46 | 0 | 0 | 0 | 0 | 113.7 | N155 N156 K161 | N155-T159 PolarHBondContact O-N 3.5Å; N156-T159 PolarHBondContact O-OG1 3.48Å; T159-K161 PolarHBondContact O-N 2.85Å |
| 160 | K | 41.1 | Very low | 52.9 | Low | 196 Ų | 196 | 108.6 Ų | 108.6 | 85% | 0.852 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 17.8 | -179.8 | -151 | -179.2 | -178.7 | 178.8 | 0 | 114.9 | ||
| 161 | K | 36.3 | Very low | 50 | Low | 148 Ų | 148 | 117.4 Ų | 117.4 | 64% | 0.643 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | 21.8 | -171.5 | -125.3 | 168.2 | -168.3 | 161.9 | 0 | 114.7 | E79 T159 | E79-K161 PolarHBondContact O-NZ 2.99Å; T159-K161 PolarHBondContact O-N 2.85Å |
| 162 | M | 30 | Very low | 47.1 | Very low | 177 Ų | 177 | 116.8 Ų | 116.8 | 87% | 0.872 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -133.3 | 21.5 | -175.1 | -153.6 | 165.4 | -178 | 0 | 0 | 114 | ||
| 163 | I | 35.1 | Very low | 44.3 | Very low | 158 Ų | 158 | 117.5 Ų | 117.5 | 81% | 0.81 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -135.3 | 69.7 | 177.2 | -47.2 | 179.2 | 0 | 0 | 0 | 110 | ||
| 164 | T | 29.3 | Very low | 41.6 | Very low | 133 Ų | 133 | 121.5 Ų | 121.5 | 82% | 0.816 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 174.1 | 96 | 155.6 | 19.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 165 | D | 32 | Very low | 39 | Very low | 164 Ų | 164 | 124.8 Ų | 124.8 | 88% | 0.877 | 71% | 0.71 | S | S | * | * | trans | 174.9 | 147.4 | 145 | -95.5 | -23.2 | 0 | 0 | 0 | 110.8 | ||||
| 166 | S | 36.3 | Very low | 37.2 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 89% | 0.888 | 71% | 0.707 | S | S | * | * | trans | 73.1 | 138.4 | 173.6 | -53.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 167 | S | 31 | Very low | 35.8 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 76% | 0.762 | 69% | 0.692 | S | S | * | * | trans | -108.1 | -173.5 | -177.9 | 54 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 168 | V | 36.4 | Very low | 34.5 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | trans | 89.8 | 107.2 | 175.7 | -171.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 169 | P | 33.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 120.6 Ų | 120.6 | 76% | 0.76 | 69% | 0.687 | S | S | * | * | trans | -97.2 | 147.3 | 168.8 | 36.5 | -30.7 | 0 | 0 | 0 | 112.5 | ||||
| 170 | S | 32.5 | Very low | 33.5 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 76% | 0.762 | 68% | 0.681 | S | S | * | * | trans | -162.8 | 121.8 | 161.2 | -79 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 171 | Q | 31.5 | Very low | 33.1 | Very low | 192 Ų | 192 | 117.8 Ų | 117.8 | 90% | 0.897 | 68% | 0.677 | S | S | * | * | trans | 31.8 | 137.9 | 142.3 | -60.4 | 175.6 | 6.7 | 0 | 0 | 120.6 | ||||
| 172 | A | 29.1 | Very low | 32.7 | Very low | 83 Ų | 83 | 116 Ų | 116 | 69% | 0.686 | 68% | 0.682 | S | S | * | * | cis | -170.4 | 164.7 | -7.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 173 | T | 29.6 | Very low | 32.6 | Very low | 127 Ų | 127 | 113.6 Ų | 113.6 | 78% | 0.779 | 68% | 0.678 | S | S | * | * | trans | 70.3 | 133.4 | 153.5 | -58.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 174 | E | 28.2 | Very low | 32.4 | Very low | 97 Ų | 97 | 110.5 Ų | 110.5 | 45% | 0.453 | 67% | 0.67 | S | S | . | * | cis | -145.9 | -113.3 | -8.5 | -133.8 | -175.3 | 77.3 | 0 | 0 | 115.9 | Q1056 I1057 | E174-Q1056 WeakPolarHBondContact OE1-CA 3.43Å; E174-Q1056 PolarHBondContact OE1-N 2.99Å; E174-I1057 PolarHBondContact OE1-N 2.81Å | ||
| 175 | M | 32.5 | Very low | 32.5 | Very low | 90 Ų | 90 | 113.2 Ų | 113.2 | 44% | 0.443 | 67% | 0.67 | S | S | . | * | trans | -152.6 | 179.2 | -141.7 | -91 | -172.8 | 109.9 | 0 | 0 | 118.2 | Q1056 I1057 N1058 | M175-Q1056 HydrophobicContact CB-CB 4.24Å; M175-Q1056 HydrophobicContact CB-CG 3.86Å; M175-Q1056 HydrophobicContact CE-CB 4.21Å; M175-Q1056 HydrophobicContact CE-CG 3.87Å; M175-Q1056 HydrophobicContact CG-CG 4.34Å; M175-Q1056 HydrophobicContact SD-CB 3.74Å; M175-Q1056 HydrophobicContact SD-CG 3.85Å; M175-I1057 CarbonylContact O-C 3.58Å; M175-N1058 PolarHBondContact O-N 3.01Å | ||
| 176 | P | 42.4 | Very low | 32.5 | Very low | 69 Ų | 69 | 111 Ų | 111 | 45% | 0.448 | 66% | 0.662 | S | S | . | * | trans | -107 | -146.6 | -178.3 | 43.5 | -36.6 | 0 | 0 | 0 | 112.8 | N1058 | P176-N1058 WeakPolarHBondContact O-CA 3.36Å; P176-N1058 WeakPolarHBondContact O-CB 3.49Å; P176-N1058 PolarHBondContact O-N 2.81Å; P176-N1058 PolarHBondContact O-OD1 2.71Å | ||
| 177 | P | 41.1 | Very low | 32.4 | Very low | 45 Ų | 45 | 111 Ų | 111 | 29% | 0.292 | 65% | 0.652 | S | S | . | * | cis | -142.3 | -161.9 | -9.7 | 38.2 | -13.4 | 0 | 0 | 0 | 117.5 | Q1056 N1058 K1060 | P177-Q1056 VanDerWaalsContact CD-OE1 3.27Å; P177-N1058 WeakPolarHBondContact CA-OD1 3.3Å; P177-N1058 VanDerWaalsContact N-CG 3.26Å; P177-N1058 PolarHBondContact O-ND2 2.91Å; P177-N1058 PolarHBondContact O-OD1 3.13Å; P177-N1058 VanDerWaalsContact O-OD1 3.13Å; P177-K1060 WeakPolarHBondContact O-CE 3.44Å | ||
| 178 | T | 31.6 | Very low | 32.3 | Very low | 77 Ų | 77 | 112.4 Ų | 112.4 | 47% | 0.472 | 65% | 0.652 | S | S | . | * | trans | 78.4 | 151.2 | 142.7 | -70.2 | 0 | 0 | 0 | 0 | 122.3 | K1060 | T178-K1060 WeakPolarHBondContact O-CE 3.31Å; T178-K1060 PolarHBondContact O-NZ 3.05Å | ||
| 179 | V | 32.5 | Very low | 32 | Very low | 85 Ų | 85 | 110.5 Ų | 110.5 | 52% | 0.515 | 65% | 0.649 | S | S | . | * | -157.1 | 159.3 | -53.6 | -69 | 0 | 0 | 0 | 0 | 109.7 | P1132 A1133 | V179-P1132 WeakPolarHBondContact O-CA 3.39Å; V179-P1132 VanDerWaalsContact O-CB 3.24Å; V179-P1132 WeakPolarHBondContact O-CB 3.13Å; V179-A1133 PolarHBondContact O-N 2.95Å; V179-A1133 VanDerWaalsContact O-N 3.1Å | |||
| 180 | N | 31 | Very low | 31.7 | Very low | 92 Ų | 92 | 111.6 Ų | 111.6 | 49% | 0.492 | 65% | 0.653 | S | S | . | * | trans | 170.8 | 174.9 | 145.2 | -98 | 4.4 | 0 | 0 | 0 | 115 | A1133 | N180-A1133 PolarHBondContact ND2-N 2.81Å; N180-A1133 VanDerWaalsContact ND2-N 3.14Å; N180-A1133 PolarHBondContact ND2-O 3.07Å | ||
| 181 | N | 32.5 | Very low | 31.6 | Very low | 147 Ų | 147 | 112 Ų | 112 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | -159.9 | -173.1 | -94.1 | -160.3 | 3.2 | 0 | 0 | 0 | 112.4 | |||||
| 182 | C | 27.8 | Very low | 31.4 | Very low | 111 Ų | 111 | 108 Ų | 108 | 75% | 0.75 | 66% | 0.656 | S | S | * | * | trans | 87.2 | 124.4 | 173 | -135.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 183 | V | 29.5 | Very low | 31.3 | Very low | 127 Ų | 127 | 108.9 Ų | 108.9 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | cis | 83 | 129.1 | 32.5 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 184 | S | 31.1 | Very low | 31.2 | Very low | 92 Ų | 92 | 111.4 Ų | 111.4 | 64% | 0.643 | 66% | 0.66 | S | S | * | * | -169.9 | 160.1 | 60.9 | 77.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 185 | K | 31.1 | Very low | 31.4 | Very low | 190 Ų | 190 | 114.7 Ų | 114.7 | 83% | 0.826 | 68% | 0.679 | S | S | * | * | trans | 57.7 | 148.8 | 146.6 | -70.2 | -175 | 174.5 | -177.6 | 0 | 118.9 | ||||
| 186 | V | 31.3 | Very low | 31.3 | Very low | 117 Ų | 117 | 114.4 Ų | 114.4 | 71% | 0.709 | 69% | 0.691 | S | S | * | * | cis | -161.8 | 175.8 | 1.8 | -102.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 187 | D | 33.7 | Very low | 30.7 | Very low | 127 Ų | 127 | 117 Ų | 117 | 68% | 0.679 | 71% | 0.711 | S | S | * | * | cis | -156.1 | 172.5 | 7.1 | -136.6 | -29.4 | 0 | 0 | 0 | 114.9 | ||||
| 188 | N | 28.6 | Very low | 30 | Very low | 140 Ų | 140 | 122.6 Ų | 122.6 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | 33.8 | 126.3 | 146.8 | -85.4 | -38.6 | 0 | 0 | 0 | 125.9 | ||||
| 189 | A | 30.9 | Very low | 29.7 | Very low | 86 Ų | 86 | 123.7 Ų | 123.7 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | 104.6 | 90.1 | 123.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 190 | V | 28 | Very low | 29.6 | Very low | 140 Ų | 140 | 123.3 Ų | 123.3 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | 51 | 107.5 | 129.6 | -172.1 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 191 | S | 28.4 | Very low | 29.6 | Very low | 118 Ų | 118 | 127 Ų | 127 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | -158.8 | 151.5 | 120.1 | -81.2 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 192 | A | 28.5 | Very low | 29.4 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | trans | -108.3 | 99.4 | -160.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 193 | S | 26.1 | Very low | 29.7 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -161.3 | 155.3 | 159.4 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 194 | E | 28.3 | Very low | 30.5 | Very low | 181 Ų | 181 | 131.3 Ų | 131.3 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | 53.5 | 96.1 | 166.2 | -63.7 | 179.1 | 97.4 | 0 | 0 | 119 | ||||
| 195 | I | 32.8 | Very low | 31.7 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -129.6 | 114.1 | 131.9 | -60.4 | -176.9 | 0 | 0 | 0 | 108.3 | ||||
| 196 | A | 29 | Very low | 32.8 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 69% | 0.694 | 74% | 0.737 | S | S | * | * | trans | -99.3 | 157.4 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 197 | S | 29.8 | Very low | 34.2 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 87% | 0.867 | 74% | 0.736 | S | S | * | * | trans | 68.7 | 68.9 | 166.3 | -49.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 198 | D | 27.1 | Very low | 35.9 | Very low | 162 Ų | 162 | 123 Ų | 123 | 87% | 0.866 | 73% | 0.726 | S | S | * | * | trans | -154.4 | 167.1 | 133.4 | -143.9 | -20.7 | 0 | 0 | 0 | 112 | ||||
| 199 | C | 26 | Very low | 37.6 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | trans | 93.1 | 87.1 | -177.7 | -161.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 200 | A | 30.5 | Very low | 39.5 | Very low | 77 Ų | 77 | 116.5 Ų | 116.5 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | trans | -88.3 | 150.5 | 138.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 201 | Q | 31 | Very low | 41.7 | Very low | 169 Ų | 169 | 115.4 Ų | 115.4 | 79% | 0.79 | 67% | 0.666 | S | S | * | * | trans | 57 | 89.9 | 174.4 | -68.1 | 129.4 | -80 | 0 | 0 | 118 | ||||
| 202 | R | 28.8 | Very low | 43.7 | Very low | 227 Ų | 227 | 115 Ų | 115 | 86% | 0.857 | 65% | 0.651 | S | S | * | * | -160.4 | 149.5 | 122.9 | -113.6 | 163.1 | -71.8 | 178 | -1 | 113.3 | |||||
| 203 | N | 32.6 | Very low | 45.5 | Very low | 157 Ų | 157 | 111.1 Ų | 111.1 | 84% | 0.84 | 62% | 0.615 | S | S | * | * | trans | -27.4 | 120.7 | -171.2 | -55.6 | 3 | 0 | 0 | 0 | 116.6 | S205 | N203-S205 PolarHBondContact O-N 3.25Š| ||
| 204 | T | 46.7 | Very low | 47.7 | Very low | 92 Ų | 92 | 110.9 Ų | 110.9 | 56% | 0.564 | 60% | 0.603 | S | S | * | * | trans | -69.4 | 111.7 | 167.2 | 56.3 | 0 | 0 | 0 | 0 | 109.9 | Q209 | T204-Q209 PolarHBondContact OG1-NE2 2.88Š| ||
| 205 | S | 56.1 | Low | 50 | Low | 70 Ų | 70 | 105.2 Ų | 105.2 | 49% | 0.49 | 59% | 0.587 | S | S | . | * | trans | -56.6 | 141.9 | 170.7 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | N203 K207 V208 Q209 | N203-S205 PolarHBondContact O-N 3.25Å; S205-K207 PolarHBondContact O-N 2.96Å; S205-K207 PolarHBondContact OG-N 3.05Å; S205-V208 WeakPolarHBondContact O-CB 3.33Å; S205-V208 PolarHBondContact O-N 3.45Å; S205-Q209 PolarHBondContact O-N 3.01Å | ||
| 206 | A | 54.8 | Low | 51.7 | Low | 47 Ų | 47 | 98.1 Ų | 98.1 | 39% | 0.388 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -54.4 | -27.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V208 Q209 L210 L259 | A206-V208 VanDerWaalsContact C-N 3.31Å; A206-V208 PolarHBondContact O-N 2.89Å; A206-Q209 PolarHBondContact O-N 3.5Å; A206-L210 WeakPolarHBondContact O-CB 3.3Å; A206-L210 PolarHBondContact O-N 3.39Å; A206-L259 HydrophobicContact CB-CD2 3.97Å |
| 207 | K | 61.2 | Low | 53.6 | Low | 157 Ų | 157 | 96.8 Ų | 96.8 | 68% | 0.683 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.9 | -35.6 | 171.1 | -78.7 | -174.6 | 174.9 | 178.4 | 0 | 113.3 | S205 L211 | S205-K207 PolarHBondContact O-N 2.96Å; S205-K207 PolarHBondContact OG-N 3.05Å; K207-L211 WeakPolarHBondContact O-CB 3.47Å; K207-L211 PolarHBondContact O-N 2.99Å |
| 208 | V | 69.2 | Low | 55.8 | Low | 79 Ų | 79 | 97.3 Ų | 97.3 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72 | -42.1 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | S205 A206 L211 Q212 | S205-V208 WeakPolarHBondContact O-CB 3.33Å; S205-V208 PolarHBondContact O-N 3.45Å; A206-V208 VanDerWaalsContact C-N 3.31Å; A206-V208 PolarHBondContact O-N 2.89Å; V208-L211 PolarHBondContact O-N 2.86Å; V208-Q212 WeakPolarHBondContact O-CB 3.11Å; V208-Q212 PolarHBondContact O-N 3.46Å |
| 209 | Q | 63.5 | Low | 57.9 | Low | 60 Ų | 60 | 94.4 Ų | 94.4 | 28% | 0.28 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 175.2 | -62.7 | -174.7 | 3.9 | 0 | 0 | 111.5 | T204 S205 A206 Q212 L213 I271 | T204-Q209 PolarHBondContact OG1-NE2 2.88Å; S205-Q209 PolarHBondContact O-N 3.01Å; A206-Q209 PolarHBondContact O-N 3.5Å; Q209-Q212 PolarHBondContact O-N 2.62Å; Q209-L213 WeakPolarHBondContact O-CG 3.23Å; Q209-L213 PolarHBondContact O-N 2.93Å; Q209-I271 HydrophobicContact CB-CD1 4.18Å |
| 210 | L | 70.3 | Confident | 59.8 | Low | 28 Ų | 28 | 90.2 Ų | 90.2 | 15% | 0.147 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 173.3 | -176.9 | 67.1 | 0 | 0 | 0 | 112.2 | A206 Q212 L213 Q214 T256 L259 | A206-L210 WeakPolarHBondContact O-CB 3.3Å; A206-L210 PolarHBondContact O-N 3.39Å; L210-Q212 VanDerWaalsContact C-N 3.3Å; L210-Q212 PolarHBondContact O-N 3.41Å; L210-L213 PolarHBondContact O-N 2.89Å; L210-Q214 WeakPolarHBondContact O-CG 3.49Å; L210-Q214 PolarHBondContact O-N 3.46Å; L210-T256 HydrophobicContact CD1-CG2 3.75Å; L210-T256 HydrophobicContact CD2-CG2 4.03Å; L210-L259 HydrophobicContact CB-CD1 4.5Å; L210-L259 HydrophobicContact CD2-CD1 3.89Å |
| 211 | L | 75.4 | Confident | 61.6 | Low | 117 Ų | 117 | 88.7 Ų | 88.7 | 61% | 0.613 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.2 | -39 | 175.9 | -121.3 | 160.7 | 0 | 0 | 0 | 111.8 | K207 V208 Q214 A215 | K207-L211 WeakPolarHBondContact O-CB 3.47Å; K207-L211 PolarHBondContact O-N 2.99Å; V208-L211 PolarHBondContact O-N 2.86Å; L211-Q214 PolarHBondContact O-N 3.01Å; L211-A215 WeakPolarHBondContact O-CB 3.4Å; L211-A215 PolarHBondContact O-N 3.26Å |
| 212 | Q | 70.8 | Confident | 63.5 | Low | 111 Ų | 111 | 85.4 Ų | 85.4 | 52% | 0.519 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70 | -38.5 | 176.5 | -168.2 | 167.4 | 3.3 | 0 | 0 | 112.1 | V208 Q209 L210 A215 L216 | V208-Q212 WeakPolarHBondContact O-CB 3.11Å; V208-Q212 PolarHBondContact O-N 3.46Å; Q209-Q212 PolarHBondContact O-N 2.62Å; L210-Q212 VanDerWaalsContact C-N 3.3Å; L210-Q212 PolarHBondContact O-N 3.41Å; Q212-A215 PolarHBondContact O-N 3.33Å; Q212-L216 WeakPolarHBondContact O-CG 3.38Å; Q212-L216 PolarHBondContact O-N 3.3Å |
| 213 | L | 66.6 | Low | 65 | Low | 27 Ų | 27 | 75.7 Ų | 75.7 | 14% | 0.141 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 171 | -75.5 | 172.2 | 0 | 0 | 0 | 111.8 | Q209 L210 A215 L216 Q217 I271 | Q209-L213 WeakPolarHBondContact O-CG 3.23Å; Q209-L213 PolarHBondContact O-N 2.93Å; L210-L213 PolarHBondContact O-N 2.89Å; L213-A215 PolarHBondContact O-N 3.11Å; L213-L216 PolarHBondContact O-N 2.73Å; L213-Q217 WeakPolarHBondContact O-CB 3.5Å; L213-Q217 PolarHBondContact O-N 2.78Å; L213-I271 HydrophobicContact CD1-CD1 3.91Å; L213-I271 HydrophobicContact CD2-CD1 4.45Å; L213-I271 HydrophobicContact CG-CD1 4.23Å |
| 214 | Q | 71.7 | Confident | 66.4 | Low | 95 Ų | 95 | 69.4 Ų | 69.4 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 177 | -73.4 | 176.3 | -13.4 | 0 | 0 | 112.1 | L210 L211 Q217 K218 | L210-Q214 WeakPolarHBondContact O-CG 3.49Å; L210-Q214 PolarHBondContact O-N 3.46Å; L211-Q214 PolarHBondContact O-N 3.01Å; Q214-Q217 PolarHBondContact O-N 3.38Å; Q214-K218 PolarHBondContact O-N 3.06Å |
| 215 | A | 76.2 | Confident | 67.3 | Low | 61 Ų | 61 | 68.1 Ų | 68.1 | 50% | 0.504 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L211 Q212 L213 K219 | L211-A215 WeakPolarHBondContact O-CB 3.4Å; L211-A215 PolarHBondContact O-N 3.26Å; Q212-A215 PolarHBondContact O-N 3.33Å; L213-A215 PolarHBondContact O-N 3.11Å; A215-K219 WeakPolarHBondContact O-CB 3.42Å; A215-K219 PolarHBondContact O-N 3.36Å; A215-K219 VanDerWaalsContact O-N 3.08Å |
| 216 | L | 69.2 | Low | 67.5 | Low | 18 Ų | 18 | 69 Ų | 69 | 9% | 0.094 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 173.4 | -74 | 166.8 | 0 | 0 | 0 | 111.7 | Q212 L213 K218 K219 I220 L276 I279 V283 | Q212-L216 WeakPolarHBondContact O-CG 3.38Å; Q212-L216 PolarHBondContact O-N 3.3Å; L213-L216 PolarHBondContact O-N 2.73Å; L216-K218 PolarHBondContact O-N 3.11Å; L216-K219 PolarHBondContact O-N 3.15Å; L216-K219 VanDerWaalsContact O-N 3.16Å; L216-I220 VanDerWaalsContact O-CG1 3.27Å; L216-I220 WeakPolarHBondContact O-CG1 3.42Å; L216-I220 PolarHBondContact O-N 3.1Å; L216-L276 HydrophobicContact CD1-CD1 4.45Å; L216-I279 HydrophobicContact CD1-CG2 4.49Å; L216-V283 HydrophobicContact CD2-CG2 4.41Å |
| 217 | Q | 68 | Low | 67.6 | Low | 55 Ų | 55 | 67.9 Ų | 67.9 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 179.5 | -165 | 179.5 | 15.6 | 0 | 0 | 111.6 | L213 Q214 I220 A221 M245 T249 | L213-Q217 WeakPolarHBondContact O-CB 3.5Å; L213-Q217 PolarHBondContact O-N 2.78Å; Q214-Q217 PolarHBondContact O-N 3.38Å; Q217-I220 PolarHBondContact O-N 3.38Å; Q217-A221 WeakPolarHBondContact O-CB 3.23Å; Q217-A221 PolarHBondContact O-N 3.03Å; Q217-M245 HydrophobicContact CG-CE 4.47Å; Q217-T249 PolarHBondContact NE2-OG1 3.48Å |
| 218 | K | 76.7 | Confident | 67.5 | Low | 135 Ų | 135 | 64.4 Ų | 64.4 | 59% | 0.587 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.5 | -48.6 | 172 | 176.5 | 172.5 | 171.9 | 173.8 | 0 | 112 | Q214 L216 I220 A221 E222 | Q214-K218 PolarHBondContact O-N 3.06Å; L216-K218 PolarHBondContact O-N 3.11Å; K218-I220 VanDerWaalsContact C-N 3.29Å; K218-I220 PolarHBondContact O-N 2.95Å; K218-A221 PolarHBondContact O-N 2.9Å; K218-E222 WeakPolarHBondContact CE-OE1 3.26Å; K218-E222 HydrophobicContact CG-CG 4.49Å; K218-E222 IonicContact NZ-OE1 3.75Å; K218-E222 WeakPolarHBondContact O-CG 3.5Å; K218-E222 PolarHBondContact O-N 3.32Å |
| 219 | K | 70.8 | Confident | 66.9 | Low | 102 Ų | 102 | 68.3 Ų | 68.3 | 44% | 0.443 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.9 | -35 | -178.3 | -165.3 | 178.3 | -174.8 | -174.7 | 0 | 112.5 | A215 L216 Q223 | A215-K219 WeakPolarHBondContact O-CB 3.42Å; A215-K219 PolarHBondContact O-N 3.36Å; A215-K219 VanDerWaalsContact O-N 3.08Å; L216-K219 PolarHBondContact O-N 3.15Å; L216-K219 VanDerWaalsContact O-N 3.16Å; K219-Q223 WeakPolarHBondContact O-CG 3.48Å; K219-Q223 PolarHBondContact O-N 3.07Å; K219-Q223 VanDerWaalsContact O-N 3.09Å |
| 220 | I | 66.7 | Low | 66.5 | Low | 10 Ų | 10 | 70.2 Ų | 70.2 | 5% | 0.051 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72 | -40.8 | 175.3 | -65.1 | 164.6 | 0 | 0 | 0 | 110.7 | L216 Q217 K218 Q223 S224 M245 L248 V283 | L216-I220 VanDerWaalsContact O-CG1 3.27Å; L216-I220 WeakPolarHBondContact O-CG1 3.42Å; L216-I220 PolarHBondContact O-N 3.1Å; Q217-I220 PolarHBondContact O-N 3.38Å; K218-I220 VanDerWaalsContact C-N 3.29Å; K218-I220 PolarHBondContact O-N 2.95Å; I220-Q223 PolarHBondContact O-N 3.38Å; I220-S224 WeakPolarHBondContact O-CB 3.32Å; I220-S224 PolarHBondContact O-N 3.14Å; I220-S224 PolarHBondContact O-OG 3.25Å; I220-M245 HydrophobicContact CB-CE 4.25Å; I220-M245 HydrophobicContact CG2-CE 3.82Å; I220-M245 HydrophobicContact CG2-CG 3.87Å; I220-M245 HydrophobicContact CG2-SD 3.71Å; I220-L248 HydrophobicContact CD1-CD1 3.55Å; I220-V283 HydrophobicContact CD1-CG2 3.81Å; I220-V283 HydrophobicContact CG1-CG2 3.79Å |
| 221 | A | 66.9 | Low | 65.6 | Low | 45 Ų | 45 | 77.8 Ų | 77.8 | 37% | 0.372 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q217 K218 S224 A225 | Q217-A221 WeakPolarHBondContact O-CB 3.23Å; Q217-A221 PolarHBondContact O-N 3.03Å; K218-A221 PolarHBondContact O-N 2.9Å; A221-S224 PolarHBondContact O-OG 2.98Å; A221-A225 VanDerWaalsContact O-CB 3.25Å; A221-A225 WeakPolarHBondContact O-CB 3.44Å; A221-A225 PolarHBondContact O-N 3.39Å |
| 222 | E | 70.4 | Confident | 64.5 | Low | 100 Ų | 100 | 75.4 Ų | 75.4 | 47% | 0.467 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 173.3 | -72.6 | 172.8 | 173.1 | 0 | 0 | 112 | K218 L226 | K218-E222 WeakPolarHBondContact CE-OE1 3.26Å; K218-E222 HydrophobicContact CG-CG 4.49Å; K218-E222 IonicContact NZ-OE1 3.75Å; K218-E222 WeakPolarHBondContact O-CG 3.5Å; K218-E222 PolarHBondContact O-N 3.32Å; E222-L226 WeakPolarHBondContact O-CG 3.49Å; E222-L226 PolarHBondContact O-N 2.87Å |
| 223 | Q | 60.3 | Low | 64 | Low | 24 Ų | 24 | 72 Ų | 72 | 11% | 0.112 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.9 | -42.8 | 177.4 | -76.2 | -176.4 | -14.2 | 0 | 0 | 112.5 | K219 I220 L227 | K219-Q223 WeakPolarHBondContact O-CG 3.48Å; K219-Q223 PolarHBondContact O-N 3.07Å; K219-Q223 VanDerWaalsContact O-N 3.09Å; I220-Q223 PolarHBondContact O-N 3.38Å; Q223-L227 VanDerWaalsContact O-CB 3.28Å; Q223-L227 WeakPolarHBondContact O-CB 3.5Å; Q223-L227 WeakPolarHBondContact O-CD1 3.26Å; Q223-L227 VanDerWaalsContact O-CG 3.23Å; Q223-L227 WeakPolarHBondContact O-CG 3.25Å; Q223-L227 PolarHBondContact O-N 2.97Å |
| 224 | S | 62.2 | Low | 63.8 | Low | 25 Ų | 25 | 75.2 Ų | 75.2 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 179.9 | 65.1 | 0 | 0 | 0 | 0 | 112.3 | I220 A221 L226 L227 N228 | I220-S224 WeakPolarHBondContact O-CB 3.32Å; I220-S224 PolarHBondContact O-N 3.14Å; I220-S224 PolarHBondContact O-OG 3.25Å; A221-S224 PolarHBondContact O-OG 2.98Å; S224-L226 PolarHBondContact O-N 3.37Å; S224-L227 PolarHBondContact O-N 3.22Å; S224-N228 WeakPolarHBondContact O-CB 3.48Å; S224-N228 PolarHBondContact O-N 2.91Å |
| 225 | A | 65.3 | Low | 63.5 | Low | 64 Ų | 64 | 75.3 Ų | 75.3 | 53% | 0.529 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A221 N228 | A221-A225 VanDerWaalsContact O-CB 3.25Å; A221-A225 WeakPolarHBondContact O-CB 3.44Å; A221-A225 PolarHBondContact O-N 3.39Å; A225-N228 PolarHBondContact O-N 3.05Å |
| 226 | L | 60.3 | Low | 63 | Low | 89 Ų | 89 | 76 Ų | 76 | 47% | 0.466 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 176.7 | -69.1 | 171.9 | 0 | 0 | 0 | 112.2 | E222 S224 N228 Q229 R290 | E222-L226 WeakPolarHBondContact O-CG 3.49Å; E222-L226 PolarHBondContact O-N 2.87Å; S224-L226 PolarHBondContact O-N 3.37Å; L226-N228 VanDerWaalsContact C-N 3.34Å; L226-Q229 PolarHBondContact O-N 3.05Å; L226-R290 VanDerWaalsContact CD1-NH1 3.28Å |
| 227 | L | 57.9 | Low | 62.8 | Low | 24 Ų | 24 | 78.1 Ų | 78.1 | 13% | 0.126 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.4 | -32.8 | 176.4 | -81 | 171.6 | 0 | 0 | 0 | 112.6 | Q223 S224 Q229 I233 L286 | Q223-L227 VanDerWaalsContact O-CB 3.28Å; Q223-L227 WeakPolarHBondContact O-CB 3.5Å; Q223-L227 WeakPolarHBondContact O-CD1 3.26Å; Q223-L227 VanDerWaalsContact O-CG 3.23Å; Q223-L227 WeakPolarHBondContact O-CG 3.25Å; Q223-L227 PolarHBondContact O-N 2.97Å; S224-L227 PolarHBondContact O-N 3.22Å; L227-Q229 VanDerWaalsContact C-N 3.3Å; L227-Q229 PolarHBondContact O-N 2.93Å; L227-I233 HydrophobicContact CB-CD1 3.47Å; L227-I233 VanDerWaalsContact CB-CD1 3.47Å; L227-I233 HydrophobicContact CD2-CD1 3.69Å; L227-I233 HydrophobicContact CG-CD1 4.06Å; L227-I233 WeakPolarHBondContact O-CD1 3.43Å; L227-L286 HydrophobicContact CD1-CD2 4.35Å |
| 228 | N | 59.6 | Low | 62.6 | Low | 83 Ų | 83 | 77.2 Ų | 77.2 | 44% | 0.444 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -74.8 | -15.4 | 180 | -131.6 | -12.1 | 0 | 0 | 0 | 113.9 | S224 A225 L226 | S224-N228 WeakPolarHBondContact O-CB 3.48Å; S224-N228 PolarHBondContact O-N 2.91Å; A225-N228 PolarHBondContact O-N 3.05Å; L226-N228 VanDerWaalsContact C-N 3.34Å |
| 229 | Q | 56.8 | Low | 62.4 | Low | 162 Ų | 162 | 74.2 Ų | 74.2 | 76% | 0.757 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -21.4 | -170 | -167.5 | 166.8 | 77.4 | 0 | 0 | 114.4 | L226 L227 | L226-Q229 PolarHBondContact O-N 3.05Å; L227-Q229 VanDerWaalsContact C-N 3.3Å; L227-Q229 PolarHBondContact O-N 2.93Å |
| 230 | E | 53.8 | Low | 62.3 | Low | 100 Ų | 100 | 73.9 Ų | 73.9 | 47% | 0.467 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -5.8 | -178.1 | -64.7 | -161.3 | 151.2 | 0 | 0 | 115 | T232 Q293 N297 | E230-T232 HydrophobicContact CB-CG2 4.06Å; E230-T232 PolarHBondContact O-N 2.97Å; E230-T232 VanDerWaalsContact O-N 3.08Å; E230-Q293 PolarHBondContact OE2-NE2 3.23Å; E230-N297 PolarHBondContact OE1-ND2 3.01Å; E230-N297 PolarHBondContact OE2-ND2 3.22Å |
| 231 | Q | 51.5 | Low | 62.2 | Low | 186 Ų | 186 | 74.4 Ų | 74.4 | 87% | 0.869 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 55 | 16 | -172 | -62.8 | -172.5 | -15.2 | 0 | 0 | 115.7 | I233 | Q231-I233 VanDerWaalsContact C-N 3.35Å; Q231-I233 PolarHBondContact O-N 3.35Å |
| 232 | T | 53.5 | Low | 62.2 | Low | 67 Ų | 67 | 77.5 Ų | 77.5 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | trans | -90.1 | 11.2 | -176.2 | 57.5 | 0 | 0 | 0 | 0 | 114.9 | E230 Q293 | E230-T232 HydrophobicContact CB-CG2 4.06Å; E230-T232 PolarHBondContact O-N 2.97Å; E230-T232 VanDerWaalsContact O-N 3.08Å; T232-Q293 PolarHBondContact OG1-NE2 3.15Å | ||
| 233 | I | 59.5 | Low | 62.4 | Low | 40 Ų | 40 | 78 Ų | 78 | 21% | 0.205 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -112.8 | 136.2 | -171.6 | -58.9 | -179.6 | 0 | 0 | 0 | 109.9 | L227 Q231 V237 L238 | L227-I233 HydrophobicContact CB-CD1 3.47Å; L227-I233 VanDerWaalsContact CB-CD1 3.47Å; L227-I233 HydrophobicContact CD2-CD1 3.69Å; L227-I233 HydrophobicContact CG-CD1 4.06Å; L227-I233 WeakPolarHBondContact O-CD1 3.43Å; Q231-I233 VanDerWaalsContact C-N 3.35Å; Q231-I233 PolarHBondContact O-N 3.35Å; I233-V237 HydrophobicContact CG2-CB 4.07Å; I233-V237 HydrophobicContact CG2-CG1 4.04Å; I233-L238 HydrophobicContact CB-CD1 4.36Å; I233-L238 HydrophobicContact CG2-CD1 4.34Å; I233-L238 HydrophobicContact CG2-CG 4.13Å |
| 234 | D | 62.7 | Low | 62.5 | Low | 94 Ų | 94 | 79.9 Ų | 79.9 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | trans | -57.6 | 128.8 | 175.9 | -164.6 | -39.7 | 0 | 0 | 0 | 110.7 | E236 V237 L238 | D234-E236 PolarHBondContact O-N 3.15Å; D234-E236 VanDerWaalsContact O-N 3.16Å; D234-E236 WeakPolarHBondContact OD1-CB 3.13Å; D234-E236 PolarHBondContact OD1-N 3.18Å; D234-V237 HydrophobicContact CB-CB 4.29Å; D234-V237 HydrophobicContact CB-CG2 4.03Å; D234-V237 PolarHBondContact O-N 3.15Å; D234-L238 PolarHBondContact O-N 2.73Å | ||
| 235 | P | 65.9 | Low | 62.6 | Low | 98 Ų | 98 | 80.3 Ų | 80.3 | 64% | 0.636 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -54.5 | -30.1 | 174.2 | 22.9 | -34.5 | 0 | 0 | 0 | 113.2 | L238 T239 | P235-L238 PolarHBondContact O-N 3.03Å; P235-T239 PolarHBondContact O-N 3.1Å; P235-T239 PolarHBondContact O-OG1 3.17Å; P235-T239 VanDerWaalsContact O-OG1 3.09Å |
| 236 | E | 64.1 | Low | 62.7 | Low | 74 Ų | 74 | 80.8 Ų | 80.8 | 35% | 0.346 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 173.9 | -168.3 | 92.7 | -127.6 | 0 | 0 | 110.7 | D234 T239 Q240 | D234-E236 PolarHBondContact O-N 3.15Å; D234-E236 VanDerWaalsContact O-N 3.16Å; D234-E236 WeakPolarHBondContact OD1-CB 3.13Å; D234-E236 PolarHBondContact OD1-N 3.18Å; E236-T239 WeakPolarHBondContact CA-OG1 3.17Å; E236-T239 PolarHBondContact O-N 2.9Å; E236-T239 PolarHBondContact O-OG1 2.91Å; E236-Q240 WeakPolarHBondContact O-CG 3.21Å; E236-Q240 PolarHBondContact O-N 2.88Å |
| 237 | V | 66.9 | Low | 63.3 | Low | 64 Ų | 64 | 79.2 Ų | 79.2 | 39% | 0.388 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 178.2 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | I233 D234 Q240 I241 | I233-V237 HydrophobicContact CG2-CB 4.07Å; I233-V237 HydrophobicContact CG2-CG1 4.04Å; D234-V237 HydrophobicContact CB-CB 4.29Å; D234-V237 HydrophobicContact CB-CG2 4.03Å; D234-V237 PolarHBondContact O-N 3.15Å; V237-Q240 PolarHBondContact O-N 3.05Å; V237-I241 HydrophobicContact CG1-CD1 3.96Å; V237-I241 VanDerWaalsContact O-CG1 3.29Å; V237-I241 WeakPolarHBondContact O-CG1 3.42Å; V237-I241 PolarHBondContact O-N 3.27Å |
| 238 | L | 63.7 | Low | 63.6 | Low | 36 Ų | 36 | 79.3 Ų | 79.3 | 19% | 0.188 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 173.6 | -98.7 | 161.3 | 0 | 0 | 0 | 112.3 | I233 D234 P235 I241 H242 | I233-L238 HydrophobicContact CB-CD1 4.36Å; I233-L238 HydrophobicContact CG2-CD1 4.34Å; I233-L238 HydrophobicContact CG2-CG 4.13Å; D234-L238 PolarHBondContact O-N 2.73Å; P235-L238 PolarHBondContact O-N 3.03Å; L238-I241 PolarHBondContact O-N 3.07Å; L238-H242 PolarHBondContact O-N 3.16Å |
| 239 | T | 72.7 | Confident | 64.1 | Low | 71 Ų | 71 | 77.4 Ų | 77.4 | 44% | 0.436 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 174.7 | 47.8 | 0 | 0 | 0 | 0 | 112.8 | P235 E236 H242 I243 | P235-T239 PolarHBondContact O-N 3.1Å; P235-T239 PolarHBondContact O-OG1 3.17Å; P235-T239 VanDerWaalsContact O-OG1 3.09Å; E236-T239 WeakPolarHBondContact CA-OG1 3.17Å; E236-T239 PolarHBondContact O-N 2.9Å; E236-T239 PolarHBondContact O-OG1 2.91Å; T239-H242 PolarHBondContact O-N 3.21Å; T239-I243 VanDerWaalsContact O-CG1 3.27Å; T239-I243 WeakPolarHBondContact O-CG1 3.43Å; T239-I243 PolarHBondContact O-N 2.95Å |
| 240 | Q | 66.9 | Low | 65 | Low | 96 Ų | 96 | 76.2 Ų | 76.2 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 173.5 | -69.7 | 174 | 30.6 | 0 | 0 | 111.3 | E236 V237 H242 I243 L244 | E236-Q240 WeakPolarHBondContact O-CG 3.21Å; E236-Q240 PolarHBondContact O-N 2.88Å; V237-Q240 PolarHBondContact O-N 3.05Å; Q240-H242 PolarHBondContact O-N 3.44Å; Q240-I243 PolarHBondContact O-N 2.68Å; Q240-L244 WeakPolarHBondContact O-CB 3.4Å; Q240-L244 VanDerWaalsContact O-CD1 3.3Å; Q240-L244 WeakPolarHBondContact O-CD1 3.45Å; Q240-L244 VanDerWaalsContact O-CG 3.29Å; Q240-L244 WeakPolarHBondContact O-CG 3.46Å; Q240-L244 PolarHBondContact O-N 3.29Å |
| 241 | I | 65.6 | Low | 65.5 | Low | 20 Ų | 20 | 76.3 Ų | 76.3 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 174 | -69.8 | 165.7 | 0 | 0 | 0 | 111 | V237 L238 L244 M245 L286 | V237-I241 HydrophobicContact CG1-CD1 3.96Å; V237-I241 VanDerWaalsContact O-CG1 3.29Å; V237-I241 WeakPolarHBondContact O-CG1 3.42Å; V237-I241 PolarHBondContact O-N 3.27Å; L238-I241 PolarHBondContact O-N 3.07Å; I241-L244 PolarHBondContact O-N 3.16Å; I241-M245 HydrophobicContact CG2-CG 4.38Å; I241-M245 WeakPolarHBondContact O-CB 3.38Å; I241-M245 VanDerWaalsContact O-CG 3.32Å; I241-M245 WeakPolarHBondContact O-CG 3.36Å; I241-M245 PolarHBondContact O-N 3.27Å; I241-L286 HydrophobicContact CD1-CD2 3.82Å; I241-L286 HydrophobicContact CG1-CD2 4.2Å |
| 242 | H | 65.6 | Low | 66.1 | Low | 111 Ų | 111 | 68 Ų | 68 | 51% | 0.514 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 177.4 | -79.3 | -169.4 | 0 | 0 | 0 | 113.1 | L238 T239 Q240 L244 M245 S246 | L238-H242 PolarHBondContact O-N 3.16Å; T239-H242 PolarHBondContact O-N 3.21Å; Q240-H242 PolarHBondContact O-N 3.44Å; H242-L244 VanDerWaalsContact C-N 3.33Å; H242-L244 PolarHBondContact O-N 3.05Å; H242-M245 PolarHBondContact O-N 3.3Å; H242-S246 WeakPolarHBondContact O-CB 3.35Å; H242-S246 PolarHBondContact O-N 3.35Å |
| 243 | I | 74.6 | Confident | 66.9 | Low | 109 Ų | 109 | 70 Ų | 70 | 56% | 0.559 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.5 | -47.2 | 175.7 | -70.2 | 163 | 0 | 0 | 0 | 109.9 | T239 Q240 S246 E247 | T239-I243 VanDerWaalsContact O-CG1 3.27Å; T239-I243 WeakPolarHBondContact O-CG1 3.43Å; T239-I243 PolarHBondContact O-N 2.95Å; Q240-I243 PolarHBondContact O-N 2.68Å; I243-S246 PolarHBondContact O-N 2.96Å; I243-S246 PolarHBondContact O-OG 3.38Å; I243-E247 PolarHBondContact O-N 3.27Å |
| 244 | L | 63.8 | Low | 67.3 | Low | 65 Ų | 65 | 70.3 Ų | 70.3 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70 | -34.7 | -178.1 | -69 | 159.8 | 0 | 0 | 0 | 112.5 | Q240 I241 H242 L248 M282 | Q240-L244 WeakPolarHBondContact O-CB 3.4Å; Q240-L244 VanDerWaalsContact O-CD1 3.3Å; Q240-L244 WeakPolarHBondContact O-CD1 3.45Å; Q240-L244 VanDerWaalsContact O-CG 3.29Å; Q240-L244 WeakPolarHBondContact O-CG 3.46Å; Q240-L244 PolarHBondContact O-N 3.29Å; I241-L244 PolarHBondContact O-N 3.16Å; H242-L244 VanDerWaalsContact C-N 3.33Å; H242-L244 PolarHBondContact O-N 3.05Å; L244-L248 WeakPolarHBondContact O-CB 3.38Å; L244-L248 WeakPolarHBondContact O-CG 3.37Å; L244-L248 PolarHBondContact O-N 3.07Å; L244-L248 VanDerWaalsContact O-N 3.09Å; L244-M282 HydrophobicContact CB-SD 4.13Å; L244-M282 HydrophobicContact CD1-CE 3.73Å; L244-M282 HydrophobicContact CD1-SD 3.7Å; L244-M282 HydrophobicContact CD2-CE 3.88Å; L244-M282 HydrophobicContact CD2-SD 4.25Å; L244-M282 HydrophobicContact CG-CE 4.33Å; L244-M282 HydrophobicContact CG-SD 4.23Å |
| 245 | M | 64.1 | Low | 67.1 | Low | 34 Ų | 34 | 66.5 Ų | 66.5 | 17% | 0.167 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63 | -42 | 167.9 | -76.7 | -132.4 | 70.6 | 0 | 0 | 112.5 | Q217 I220 I241 H242 E247 L248 T249 | Q217-M245 HydrophobicContact CG-CE 4.47Å; I220-M245 HydrophobicContact CB-CE 4.25Å; I220-M245 HydrophobicContact CG2-CE 3.82Å; I220-M245 HydrophobicContact CG2-CG 3.87Å; I220-M245 HydrophobicContact CG2-SD 3.71Å; I241-M245 HydrophobicContact CG2-CG 4.38Å; I241-M245 WeakPolarHBondContact O-CB 3.38Å; I241-M245 VanDerWaalsContact O-CG 3.32Å; I241-M245 WeakPolarHBondContact O-CG 3.36Å; I241-M245 PolarHBondContact O-N 3.27Å; H242-M245 PolarHBondContact O-N 3.3Å; M245-E247 PolarHBondContact O-N 2.76Å; M245-L248 WeakPolarHBondContact O-CB 3.44Å; M245-L248 PolarHBondContact O-N 3.28Å; M245-T249 PolarHBondContact O-N 2.71Å; M245-T249 PolarHBondContact O-OG1 3.28Å; M245-T249 VanDerWaalsContact O-OG1 3.14Å |
| 246 | S | 67.7 | Low | 67 | Low | 74 Ų | 74 | 64.7 Ų | 64.7 | 52% | 0.517 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 179.5 | 76.4 | 0 | 0 | 0 | 0 | 112.4 | H242 I243 T249 R250 | H242-S246 WeakPolarHBondContact O-CB 3.35Å; H242-S246 PolarHBondContact O-N 3.35Å; I243-S246 PolarHBondContact O-N 2.96Å; I243-S246 PolarHBondContact O-OG 3.38Å; S246-T249 PolarHBondContact O-N 3.19Å; S246-R250 WeakPolarHBondContact O-CB 3.31Å; S246-R250 PolarHBondContact O-N 2.67Å |
| 247 | E | 72.3 | Confident | 67.2 | Low | 56 Ų | 56 | 65.3 Ų | 65.3 | 26% | 0.262 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71.4 | -33.3 | 177.1 | 177.6 | 63.5 | -179.2 | 0 | 0 | 112.2 | I243 M245 R250 R251 | I243-E247 PolarHBondContact O-N 3.27Å; M245-E247 PolarHBondContact O-N 2.76Å; E247-R250 VanDerWaalsContact CD-NH2 3.26Å; E247-R250 IonicContact OE1-CZ 3.92Å; E247-R250 IonicContact OE1-NH2 2.88Å; E247-R250 PolarHBondContact OE1-NH2 3.28Å; E247-R250 IonicContact OE2-CZ 3.2Å; E247-R250 IonicContact OE2-NE 2.75Å; E247-R250 PolarHBondContact OE2-NE 2.86Å; E247-R250 IonicContact OE2-NH2 2.82Å; E247-R250 PolarHBondContact OE2-NH2 3.45Å; E247-R251 WeakPolarHBondContact O-CG 3.46Å; E247-R251 PolarHBondContact O-N 2.74Å; E247-R251 VanDerWaalsContact O-N 3.15Å; E247-R251 IonicContact OE1-CZ 3.16Å; E247-R251 IonicContact OE1-NE 2.76Å; E247-R251 PolarHBondContact OE1-NE 2.83Å; E247-R251 IonicContact OE1-NH2 2.71Å; E247-R251 PolarHBondContact OE1-NH2 2.9Å |
| 248 | L | 63.3 | Low | 66.8 | Low | 25 Ų | 25 | 66.8 Ų | 66.8 | 13% | 0.131 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.7 | -49.5 | 170 | -82.8 | 165.8 | 0 | 0 | 0 | 111.7 | I220 L244 M245 R251 A252 I279 | I220-L248 HydrophobicContact CD1-CD1 3.55Å; L244-L248 WeakPolarHBondContact O-CB 3.38Å; L244-L248 WeakPolarHBondContact O-CG 3.37Å; L244-L248 PolarHBondContact O-N 3.07Å; L244-L248 VanDerWaalsContact O-N 3.09Å; M245-L248 WeakPolarHBondContact O-CB 3.44Å; M245-L248 PolarHBondContact O-N 3.28Å; L248-R251 PolarHBondContact O-N 2.89Å; L248-A252 PolarHBondContact O-N 3.39Å; L248-I279 HydrophobicContact CD2-CD1 3.69Å; L248-I279 HydrophobicContact CD2-CG1 4.07Å; L248-I279 HydrophobicContact CD2-CG2 4.19Å |
| 249 | T | 72 | Confident | 66.6 | Low | 43 Ų | 43 | 69.2 Ų | 69.2 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 177.4 | -62.8 | 0 | 0 | 0 | 0 | 111 | Q217 M245 S246 R251 A252 E253 | Q217-T249 PolarHBondContact NE2-OG1 3.48Å; M245-T249 PolarHBondContact O-N 2.71Å; M245-T249 PolarHBondContact O-OG1 3.28Å; M245-T249 VanDerWaalsContact O-OG1 3.14Å; S246-T249 PolarHBondContact O-N 3.19Å; T249-R251 VanDerWaalsContact C-N 3.26Å; T249-R251 PolarHBondContact O-N 3.13Å; T249-A252 PolarHBondContact O-N 3.48Å; T249-A252 VanDerWaalsContact O-N 3.1Å; T249-E253 HydrophobicContact CG2-CG 4.35Å; T249-E253 WeakPolarHBondContact CG2-OE1 3.49Å; T249-E253 WeakPolarHBondContact O-CB 3.33Å; T249-E253 WeakPolarHBondContact O-CG 3.36Å; T249-E253 PolarHBondContact O-N 2.7Å |
| 250 | R | 74.7 | Confident | 66 | Low | 138 Ų | 138 | 69.3 Ų | 69.3 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.2 | -35.7 | 177.6 | -168.5 | -177.2 | 72.2 | 87.4 | 0.4 | 113.1 | S246 E247 A254 | S246-R250 WeakPolarHBondContact O-CB 3.31Å; S246-R250 PolarHBondContact O-N 2.67Å; E247-R250 VanDerWaalsContact CD-NH2 3.26Å; E247-R250 IonicContact OE1-CZ 3.92Å; E247-R250 IonicContact OE1-NH2 2.88Å; E247-R250 PolarHBondContact OE1-NH2 3.28Å; E247-R250 IonicContact OE2-CZ 3.2Å; E247-R250 IonicContact OE2-NE 2.75Å; E247-R250 PolarHBondContact OE2-NE 2.86Å; E247-R250 IonicContact OE2-NH2 2.82Å; E247-R250 PolarHBondContact OE2-NH2 3.45Å; R250-A254 WeakPolarHBondContact O-CB 3.41Å; R250-A254 PolarHBondContact O-N 3.24Å; R250-A254 VanDerWaalsContact O-N 3.07Å |
| 251 | R | 65 | Low | 65.4 | Low | 101 Ų | 101 | 69.8 Ų | 69.8 | 38% | 0.381 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -77.9 | -36 | 176.4 | -71.9 | 179.9 | -171.3 | -121.9 | 2.1 | 112.9 | E247 L248 T249 A254 A255 L275 | E247-R251 WeakPolarHBondContact O-CG 3.46Å; E247-R251 PolarHBondContact O-N 2.74Å; E247-R251 VanDerWaalsContact O-N 3.15Å; E247-R251 IonicContact OE1-CZ 3.16Å; E247-R251 IonicContact OE1-NE 2.76Å; E247-R251 PolarHBondContact OE1-NE 2.83Å; E247-R251 IonicContact OE1-NH2 2.71Å; E247-R251 PolarHBondContact OE1-NH2 2.9Å; L248-R251 PolarHBondContact O-N 2.89Å; T249-R251 VanDerWaalsContact C-N 3.26Å; T249-R251 PolarHBondContact O-N 3.13Å; R251-A254 PolarHBondContact O-N 2.96Å; R251-A255 WeakPolarHBondContact O-CB 3.45Å; R251-A255 PolarHBondContact O-N 2.88Å; R251-L275 VanDerWaalsContact NH1-CD2 3.3Å |
| 252 | A | 63.9 | Low | 64.7 | Low | 11 Ų | 11 | 78.2 Ų | 78.2 | 9% | 0.091 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L248 T249 A255 T256 | L248-A252 PolarHBondContact O-N 3.39Å; T249-A252 PolarHBondContact O-N 3.48Å; T249-A252 VanDerWaalsContact O-N 3.1Å; A252-A255 PolarHBondContact O-N 3.16Å; A252-T256 PolarHBondContact O-N 3.11Å; A252-T256 PolarHBondContact O-OG1 3Å |
| 253 | E | 70.1 | Confident | 63.6 | Low | 111 Ų | 111 | 81 Ų | 81 | 52% | 0.519 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.6 | -50.4 | 173.8 | -72.7 | 168.9 | 171.4 | 0 | 0 | 111.2 | T249 A255 T256 V257 | T249-E253 HydrophobicContact CG2-CG 4.35Å; T249-E253 WeakPolarHBondContact CG2-OE1 3.49Å; T249-E253 WeakPolarHBondContact O-CB 3.33Å; T249-E253 WeakPolarHBondContact O-CG 3.36Å; T249-E253 PolarHBondContact O-N 2.7Å; E253-A255 VanDerWaalsContact C-N 3.29Å; E253-A255 PolarHBondContact O-N 2.81Å; E253-T256 WeakPolarHBondContact CA-OG1 3.48Å; E253-T256 PolarHBondContact O-N 2.8Å; E253-T256 PolarHBondContact O-OG1 3.32Å; E253-V257 WeakPolarHBondContact O-CG2 3.34Å; E253-V257 PolarHBondContact O-N 3.02Å |
| 254 | A | 67.4 | Low | 61.6 | Low | 45 Ų | 45 | 80.9 Ų | 80.9 | 37% | 0.372 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.6 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | R250 R251 V257 Q258 | R250-A254 WeakPolarHBondContact O-CB 3.41Å; R250-A254 PolarHBondContact O-N 3.24Å; R250-A254 VanDerWaalsContact O-N 3.07Å; R251-A254 PolarHBondContact O-N 2.96Å; A254-V257 PolarHBondContact O-N 2.76Å; A254-Q258 VanDerWaalsContact O-CG 3.31Å; A254-Q258 WeakPolarHBondContact O-CG 3.39Å; A254-Q258 PolarHBondContact O-N 3.45Å |
| 255 | A | 58.1 | Low | 60.2 | Low | 14 Ų | 14 | 82.2 Ų | 82.2 | 12% | 0.116 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R251 A252 E253 L259 | R251-A255 WeakPolarHBondContact O-CB 3.45Å; R251-A255 PolarHBondContact O-N 2.88Å; A252-A255 PolarHBondContact O-N 3.16Å; E253-A255 VanDerWaalsContact C-N 3.29Å; E253-A255 PolarHBondContact O-N 2.81Å; A255-L259 WeakPolarHBondContact O-CG 3.4Å; A255-L259 PolarHBondContact O-N 3.49Å; A255-L259 VanDerWaalsContact O-N 3.11Å |
| 256 | T | 64.4 | Low | 59.2 | Low | 60 Ų | 60 | 90.1 Ų | 90.1 | 37% | 0.368 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.6 | -35.6 | 174.4 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | L210 A252 E253 L259 A260 | L210-T256 HydrophobicContact CD1-CG2 3.75Å; L210-T256 HydrophobicContact CD2-CG2 4.03Å; A252-T256 PolarHBondContact O-N 3.11Å; A252-T256 PolarHBondContact O-OG1 3Å; E253-T256 WeakPolarHBondContact CA-OG1 3.48Å; E253-T256 PolarHBondContact O-N 2.8Å; E253-T256 PolarHBondContact O-OG1 3.32Å; T256-L259 PolarHBondContact O-N 2.9Å; T256-A260 PolarHBondContact O-N 2.89Å; T256-A260 VanDerWaalsContact O-N 3.13Å |
| 257 | V | 68.6 | Low | 57.8 | Low | 87 Ų | 87 | 93.1 Ų | 93.1 | 53% | 0.527 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 175.1 | 173.5 | 0 | 0 | 0 | 0 | 111 | E253 A254 L259 A260 N261 | E253-V257 WeakPolarHBondContact O-CG2 3.34Å; E253-V257 PolarHBondContact O-N 3.02Å; A254-V257 PolarHBondContact O-N 2.76Å; V257-L259 PolarHBondContact O-N 3.22Å; V257-A260 PolarHBondContact O-N 3Å; V257-A260 VanDerWaalsContact O-N 3.11Å; V257-N261 PolarHBondContact O-N 3.44Å |
| 258 | Q | 58.5 | Low | 56.4 | Low | 96 Ų | 96 | 95.8 Ų | 95.8 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -27.1 | 173.1 | -72.1 | 171.7 | 9 | 0 | 0 | 112.9 | A254 | A254-Q258 VanDerWaalsContact O-CG 3.31Å; A254-Q258 WeakPolarHBondContact O-CG 3.39Å; A254-Q258 PolarHBondContact O-N 3.45Å |
| 259 | L | 58.8 | Low | 55.6 | Low | 87 Ų | 87 | 101.6 Ų | 101.6 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -10.3 | 173.3 | -76.5 | 167 | 0 | 0 | 0 | 114.3 | A206 L210 A255 T256 V257 | A206-L259 HydrophobicContact CB-CD2 3.97Å; L210-L259 HydrophobicContact CB-CD1 4.5Å; L210-L259 HydrophobicContact CD2-CD1 3.89Å; A255-L259 WeakPolarHBondContact O-CG 3.4Å; A255-L259 PolarHBondContact O-N 3.49Å; A255-L259 VanDerWaalsContact O-N 3.11Å; T256-L259 PolarHBondContact O-N 2.9Å; V257-L259 PolarHBondContact O-N 3.22Å |
| 260 | A | 60.4 | Low | 54.7 | Low | 73 Ų | 73 | 102.5 Ų | 102.5 | 60% | 0.603 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -22.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T256 V257 | T256-A260 PolarHBondContact O-N 2.89Å; T256-A260 VanDerWaalsContact O-N 3.13Å; V257-A260 PolarHBondContact O-N 3Å; V257-A260 VanDerWaalsContact O-N 3.11Å |
| 261 | N | 54.1 | Low | 53.8 | Low | 105 Ų | 105 | 97.7 Ų | 97.7 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -92.6 | 113.4 | 173.9 | -68.8 | -15.1 | 0 | 0 | 0 | 109.6 | V257 Q263 | V257-N261 PolarHBondContact O-N 3.44Å; N261-Q263 PolarHBondContact O-N 3.43Å |
| 262 | E | 50.3 | Low | 53.6 | Low | 198 Ų | 198 | 96.7 Ų | 96.7 | 93% | 0.925 | 54% | 0.54 | S | S | * | . | trans | -72.3 | 28.9 | -172.8 | -59.9 | -176.3 | 115.8 | 0 | 0 | 115.3 | A264 | E262-A264 PolarHBondContact O-N 3.16Š| ||
| 263 | Q | 42.3 | Very low | 53.7 | Low | 170 Ų | 170 | 100.8 Ų | 100.8 | 79% | 0.794 | 57% | 0.566 | S | S | * | * | trans | -81.3 | 82.8 | 176.9 | -71.1 | -172.2 | -55.7 | 0 | 0 | 111.3 | N261 S265 | N261-Q263 PolarHBondContact O-N 3.43Å; Q263-S265 PolarHBondContact O-N 3.34Å | ||
| 264 | A | 33.9 | Very low | 53.5 | Low | 105 Ų | 105 | 101.1 Ų | 101.1 | 87% | 0.868 | 57% | 0.571 | S | S | * | * | trans | -73.5 | 109.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E262 | E262-A264 PolarHBondContact O-N 3.16Š| ||
| 265 | S | 35.1 | Very low | 53.4 | Low | 93 Ų | 93 | 100.7 Ų | 100.7 | 65% | 0.65 | 56% | 0.562 | S | S | * | * | trans | -133.7 | 139.5 | 158.4 | 59.2 | 0 | 0 | 0 | 0 | 110 | Q263 D267 | Q263-S265 PolarHBondContact O-N 3.34Å; S265-D267 PolarHBondContact O-N 2.99Å | ||
| 266 | E | 41.5 | Very low | 53.7 | Low | 200 Ų | 200 | 102.9 Ų | 102.9 | 94% | 0.935 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -81.4 | 70.2 | -166.6 | -60.2 | -172.1 | 121.8 | 0 | 0 | 113.5 | ||
| 267 | D | 38 | Very low | 53.9 | Low | 138 Ų | 138 | 102.9 Ų | 102.9 | 74% | 0.738 | 58% | 0.578 | S | S | * | * | trans | -157.9 | 28.2 | 171.5 | -119.9 | -25.4 | 0 | 0 | 0 | 116.2 | S265 N269 | S265-D267 PolarHBondContact O-N 2.99Å; D267-N269 VanDerWaalsContact C-N 3.33Å; D267-N269 PolarHBondContact O-N 3.4Å | ||
| 268 | L | 43.5 | Very low | 54 | Low | 112 Ų | 112 | 107.3 Ų | 107.3 | 59% | 0.586 | 59% | 0.585 | S | S | * | * | trans | -77.4 | 68.1 | -171.3 | -82.7 | 160.9 | 0 | 0 | 0 | 115.1 | V270 | L268-V270 HydrophobicContact CB-CG2 4.11Å; L268-V270 HydrophobicContact CD2-CG2 3.68Å; L268-V270 PolarHBondContact O-N 2.99Å | ||
| 269 | N | 46.9 | Very low | 54.3 | Low | 146 Ų | 146 | 103.6 Ų | 103.6 | 78% | 0.781 | 57% | 0.568 | S | S | * | * | trans | -73.5 | 65.8 | 165.6 | -82.7 | -54.3 | 0 | 0 | 0 | 112 | D267 I271 | D267-N269 VanDerWaalsContact C-N 3.33Å; D267-N269 PolarHBondContact O-N 3.4Å; N269-I271 VanDerWaalsContact C-N 3.32Å; N269-I271 PolarHBondContact O-N 3.48Å | ||
| 270 | V | 53.7 | Low | 54.8 | Low | 63 Ų | 63 | 103 Ų | 103 | 38% | 0.382 | 56% | 0.563 | S | S | . | * | trans | -73.6 | -19.4 | -173.5 | -178.1 | 0 | 0 | 0 | 0 | 113.5 | L268 | L268-V270 HydrophobicContact CB-CG2 4.11Å; L268-V270 HydrophobicContact CD2-CG2 3.68Å; L268-V270 PolarHBondContact O-N 2.99Å | ||
| 271 | I | 54.8 | Low | 55.3 | Low | 36 Ų | 36 | 103 Ų | 103 | 19% | 0.185 | 56% | 0.559 | C | S | . | * | S | Bend | trans | -122.3 | 108.1 | -178.4 | -50.2 | 178 | 0 | 0 | 0 | 110.1 | Q209 L213 N269 L276 | Q209-I271 HydrophobicContact CB-CD1 4.18Å; L213-I271 HydrophobicContact CD1-CD1 3.91Å; L213-I271 HydrophobicContact CD2-CD1 4.45Å; L213-I271 HydrophobicContact CG-CD1 4.23Å; N269-I271 VanDerWaalsContact C-N 3.32Å; N269-I271 PolarHBondContact O-N 3.48Å; I271-L276 HydrophobicContact CG2-CB 3.99Å |
| 272 | D | 61.9 | Low | 55.7 | Low | 81 Ų | 81 | 100.8 Ų | 100.8 | 43% | 0.433 | 55% | 0.545 | S | S | . | . | trans | -57.9 | 125.4 | 167.3 | 166.1 | 19.8 | 0 | 0 | 0 | 109.9 | N274 L275 L276 | D272-N274 PolarHBondContact O-N 3.37Å; D272-N274 WeakPolarHBondContact OD1-CB 3.3Å; D272-N274 PolarHBondContact OD1-N 2.91Å; D272-N274 PolarHBondContact OD1-ND2 3.23Å; D272-L275 HydrophobicContact CB-CB 4.1Å; D272-L275 WeakPolarHBondContact O-CA 3.25Å; D272-L275 VanDerWaalsContact O-CB 3.28Å; D272-L275 WeakPolarHBondContact O-CB 3.45Å; D272-L275 PolarHBondContact O-N 3.29Å; D272-L276 PolarHBondContact O-N 3.32Å; D272-L276 VanDerWaalsContact O-N 3.08Å | ||
| 273 | P | 65.1 | Low | 56.7 | Low | 97 Ų | 97 | 91.5 Ų | 91.5 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60 | -26.4 | 178.7 | 23.6 | -33.8 | 0 | 0 | 0 | 113.2 | L276 A277 | P273-L276 PolarHBondContact O-N 2.67Å; P273-A277 WeakPolarHBondContact O-CB 3.05Å; P273-A277 PolarHBondContact O-N 3.01Å |
| 274 | N | 66.6 | Low | 58.2 | Low | 117 Ų | 117 | 87.4 Ų | 87.4 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.1 | -37.4 | 173 | -58 | -86.6 | 0 | 0 | 0 | 111.6 | D272 R278 | D272-N274 PolarHBondContact O-N 3.37Å; D272-N274 WeakPolarHBondContact OD1-CB 3.3Å; D272-N274 PolarHBondContact OD1-N 2.91Å; D272-N274 PolarHBondContact OD1-ND2 3.23Å; N274-R278 WeakPolarHBondContact O-CB 3.12Å; N274-R278 PolarHBondContact O-N 2.92Å |
| 275 | L | 64.4 | Low | 60.1 | Low | 37 Ų | 37 | 86.1 Ų | 86.1 | 19% | 0.194 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 172.8 | -172.1 | 86.6 | 0 | 0 | 0 | 110.6 | R251 D272 A277 R278 I279 | R251-L275 VanDerWaalsContact NH1-CD2 3.3Å; D272-L275 HydrophobicContact CB-CB 4.1Å; D272-L275 WeakPolarHBondContact O-CA 3.25Å; D272-L275 VanDerWaalsContact O-CB 3.28Å; D272-L275 WeakPolarHBondContact O-CB 3.45Å; D272-L275 PolarHBondContact O-N 3.29Å; L275-A277 PolarHBondContact O-N 3.49Å; L275-R278 PolarHBondContact O-N 3.35Å; L275-I279 HydrophobicContact CD2-CD1 4.05Å; L275-I279 HydrophobicContact CG-CD1 3.86Å; L275-I279 WeakPolarHBondContact O-CD1 3.43Å; L275-I279 VanDerWaalsContact O-CG1 3.28Å; L275-I279 WeakPolarHBondContact O-CG1 3.27Å; L275-I279 PolarHBondContact O-N 3.21Å |
| 276 | L | 65.7 | Low | 61.7 | Low | 60 Ų | 60 | 83 Ų | 83 | 31% | 0.314 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 179.7 | -173.7 | 60.3 | 0 | 0 | 0 | 111.7 | L216 I271 D272 P273 R278 I279 Q280 | L216-L276 HydrophobicContact CD1-CD1 4.45Å; I271-L276 HydrophobicContact CG2-CB 3.99Å; D272-L276 PolarHBondContact O-N 3.32Å; D272-L276 VanDerWaalsContact O-N 3.08Å; P273-L276 PolarHBondContact O-N 2.67Å; L276-R278 VanDerWaalsContact C-N 3.35Å; L276-R278 PolarHBondContact O-N 3.45Å; L276-I279 PolarHBondContact O-N 2.75Å; L276-Q280 WeakPolarHBondContact O-CB 3.41Å; L276-Q280 PolarHBondContact O-N 3.1Å |
| 277 | A | 68.7 | Low | 63.1 | Low | 60 Ų | 60 | 75 Ų | 75 | 50% | 0.496 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P273 L275 Q280 S281 | P273-A277 WeakPolarHBondContact O-CB 3.05Å; P273-A277 PolarHBondContact O-N 3.01Å; L275-A277 PolarHBondContact O-N 3.49Å; A277-Q280 PolarHBondContact O-N 3.11Å; A277-S281 VanDerWaalsContact O-CB 3.3Å; A277-S281 WeakPolarHBondContact O-CB 3.43Å; A277-S281 PolarHBondContact O-N 2.8Å |
| 278 | R | 69.3 | Low | 64.8 | Low | 180 Ų | 180 | 74.1 Ų | 74.1 | 68% | 0.679 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.7 | -35.9 | 176.8 | -175.1 | 175 | 177.3 | -176.7 | -1.6 | 112.6 | N274 L275 L276 M282 | N274-R278 WeakPolarHBondContact O-CB 3.12Å; N274-R278 PolarHBondContact O-N 2.92Å; L275-R278 PolarHBondContact O-N 3.35Å; L276-R278 VanDerWaalsContact C-N 3.35Å; L276-R278 PolarHBondContact O-N 3.45Å; R278-M282 WeakPolarHBondContact O-CB 3.34Å; R278-M282 PolarHBondContact O-N 3.42Å |
| 279 | I | 65.8 | Low | 66.2 | Low | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.092 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.4 | -47.6 | 172.2 | -68.5 | 159.9 | 0 | 0 | 0 | 110.2 | L216 L248 L275 L276 M282 V283 | L216-I279 HydrophobicContact CD1-CG2 4.49Å; L248-I279 HydrophobicContact CD2-CD1 3.69Å; L248-I279 HydrophobicContact CD2-CG1 4.07Å; L248-I279 HydrophobicContact CD2-CG2 4.19Å; L275-I279 HydrophobicContact CD2-CD1 4.05Å; L275-I279 HydrophobicContact CG-CD1 3.86Å; L275-I279 WeakPolarHBondContact O-CD1 3.43Å; L275-I279 VanDerWaalsContact O-CG1 3.28Å; L275-I279 WeakPolarHBondContact O-CG1 3.27Å; L275-I279 PolarHBondContact O-N 3.21Å; L276-I279 PolarHBondContact O-N 2.75Å; I279-M282 WeakPolarHBondContact O-CB 3.32Å; I279-M282 PolarHBondContact O-N 2.68Å; I279-V283 WeakPolarHBondContact O-CG2 3.28Å; I279-V283 PolarHBondContact O-N 2.95Å |
| 280 | Q | 69.1 | Low | 67.5 | Low | 75 Ų | 75 | 69.6 Ų | 69.6 | 35% | 0.35 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.8 | -49 | -179.5 | -177.6 | 55.4 | 51.2 | 0 | 0 | 111.7 | L276 A277 M282 V283 D284 | L276-Q280 WeakPolarHBondContact O-CB 3.41Å; L276-Q280 PolarHBondContact O-N 3.1Å; A277-Q280 PolarHBondContact O-N 3.11Å; Q280-M282 PolarHBondContact O-N 3.33Å; Q280-V283 PolarHBondContact O-N 2.94Å; Q280-V283 VanDerWaalsContact O-N 3.1Å; Q280-D284 PolarHBondContact NE2-OD1 3.09Å; Q280-D284 PolarHBondContact NE2-OD2 3.08Å; Q280-D284 PolarHBondContact O-N 3.3Å |
| 281 | S | 71 | Confident | 68.6 | Low | 73 Ų | 73 | 69.9 Ų | 69.9 | 51% | 0.51 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -55.7 | -34.6 | 175.6 | 177.1 | 0 | 0 | 0 | 0 | 113 | A277 T285 | A277-S281 VanDerWaalsContact O-CB 3.3Å; A277-S281 WeakPolarHBondContact O-CB 3.43Å; A277-S281 PolarHBondContact O-N 2.8Å; S281-T285 WeakPolarHBondContact O-CB 3.43Å; S281-T285 PolarHBondContact O-N 2.88Å; S281-T285 PolarHBondContact O-OG1 3.37Å |
| 282 | M | 62.3 | Low | 69.6 | Low | 58 Ų | 58 | 72.1 Ų | 72.1 | 29% | 0.286 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -73.9 | -40.5 | 177.1 | -176.6 | -177 | -62 | 0 | 0 | 112.7 | L244 R278 I279 Q280 D284 T285 L286 | L244-M282 HydrophobicContact CB-SD 4.13Å; L244-M282 HydrophobicContact CD1-CE 3.73Å; L244-M282 HydrophobicContact CD1-SD 3.7Å; L244-M282 HydrophobicContact CD2-CE 3.88Å; L244-M282 HydrophobicContact CD2-SD 4.25Å; L244-M282 HydrophobicContact CG-CE 4.33Å; L244-M282 HydrophobicContact CG-SD 4.23Å; R278-M282 WeakPolarHBondContact O-CB 3.34Å; R278-M282 PolarHBondContact O-N 3.42Å; I279-M282 WeakPolarHBondContact O-CB 3.32Å; I279-M282 PolarHBondContact O-N 2.68Å; Q280-M282 PolarHBondContact O-N 3.33Å; M282-D284 VanDerWaalsContact C-N 3.32Å; M282-D284 PolarHBondContact O-N 3.32Å; M282-T285 WeakPolarHBondContact O-CB 3.39Å; M282-T285 PolarHBondContact O-N 2.92Å; M282-L286 WeakPolarHBondContact O-CG 3.5Å; M282-L286 PolarHBondContact O-N 2.9Å |
| 283 | V | 70.7 | Confident | 70.1 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.018 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 171.9 | 172 | 0 | 0 | 0 | 0 | 111 | L216 I220 I279 Q280 T285 L286 A287 | L216-V283 HydrophobicContact CD2-CG2 4.41Å; I220-V283 HydrophobicContact CD1-CG2 3.81Å; I220-V283 HydrophobicContact CG1-CG2 3.79Å; I279-V283 WeakPolarHBondContact O-CG2 3.28Å; I279-V283 PolarHBondContact O-N 2.95Å; Q280-V283 PolarHBondContact O-N 2.94Å; Q280-V283 VanDerWaalsContact O-N 3.1Å; V283-T285 VanDerWaalsContact C-N 3.34Å; V283-L286 PolarHBondContact O-N 3.36Å; V283-A287 WeakPolarHBondContact O-CB 3.3Å; V283-A287 PolarHBondContact O-N 3.11Å |
| 284 | D | 74.1 | Confident | 70.7 | Confident | 83 Ų | 83 | 68.9 Ų | 68.9 | 44% | 0.444 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.8 | -33.1 | 177 | -63.1 | -35.8 | 0 | 0 | 0 | 111.9 | Q280 M282 A287 H288 | Q280-D284 PolarHBondContact NE2-OD1 3.09Å; Q280-D284 PolarHBondContact NE2-OD2 3.08Å; Q280-D284 PolarHBondContact O-N 3.3Å; M282-D284 VanDerWaalsContact C-N 3.32Å; M282-D284 PolarHBondContact O-N 3.32Å; D284-A287 PolarHBondContact O-N 3.46Å; D284-H288 WeakPolarHBondContact O-CB 3.33Å; D284-H288 PolarHBondContact O-N 3.16Å |
| 285 | T | 73.9 | Confident | 71.4 | Confident | 78 Ų | 78 | 68.4 Ų | 68.4 | 48% | 0.479 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 172.3 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | S281 M282 V283 H288 T289 | S281-T285 WeakPolarHBondContact O-CB 3.43Å; S281-T285 PolarHBondContact O-N 2.88Å; S281-T285 PolarHBondContact O-OG1 3.37Å; M282-T285 WeakPolarHBondContact O-CB 3.39Å; M282-T285 PolarHBondContact O-N 2.92Å; V283-T285 VanDerWaalsContact C-N 3.34Å; T285-H288 PolarHBondContact O-N 2.97Å; T285-T289 WeakPolarHBondContact O-CB 3.25Å; T285-T289 PolarHBondContact O-N 3.19Å; T285-T289 PolarHBondContact O-OG1 3.36Å |
| 286 | L | 69.5 | Low | 72 | Confident | 27 Ų | 27 | 70.7 Ų | 70.7 | 14% | 0.141 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 174 | -71.7 | 170.6 | 0 | 0 | 0 | 111.8 | L227 I241 M282 V283 T289 R290 | L227-L286 HydrophobicContact CD1-CD2 4.35Å; I241-L286 HydrophobicContact CD1-CD2 3.82Å; I241-L286 HydrophobicContact CG1-CD2 4.2Å; M282-L286 WeakPolarHBondContact O-CG 3.5Å; M282-L286 PolarHBondContact O-N 2.9Å; V283-L286 PolarHBondContact O-N 3.36Å; L286-T289 PolarHBondContact O-N 2.95Å; L286-R290 PolarHBondContact O-N 3.48Å |
| 287 | A | 70.9 | Confident | 72.6 | Confident | 33 Ų | 33 | 69.9 Ų | 69.9 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V283 D284 T289 R290 V291 | V283-A287 WeakPolarHBondContact O-CB 3.3Å; V283-A287 PolarHBondContact O-N 3.11Å; D284-A287 PolarHBondContact O-N 3.46Å; A287-T289 VanDerWaalsContact C-N 3.33Å; A287-T289 PolarHBondContact O-N 3.38Å; A287-R290 PolarHBondContact O-N 3.34Å; A287-V291 WeakPolarHBondContact O-CG2 3.11Å; A287-V291 PolarHBondContact O-N 3.37Å; A287-V291 VanDerWaalsContact O-N 3.1Å |
| 288 | H | 74 | Confident | 73.4 | Confident | 119 Ų | 119 | 72.6 Ų | 72.6 | 55% | 0.551 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 176.2 | -177.4 | -97 | 0 | 0 | 0 | 112.3 | D284 T285 V291 L292 | D284-H288 WeakPolarHBondContact O-CB 3.33Å; D284-H288 PolarHBondContact O-N 3.16Å; T285-H288 PolarHBondContact O-N 2.97Å; H288-V291 PolarHBondContact O-N 3.39Å; H288-L292 PolarHBondContact O-N 3.23Å |
| 289 | T | 71.4 | Confident | 73.9 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 42% | 0.423 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 177.8 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | T285 L286 A287 L292 Q293 | T285-T289 WeakPolarHBondContact O-CB 3.25Å; T285-T289 PolarHBondContact O-N 3.19Å; T285-T289 PolarHBondContact O-OG1 3.36Å; L286-T289 PolarHBondContact O-N 2.95Å; A287-T289 VanDerWaalsContact C-N 3.33Å; A287-T289 PolarHBondContact O-N 3.38Å; T289-L292 PolarHBondContact O-N 3.17Å; T289-Q293 PolarHBondContact O-N 2.86Å |
| 290 | R | 74.5 | Confident | 74.7 | Confident | 94 Ų | 94 | 70.2 Ų | 70.2 | 36% | 0.355 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.4 | -46 | 171.8 | 178.8 | -178 | 163.8 | 167.5 | 1.1 | 112.1 | L226 L286 A287 L292 Q293 E294 | L226-R290 VanDerWaalsContact CD1-NH1 3.28Å; L286-R290 PolarHBondContact O-N 3.48Å; A287-R290 PolarHBondContact O-N 3.34Å; R290-L292 VanDerWaalsContact C-N 3.3Å; R290-L292 PolarHBondContact O-N 2.85Å; R290-Q293 WeakPolarHBondContact O-CB 3.32Å; R290-Q293 PolarHBondContact O-N 3.12Å; R290-Q293 VanDerWaalsContact O-N 3.16Å; R290-E294 IonicContact CZ-OE1 3.79Å; R290-E294 VanDerWaalsContact CZ-OE1 3.24Å; R290-E294 IonicContact NE-OE1 3.5Å; R290-E294 PolarHBondContact NE-OE1 3.43Å; R290-E294 IonicContact NH2-OE1 2.67Å; R290-E294 PolarHBondContact NH2-OE1 3.09Å; R290-E294 WeakPolarHBondContact O-CG 3.44Å; R290-E294 PolarHBondContact O-N 3.48Å |
| 291 | V | 77.4 | Confident | 75.2 | Confident | 69 Ų | 69 | 69.2 Ų | 69.2 | 42% | 0.418 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 178.1 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | A287 H288 E294 Q295 | A287-V291 WeakPolarHBondContact O-CG2 3.11Å; A287-V291 PolarHBondContact O-N 3.37Å; A287-V291 VanDerWaalsContact O-N 3.1Å; H288-V291 PolarHBondContact O-N 3.39Å; V291-E294 PolarHBondContact O-N 3.37Å; V291-Q295 WeakPolarHBondContact O-CB 3.12Å; V291-Q295 VanDerWaalsContact O-CG 3.32Å; V291-Q295 WeakPolarHBondContact O-CG 3.46Å; V291-Q295 PolarHBondContact O-N 3.04Å |
| 292 | L | 75.9 | Confident | 75.7 | Confident | 83 Ų | 83 | 70.8 Ų | 70.8 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 172.6 | -83.6 | 170 | 0 | 0 | 0 | 112.9 | H288 T289 R290 Q295 L296 | H288-L292 PolarHBondContact O-N 3.23Å; T289-L292 PolarHBondContact O-N 3.17Å; R290-L292 VanDerWaalsContact C-N 3.3Å; R290-L292 PolarHBondContact O-N 2.85Å; L292-Q295 PolarHBondContact O-N 2.52Å; L292-L296 WeakPolarHBondContact O-CB 3.43Å; L292-L296 PolarHBondContact O-N 3.26Å |
| 293 | Q | 72.2 | Confident | 76.6 | Confident | 35 Ų | 35 | 75.4 Ų | 75.4 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.1 | -45 | 175.3 | 179.2 | 70.6 | 1.8 | 0 | 0 | 111.4 | E230 T232 T289 R290 Q295 L296 N297 | E230-Q293 PolarHBondContact OE2-NE2 3.23Å; T232-Q293 PolarHBondContact OG1-NE2 3.15Å; T289-Q293 PolarHBondContact O-N 2.86Å; R290-Q293 WeakPolarHBondContact O-CB 3.32Å; R290-Q293 PolarHBondContact O-N 3.12Å; R290-Q293 VanDerWaalsContact O-N 3.16Å; Q293-Q295 VanDerWaalsContact C-N 3.34Å; Q293-Q295 PolarHBondContact O-N 2.96Å; Q293-L296 WeakPolarHBondContact O-CB 3.43Å; Q293-L296 PolarHBondContact O-N 2.96Å; Q293-L296 VanDerWaalsContact O-N 3.16Å; Q293-N297 PolarHBondContact O-N 2.86Å |
| 294 | E | 78.3 | Confident | 77 | Confident | 75 Ų | 75 | 82.3 Ų | 82.3 | 35% | 0.35 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 176.2 | -72.3 | 176.2 | -179.3 | 0 | 0 | 111.2 | R290 V291 N297 Q298 | R290-E294 IonicContact CZ-OE1 3.79Å; R290-E294 VanDerWaalsContact CZ-OE1 3.24Å; R290-E294 IonicContact NE-OE1 3.5Å; R290-E294 PolarHBondContact NE-OE1 3.43Å; R290-E294 IonicContact NH2-OE1 2.67Å; R290-E294 PolarHBondContact NH2-OE1 3.09Å; R290-E294 WeakPolarHBondContact O-CG 3.44Å; R290-E294 PolarHBondContact O-N 3.48Å; V291-E294 PolarHBondContact O-N 3.37Å; E294-N297 PolarHBondContact O-N 3.18Å; E294-Q298 WeakPolarHBondContact O-CB 3.42Å; E294-Q298 VanDerWaalsContact O-CG 3.25Å; E294-Q298 WeakPolarHBondContact O-CG 3.4Å; E294-Q298 PolarHBondContact O-N 3.25Å |
| 295 | Q | 80.4 | Confident | 77.4 | Confident | 107 Ų | 107 | 84.1 Ų | 84.1 | 50% | 0.5 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 173.1 | -72.7 | 176.6 | 19.4 | 0 | 0 | 112.9 | V291 L292 Q293 Q298 A299 | V291-Q295 WeakPolarHBondContact O-CB 3.12Å; V291-Q295 VanDerWaalsContact O-CG 3.32Å; V291-Q295 WeakPolarHBondContact O-CG 3.46Å; V291-Q295 PolarHBondContact O-N 3.04Å; L292-Q295 PolarHBondContact O-N 2.52Å; Q293-Q295 VanDerWaalsContact C-N 3.34Å; Q293-Q295 PolarHBondContact O-N 2.96Å; Q295-Q298 PolarHBondContact O-N 3.48Å; Q295-A299 VanDerWaalsContact O-CB 3.3Å; Q295-A299 WeakPolarHBondContact O-CB 3.46Å; Q295-A299 PolarHBondContact O-N 3.28Å |
| 296 | L | 76.8 | Confident | 77.7 | Confident | 85 Ų | 85 | 85.6 Ų | 85.6 | 45% | 0.445 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 175.2 | -100.3 | 168.1 | 0 | 0 | 0 | 112 | L292 Q293 A299 R300 | L292-L296 WeakPolarHBondContact O-CB 3.43Å; L292-L296 PolarHBondContact O-N 3.26Å; Q293-L296 WeakPolarHBondContact O-CB 3.43Å; Q293-L296 PolarHBondContact O-N 2.96Å; Q293-L296 VanDerWaalsContact O-N 3.16Å; L296-A299 PolarHBondContact O-N 3.07Å; L296-R300 VanDerWaalsContact O-CG 3.26Å; L296-R300 WeakPolarHBondContact O-CG 3.31Å; L296-R300 PolarHBondContact O-N 3.16Å |
| 297 | N | 79.3 | Confident | 78.1 | Confident | 44 Ų | 44 | 90.3 Ų | 90.3 | 24% | 0.235 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 175.9 | -76.7 | -14.4 | 0 | 0 | 0 | 111.6 | E230 Q293 E294 R300 A301 | E230-N297 PolarHBondContact OE1-ND2 3.01Å; E230-N297 PolarHBondContact OE2-ND2 3.22Å; Q293-N297 PolarHBondContact O-N 2.86Å; E294-N297 PolarHBondContact O-N 3.18Å; N297-R300 WeakPolarHBondContact O-CB 3.46Å; N297-R300 PolarHBondContact O-N 3.26Å; N297-R300 PolarHBondContact OD1-NH1 3.31Å; N297-A301 WeakPolarHBondContact O-CB 3.24Å; N297-A301 PolarHBondContact O-N 3.26Å |
| 298 | Q | 83.9 | Confident | 78.7 | Confident | 117 Ų | 117 | 94.7 Ų | 94.7 | 55% | 0.547 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.9 | -49.8 | 169.7 | -71 | 166.6 | 14.9 | 0 | 0 | 111.3 | E294 Q295 R300 A301 E302 | E294-Q298 WeakPolarHBondContact O-CB 3.42Å; E294-Q298 VanDerWaalsContact O-CG 3.25Å; E294-Q298 WeakPolarHBondContact O-CG 3.4Å; E294-Q298 PolarHBondContact O-N 3.25Å; Q295-Q298 PolarHBondContact O-N 3.48Å; Q298-R300 PolarHBondContact O-N 3.32Å; Q298-A301 PolarHBondContact O-N 2.99Å; Q298-A301 VanDerWaalsContact O-N 3.09Å; Q298-E302 WeakPolarHBondContact O-CB 3.31Å; Q298-E302 WeakPolarHBondContact O-CG 3.37Å; Q298-E302 PolarHBondContact O-N 3.08Å |
| 299 | A | 80.1 | Confident | 79 | Confident | 37 Ų | 37 | 93.3 Ų | 93.3 | 31% | 0.306 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.6 | -12.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q295 L296 R303 | Q295-A299 VanDerWaalsContact O-CB 3.3Å; Q295-A299 WeakPolarHBondContact O-CB 3.46Å; Q295-A299 PolarHBondContact O-N 3.28Å; L296-A299 PolarHBondContact O-N 3.07Å; A299-R303 PolarHBondContact O-NE 2.8Å; A299-R303 PolarHBondContact O-NH2 3.43Å |
| 300 | R | 82.9 | Confident | 79.3 | Confident | 110 Ų | 110 | 96.3 Ų | 96.3 | 42% | 0.415 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -81.5 | -49.7 | 165.4 | -74.9 | 165.2 | 177.8 | 154.4 | -1.7 | 110.2 | L296 N297 Q298 R303 Q304 | L296-R300 VanDerWaalsContact O-CG 3.26Å; L296-R300 WeakPolarHBondContact O-CG 3.31Å; L296-R300 PolarHBondContact O-N 3.16Å; N297-R300 WeakPolarHBondContact O-CB 3.46Å; N297-R300 PolarHBondContact O-N 3.26Å; N297-R300 PolarHBondContact OD1-NH1 3.31Å; Q298-R300 PolarHBondContact O-N 3.32Å; R300-R303 PolarHBondContact O-N 2.97Å; R300-Q304 PolarHBondContact O-N 3Å |
| 301 | A | 80.2 | Confident | 79.4 | Confident | 54 Ų | 54 | 97.6 Ų | 97.6 | 45% | 0.446 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N297 Q298 R303 Q304 H305 | N297-A301 WeakPolarHBondContact O-CB 3.24Å; N297-A301 PolarHBondContact O-N 3.26Å; Q298-A301 PolarHBondContact O-N 2.99Å; Q298-A301 VanDerWaalsContact O-N 3.09Å; A301-R303 VanDerWaalsContact C-N 3.33Å; A301-R303 PolarHBondContact O-N 2.99Å; A301-Q304 PolarHBondContact O-N 3.33Å; A301-H305 WeakPolarHBondContact O-CB 3.43Å; A301-H305 PolarHBondContact O-N 3.3Å |
| 302 | E | 81.9 | Confident | 79.4 | Confident | 107 Ų | 107 | 96.6 Ų | 96.6 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.8 | -41 | 174 | -73.9 | -174.1 | 165.1 | 0 | 0 | 112.2 | Q298 H305 Q306 | Q298-E302 WeakPolarHBondContact O-CB 3.31Å; Q298-E302 WeakPolarHBondContact O-CG 3.37Å; Q298-E302 PolarHBondContact O-N 3.08Å; E302-H305 PolarHBondContact O-N 2.75Å; E302-Q306 WeakPolarHBondContact O-CB 3.49Å; E302-Q306 VanDerWaalsContact O-CG 3.27Å; E302-Q306 WeakPolarHBondContact O-CG 3.39Å; E302-Q306 PolarHBondContact O-N 2.83Å |
| 303 | R | 80.1 | Confident | 79.3 | Confident | 154 Ų | 154 | 99.8 Ų | 99.8 | 58% | 0.581 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64 | -42.7 | 175.3 | -100.1 | -179.6 | -70.3 | 177.7 | -5.5 | 112.1 | A299 R300 A301 H307 | A299-R303 PolarHBondContact O-NE 2.8Å; A299-R303 PolarHBondContact O-NH2 3.43Å; R300-R303 PolarHBondContact O-N 2.97Å; A301-R303 VanDerWaalsContact C-N 3.33Å; A301-R303 PolarHBondContact O-N 2.99Å; R303-H307 WeakPolarHBondContact O-CB 3.25Å; R303-H307 PolarHBondContact O-N 2.93Å |
| 304 | Q | 79.5 | Confident | 79.3 | Confident | 148 Ų | 148 | 105 Ų | 105 | 69% | 0.692 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63 | -43.3 | 174.3 | -70.4 | 179.7 | -8.2 | 0 | 0 | 111.3 | R300 A301 H307 H308 | R300-Q304 PolarHBondContact O-N 3Å; A301-Q304 PolarHBondContact O-N 3.33Å; Q304-H307 PolarHBondContact O-N 3.38Å; Q304-H308 WeakPolarHBondContact O-CB 3.21Å; Q304-H308 PolarHBondContact O-N 3.39Å |
| 305 | H | 82.5 | Confident | 79 | Confident | 121 Ų | 121 | 107.4 Ų | 107.4 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.1 | -40.5 | 179 | -160.8 | 87 | 0 | 0 | 0 | 112.2 | A301 E302 H308 Q309 | A301-H305 WeakPolarHBondContact O-CB 3.43Å; A301-H305 PolarHBondContact O-N 3.3Å; E302-H305 PolarHBondContact O-N 2.75Å; H305-H308 PolarHBondContact O-N 2.86Å; H305-Q309 WeakPolarHBondContact O-CB 3.45Å; H305-Q309 PolarHBondContact O-N 3.34Å |
| 306 | Q | 80.8 | Confident | 78.6 | Confident | 110 Ų | 110 | 108.4 Ų | 108.4 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 172 | -74.6 | 178.3 | 27.4 | 0 | 0 | 111.7 | E302 Q309 Q310 | E302-Q306 WeakPolarHBondContact O-CB 3.49Å; E302-Q306 VanDerWaalsContact O-CG 3.27Å; E302-Q306 WeakPolarHBondContact O-CG 3.39Å; E302-Q306 PolarHBondContact O-N 2.83Å; Q306-Q309 PolarHBondContact O-N 3.39Å; Q306-Q310 WeakPolarHBondContact O-CB 3.31Å; Q306-Q310 WeakPolarHBondContact O-CG 3.43Å; Q306-Q310 PolarHBondContact O-N 3.2Å |
| 307 | H | 78 | Confident | 78.3 | Confident | 126 Ų | 126 | 110 Ų | 110 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.2 | -42.6 | 178.3 | -159.5 | -83.2 | 0 | 0 | 0 | 111.5 | R303 Q304 Q310 H311 | R303-H307 WeakPolarHBondContact O-CB 3.25Å; R303-H307 PolarHBondContact O-N 2.93Å; Q304-H307 PolarHBondContact O-N 3.38Å; H307-Q310 PolarHBondContact O-N 2.61Å; H307-H311 WeakPolarHBondContact O-CB 3.49Å; H307-H311 PolarHBondContact O-N 3.32Å |
| 308 | H | 82 | Confident | 77.8 | Confident | 125 Ų | 125 | 112.2 Ų | 112.2 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.9 | -43.8 | 174.2 | -171.4 | 84.4 | 0 | 0 | 0 | 111.9 | Q304 H305 Q310 H311 S312 | Q304-H308 WeakPolarHBondContact O-CB 3.21Å; Q304-H308 PolarHBondContact O-N 3.39Å; H305-H308 PolarHBondContact O-N 2.86Å; H308-Q310 PolarHBondContact O-N 3.09Å; H308-H311 WeakPolarHBondContact O-CB 3.39Å; H308-H311 PolarHBondContact O-N 3.45Å; H308-S312 PolarHBondContact O-N 2.96Å; H308-S312 PolarHBondContact O-OG 3.37Å |
| 309 | Q | 80.8 | Confident | 76.7 | Confident | 89 Ų | 89 | 109.7 Ų | 109.7 | 42% | 0.416 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -35 | 178.4 | -164.8 | -176.6 | 109.1 | 0 | 0 | 112.3 | H305 Q306 R313 | H305-Q309 WeakPolarHBondContact O-CB 3.45Å; H305-Q309 PolarHBondContact O-N 3.34Å; Q306-Q309 PolarHBondContact O-N 3.39Å; Q309-R313 WeakPolarHBondContact O-CB 3.39Å; Q309-R313 WeakPolarHBondContact O-CG 3.29Å; Q309-R313 PolarHBondContact O-N 3.47Å |
| 310 | Q | 77.1 | Confident | 75.8 | Confident | 132 Ų | 132 | 111.8 Ų | 111.8 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.3 | -44.5 | 169.8 | -75.6 | -175.2 | 15.1 | 0 | 0 | 111.5 | Q306 H307 H308 S312 R313 Y314 | Q306-Q310 WeakPolarHBondContact O-CB 3.31Å; Q306-Q310 WeakPolarHBondContact O-CG 3.43Å; Q306-Q310 PolarHBondContact O-N 3.2Å; H307-Q310 PolarHBondContact O-N 2.61Å; H308-Q310 PolarHBondContact O-N 3.09Å; Q310-S312 PolarHBondContact O-N 2.8Å; Q310-R313 PolarHBondContact O-N 3.14Å; Q310-Y314 WeakPolarHBondContact O-CB 3.42Å; Q310-Y314 PolarHBondContact O-N 3.38Å |
| 311 | H | 78.4 | Confident | 74.9 | Confident | 121 Ų | 121 | 110.6 Ų | 110.6 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.6 | -47.5 | 177.2 | -129.8 | -87.4 | 0 | 0 | 0 | 111.7 | H307 H308 Y314 Q315 | H307-H311 WeakPolarHBondContact O-CB 3.49Å; H307-H311 PolarHBondContact O-N 3.32Å; H308-H311 WeakPolarHBondContact O-CB 3.39Å; H308-H311 PolarHBondContact O-N 3.45Å; H311-Y314 PolarHBondContact O-N 2.92Å; H311-Q315 WeakPolarHBondContact O-CB 3.17Å; H311-Q315 PolarHBondContact O-N 2.92Å |
| 312 | S | 75.5 | Confident | 73.8 | Confident | 49 Ų | 49 | 112.8 Ų | 112.8 | 34% | 0.343 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 177.5 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | H308 Q310 Q316 | H308-S312 PolarHBondContact O-N 2.96Å; H308-S312 PolarHBondContact O-OG 3.37Å; Q310-S312 PolarHBondContact O-N 2.8Å; S312-Q316 WeakPolarHBondContact O-CB 3.46Å; S312-Q316 PolarHBondContact O-N 3.08Å |
| 313 | R | 74.4 | Confident | 72.7 | Confident | 150 Ų | 150 | 111.3 Ų | 111.3 | 57% | 0.566 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64 | -40.7 | 171.7 | -79.6 | -176.7 | -179 | -168.8 | 4.4 | 112.3 | Q309 Q310 Q316 Q317 | Q309-R313 WeakPolarHBondContact O-CB 3.39Å; Q309-R313 WeakPolarHBondContact O-CG 3.29Å; Q309-R313 PolarHBondContact O-N 3.47Å; Q310-R313 PolarHBondContact O-N 3.14Å; R313-Q316 PolarHBondContact O-N 2.81Å; R313-Q317 WeakPolarHBondContact O-CB 3.3Å; R313-Q317 VanDerWaalsContact O-CG 3.26Å; R313-Q317 WeakPolarHBondContact O-CG 3.3Å; R313-Q317 PolarHBondContact O-N 2.91Å |
| 314 | Y | 71.8 | Confident | 71.5 | Confident | 144 Ų | 144 | 113 Ų | 113 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.7 | -43.4 | 178.4 | -172.1 | -110.5 | 0 | 0 | 0 | 111.5 | Q310 H311 Q317 Q318 | Q310-Y314 WeakPolarHBondContact O-CB 3.42Å; Q310-Y314 PolarHBondContact O-N 3.38Å; H311-Y314 PolarHBondContact O-N 2.92Å; Y314-Q317 PolarHBondContact O-N 2.9Å; Y314-Q318 PolarHBondContact O-N 2.75Å |
| 315 | Q | 72.2 | Confident | 70.2 | Confident | 126 Ų | 126 | 109.7 Ų | 109.7 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.5 | -43.1 | 175.8 | -161.4 | 170 | 30.7 | 0 | 0 | 111.6 | H311 Q317 Q318 S319 | H311-Q315 WeakPolarHBondContact O-CB 3.17Å; H311-Q315 PolarHBondContact O-N 2.92Å; Q315-Q317 VanDerWaalsContact C-N 3.33Å; Q315-Q317 PolarHBondContact O-N 3.5Å; Q315-Q318 PolarHBondContact O-N 2.66Å; Q315-S319 PolarHBondContact O-N 3.08Å; Q315-S319 PolarHBondContact O-OG 2.73Å |
| 316 | Q | 73 | Confident | 68.9 | Low | 127 Ų | 127 | 109.3 Ų | 109.3 | 59% | 0.593 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.4 | -31.6 | 175.3 | -166.9 | 176 | 58.4 | 0 | 0 | 112.6 | S312 R313 N320 | S312-Q316 WeakPolarHBondContact O-CB 3.46Å; S312-Q316 PolarHBondContact O-N 3.08Å; R313-Q316 PolarHBondContact O-N 2.81Å; Q316-N320 WeakPolarHBondContact O-CB 3.49Å; Q316-N320 VanDerWaalsContact O-CG 3.27Å; Q316-N320 PolarHBondContact O-N 2.84Å; Q316-N320 PolarHBondContact O-ND2 2.83Å |
| 317 | Q | 71 | Confident | 67.5 | Low | 118 Ų | 118 | 109.6 Ų | 109.6 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67 | -41.3 | 169.6 | -78.7 | 175.6 | 10.9 | 0 | 0 | 111.8 | R313 Y314 Q315 N320 T321 | R313-Q317 WeakPolarHBondContact O-CB 3.3Å; R313-Q317 VanDerWaalsContact O-CG 3.26Å; R313-Q317 WeakPolarHBondContact O-CG 3.3Å; R313-Q317 PolarHBondContact O-N 2.91Å; Y314-Q317 PolarHBondContact O-N 2.9Å; Q315-Q317 VanDerWaalsContact C-N 3.33Å; Q315-Q317 PolarHBondContact O-N 3.5Å; Q317-N320 PolarHBondContact O-N 3.45Å; Q317-T321 WeakPolarHBondContact O-CB 3.35Å; Q317-T321 PolarHBondContact O-N 3.31Å; Q317-T321 PolarHBondContact O-OG1 3.49Å |
| 318 | Q | 66.7 | Low | 65.8 | Low | 92 Ų | 92 | 106.7 Ų | 106.7 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 173.5 | -71.7 | -171.6 | -0.9 | 0 | 0 | 111.5 | Y314 Q315 N320 T321 I322 | Y314-Q318 PolarHBondContact O-N 2.75Å; Q315-Q318 PolarHBondContact O-N 2.66Å; Q318-N320 PolarHBondContact O-N 2.71Å; Q318-T321 PolarHBondContact O-N 2.91Å; Q318-I322 VanDerWaalsContact O-CG1 3.31Å; Q318-I322 WeakPolarHBondContact O-CG1 3.33Å; Q318-I322 PolarHBondContact O-N 3.1Å |
| 319 | S | 61.8 | Low | 63.9 | Low | 64 Ų | 64 | 106.4 Ų | 106.4 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.2 | -46.3 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | Q315 T321 I322 V323 | Q315-S319 PolarHBondContact O-N 3.08Å; Q315-S319 PolarHBondContact O-OG 2.73Å; S319-T321 VanDerWaalsContact C-N 3.34Å; S319-T321 PolarHBondContact O-N 3.3Å; S319-I322 PolarHBondContact O-N 3.43Å; S319-V323 WeakPolarHBondContact O-CB 3.25Å; S319-V323 WeakPolarHBondContact O-CG2 3.38Å; S319-V323 PolarHBondContact O-N 2.7Å |
| 320 | N | 61.2 | Low | 62 | Low | 81 Ų | 81 | 108 Ų | 108 | 43% | 0.433 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.6 | -29.5 | 178.6 | -75.5 | -29.8 | 0 | 0 | 0 | 113.4 | Q316 Q317 Q318 R324 | Q316-N320 WeakPolarHBondContact O-CB 3.49Å; Q316-N320 VanDerWaalsContact O-CG 3.27Å; Q316-N320 PolarHBondContact O-N 2.84Å; Q316-N320 PolarHBondContact O-ND2 2.83Å; Q317-N320 PolarHBondContact O-N 3.45Å; Q318-N320 PolarHBondContact O-N 2.71Å; N320-R324 WeakPolarHBondContact O-CB 3.49Å; N320-R324 VanDerWaalsContact O-CG 3.26Å; N320-R324 WeakPolarHBondContact O-CG 3.48Å; N320-R324 PolarHBondContact O-N 3.29Å; N320-R324 VanDerWaalsContact O-N 3.15Å |
| 321 | T | 63.6 | Low | 60 | Low | 85 Ų | 85 | 106.6 Ų | 106.6 | 52% | 0.521 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71 | -47.3 | 172.6 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | Q317 Q318 S319 V323 R324 S325 | Q317-T321 WeakPolarHBondContact O-CB 3.35Å; Q317-T321 PolarHBondContact O-N 3.31Å; Q317-T321 PolarHBondContact O-OG1 3.49Å; Q318-T321 PolarHBondContact O-N 2.91Å; S319-T321 VanDerWaalsContact C-N 3.34Å; S319-T321 PolarHBondContact O-N 3.3Å; T321-V323 PolarHBondContact O-N 3.37Å; T321-R324 PolarHBondContact O-N 2.9Å; T321-R324 VanDerWaalsContact O-N 3.17Å; T321-S325 WeakPolarHBondContact O-CB 3.47Å; T321-S325 PolarHBondContact O-N 3.46Å; T321-S325 PolarHBondContact O-OG 2.98Å |
| 322 | I | 57.8 | Low | 57.9 | Low | 99 Ų | 99 | 104.4 Ų | 104.4 | 51% | 0.508 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.2 | -48 | 177.6 | -69.1 | 164.5 | 0 | 0 | 0 | 110.7 | Q318 S319 R324 S325 I326 | Q318-I322 VanDerWaalsContact O-CG1 3.31Å; Q318-I322 WeakPolarHBondContact O-CG1 3.33Å; Q318-I322 PolarHBondContact O-N 3.1Å; S319-I322 PolarHBondContact O-N 3.43Å; I322-R324 VanDerWaalsContact C-N 3.31Å; I322-R324 PolarHBondContact O-N 3.33Å; I322-S325 PolarHBondContact O-N 3.31Å; I322-I326 HydrophobicContact CG2-CD1 3.7Å; I322-I326 VanDerWaalsContact O-CG1 3.3Å; I322-I326 WeakPolarHBondContact O-CG1 3.03Å; I322-I326 PolarHBondContact O-N 3.37Å |
| 323 | V | 58.1 | Low | 56.2 | Low | 76 Ų | 76 | 111.1 Ų | 111.1 | 46% | 0.461 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.7 | -36.7 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 112.1 | S319 T321 N327 | S319-V323 WeakPolarHBondContact O-CB 3.25Å; S319-V323 WeakPolarHBondContact O-CG2 3.38Å; S319-V323 PolarHBondContact O-N 2.7Å; T321-V323 PolarHBondContact O-N 3.37Å; V323-N327 VanDerWaalsContact O-CB 3.3Å; V323-N327 WeakPolarHBondContact O-CB 3.38Å; V323-N327 VanDerWaalsContact O-CG 3.25Å; V323-N327 PolarHBondContact O-N 3.47Å; V323-N327 PolarHBondContact O-OD1 2.93Å |
| 324 | R | 55 | Low | 54.6 | Low | 191 Ų | 191 | 112 Ų | 112 | 72% | 0.721 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.3 | -34.4 | 174.8 | -76.5 | 174.7 | 178 | 157.6 | 0.7 | 113.4 | N320 T321 I322 I326 G328 | N320-R324 WeakPolarHBondContact O-CB 3.49Å; N320-R324 VanDerWaalsContact O-CG 3.26Å; N320-R324 WeakPolarHBondContact O-CG 3.48Å; N320-R324 PolarHBondContact O-N 3.29Å; N320-R324 VanDerWaalsContact O-N 3.15Å; T321-R324 PolarHBondContact O-N 2.9Å; T321-R324 VanDerWaalsContact O-N 3.17Å; I322-R324 VanDerWaalsContact C-N 3.31Å; I322-R324 PolarHBondContact O-N 3.33Å; R324-I326 VanDerWaalsContact C-N 3.35Å; R324-G328 WeakPolarHBondContact O-CA 3.44Å; R324-G328 PolarHBondContact O-N 3.1Å |
| 325 | S | 52.8 | Low | 53 | Low | 78 Ų | 78 | 113.4 Ų | 113.4 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.9 | -29.8 | 175.3 | -67.5 | 0 | 0 | 0 | 0 | 112.6 | T321 I322 V329 | T321-S325 WeakPolarHBondContact O-CB 3.47Å; T321-S325 PolarHBondContact O-N 3.46Å; T321-S325 PolarHBondContact O-OG 2.98Å; I322-S325 PolarHBondContact O-N 3.31Å; S325-V329 WeakPolarHBondContact O-CG2 3.39Å |
| 326 | I | 54.6 | Low | 51.5 | Low | 112 Ų | 112 | 114.9 Ų | 114.9 | 57% | 0.574 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77.6 | -45.5 | 173.9 | -65 | 164.6 | 0 | 0 | 0 | 110.4 | I322 R324 G328 | I322-I326 HydrophobicContact CG2-CD1 3.7Å; I322-I326 VanDerWaalsContact O-CG1 3.3Å; I322-I326 WeakPolarHBondContact O-CG1 3.03Å; I322-I326 PolarHBondContact O-N 3.37Å; R324-I326 VanDerWaalsContact C-N 3.35Å; I326-G328 VanDerWaalsContact C-N 3.32Å; I326-G328 PolarHBondContact O-N 3.29Å |
| 327 | N | 51.1 | Low | 50 | Low | 117 Ų | 117 | 115.2 Ų | 115.2 | 63% | 0.626 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -83.6 | -3.6 | -175.3 | -63.2 | 6.3 | 0 | 0 | 0 | 114.2 | V323 | V323-N327 VanDerWaalsContact O-CB 3.3Å; V323-N327 WeakPolarHBondContact O-CB 3.38Å; V323-N327 VanDerWaalsContact O-CG 3.25Å; V323-N327 PolarHBondContact O-N 3.47Å; V323-N327 PolarHBondContact O-OD1 2.93Å |
| 328 | G | 43 | Very low | 48.6 | Very low | 64 Ų | 64 | 115.8 Ų | 115.8 | 66% | 0.66 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 2.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | R324 I326 | R324-G328 WeakPolarHBondContact O-CA 3.44Å; R324-G328 PolarHBondContact O-N 3.1Å; I326-G328 VanDerWaalsContact C-N 3.32Å; I326-G328 PolarHBondContact O-N 3.29Å |
| 329 | V | 42.8 | Very low | 47.4 | Very low | 119 Ų | 119 | 119.6 Ų | 119.6 | 72% | 0.721 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -105.7 | -8.9 | -169 | -179.1 | 0 | 0 | 0 | 0 | 113.1 | S325 | S325-V329 WeakPolarHBondContact O-CG2 3.39Š|
| 330 | T | 41 | Very low | 46.1 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -136.7 | 59.5 | -169.6 | 58.9 | 0 | 0 | 0 | 0 | 114 | ||
| 331 | A | 33.6 | Very low | 45.1 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | trans | -158.7 | 107.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 332 | G | 35.2 | Very low | 43.9 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | trans | 177 | 8.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 333 | Q | 39.6 | Very low | 43.3 | Very low | 191 Ų | 191 | 135.7 Ų | 135.7 | 89% | 0.893 | 74% | 0.738 | S | S | * | * | trans | -168 | 98.3 | 171.4 | -113.7 | 157.8 | -24.7 | 0 | 0 | 113.2 | ||||
| 334 | L | 39.8 | Very low | 42.5 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | -176.4 | 155.1 | 116 | -124.1 | 68.9 | 0 | 0 | 0 | 109.5 | |||||
| 335 | E | 38.4 | Very low | 41.8 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -105.7 | 165.9 | 177 | -66 | 174.7 | 119.4 | 0 | 0 | 110.4 | ||||
| 336 | D | 41.7 | Very low | 41.2 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | 65 | 141.4 | 169.6 | -51.6 | -34 | 0 | 0 | 0 | 116.9 | ||||
| 337 | D | 40.7 | Very low | 40.5 | Very low | 133 Ų | 133 | 143 Ų | 143 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | cis | -158.1 | -178.7 | 12.1 | -160.1 | -11.5 | 0 | 0 | 0 | 111.2 | ||||
| 338 | I | 41.4 | Very low | 39.8 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 67% | 0.672 | 78% | 0.784 | S | S | * | * | trans | 73.3 | 80 | 158.1 | -52.5 | 170.7 | 0 | 0 | 0 | 118 | ||||
| 339 | K | 41.5 | Very low | 39.5 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | 51.6 | 136.5 | 112.1 | -67.9 | 167.4 | -177.3 | 160.2 | 0 | 122.8 | |||||
| 340 | L | 35.1 | Very low | 39.2 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | 71.2 | 127.8 | 148.7 | -96.9 | 70.9 | 0 | 0 | 0 | 116.7 | ||||
| 341 | I | 41.2 | Very low | 38.9 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | cis | -144.8 | 171 | 37.8 | -94.5 | 141.8 | 0 | 0 | 0 | 112.1 | ||||
| 342 | R | 36.8 | Very low | 39.1 | Very low | 239 Ų | 239 | 144.7 Ų | 144.7 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -106.3 | 165.9 | -173.5 | -90.6 | -168.3 | 178.7 | -160.2 | 2.3 | 115.5 | ||||
| 343 | P | 45.4 | Very low | 38.9 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | trans | -111.5 | 164.3 | -167.9 | 41.9 | -34.8 | 0 | 0 | 0 | 116.6 | ||||
| 344 | T | 42.1 | Very low | 38.7 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -159.2 | 160.1 | 164.2 | 46.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 345 | D | 39.1 | Very low | 38.4 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | cis | -155.1 | 155.4 | -13.8 | -124.2 | -43.7 | 0 | 0 | 0 | 114 | ||||
| 346 | N | 40.6 | Very low | 38.3 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 65% | 0.652 | 80% | 0.797 | S | S | * | * | trans | 31.9 | 137 | 146.5 | -91 | -75.5 | 0 | 0 | 0 | 126 | ||||
| 347 | R | 39.6 | Very low | 37.9 | Very low | 233 Ų | 233 | 146.4 Ų | 146.4 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 81.8 | 112.3 | 137.1 | -72.6 | 170.4 | -178.4 | -156.9 | -1.1 | 123.3 | ||||
| 348 | G | 37.9 | Very low | 37.7 | Very low | 87 Ų | 87 | 146.6 Ų | 146.6 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | 106.6 | 133.8 | 116.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 349 | G | 36 | Very low | 37.3 | Very low | 84 Ų | 84 | 146 Ų | 146 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | 160.8 | 107.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 350 | L | 35.7 | Very low | 37.1 | Very low | 168 Ų | 168 | 145 Ų | 145 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | trans | -95.8 | 166.5 | -176.7 | -108.5 | 157.2 | 0 | 0 | 0 | 112.1 | ||||
| 351 | V | 36 | Very low | 37 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | 81.5 | 139.2 | 160.4 | -145 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 352 | S | 37.5 | Very low | 36.8 | Very low | 99 Ų | 99 | 143.1 Ų | 143.1 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | 57.2 | 106.9 | 152.2 | 51.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 353 | S | 31.3 | Very low | 36.9 | Very low | 118 Ų | 118 | 142 Ų | 142 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | 12.7 | 106.6 | 118.3 | -53.6 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 354 | V | 35.6 | Very low | 36.6 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | -135.3 | 145.2 | 126.9 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 355 | K | 32.2 | Very low | 36.4 | Very low | 200 Ų | 200 | 142.2 Ų | 142.2 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | -92.1 | 103 | -175.7 | 176.2 | -175.5 | 178.9 | -177.7 | 0 | 110.3 | ||||
| 356 | L | 37.3 | Very low | 36.5 | Very low | 167 Ų | 167 | 140 Ų | 140 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -118 | 145.9 | 166.7 | -78.1 | 173 | 0 | 0 | 0 | 110.8 | ||||
| 357 | K | 32.2 | Very low | 36.3 | Very low | 177 Ų | 177 | 140 Ų | 140 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -139.8 | 125.2 | -174.6 | 178.8 | -176.5 | 177.6 | -173.8 | 0 | 108.1 | ||||
| 358 | T | 36.2 | Very low | 36.2 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -146.5 | 134.4 | 174.6 | -16.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 359 | D | 33 | Very low | 36 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 63% | 0.631 | 77% | 0.768 | S | S | * | * | trans | -88.2 | 162.7 | -173 | -47.8 | -91.1 | 0 | 0 | 0 | 112 | ||||
| 360 | T | 37.2 | Very low | 36 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 92% | 0.92 | 76% | 0.761 | S | S | * | * | trans | -146.5 | 128.6 | 152 | -60.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 361 | C | 34.5 | Very low | 35.9 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | -111.4 | 149.8 | -169.2 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 362 | I | 37.3 | Very low | 35.8 | Very low | 165 Ų | 165 | 145.2 Ų | 145.2 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | -129.4 | 117.5 | 154.1 | -61.1 | -175.6 | 0 | 0 | 0 | 109.6 | ||||
| 363 | R | 37.3 | Very low | 35.8 | Very low | 217 Ų | 217 | 145.6 Ų | 145.6 | 82% | 0.819 | 76% | 0.758 | S | S | * | * | trans | 4.7 | 141 | 151.2 | -62.8 | -178.3 | 160.4 | 128.4 | -4.9 | 118.2 | ||||
| 364 | N | 39 | Very low | 36 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | cis | -161.1 | -169.5 | 2.3 | -120.5 | 26.2 | 0 | 0 | 0 | 108.7 | ||||
| 365 | D | 38.9 | Very low | 36.1 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | cis | -153.6 | -175.6 | 11 | -141.6 | -58 | 0 | 0 | 0 | 112 | ||||
| 366 | S | 41.1 | Very low | 36.6 | Very low | 81 Ų | 81 | 141 Ų | 141 | 57% | 0.566 | 75% | 0.746 | S | S | * | * | trans | -6.6 | 138.9 | 143 | -66.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 367 | N | 36.9 | Very low | 36.2 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 65% | 0.647 | 74% | 0.741 | S | S | * | * | cis | -170.1 | 162.1 | 2.6 | -92.4 | -39.9 | 0 | 0 | 0 | 105.7 | ||||
| 368 | R | 36.6 | Very low | 36.2 | Very low | 205 Ų | 205 | 135.1 Ų | 135.1 | 77% | 0.774 | 74% | 0.74 | S | S | * | * | cis | -169.3 | 158.1 | -9.3 | -94.1 | 166.1 | -176.5 | -131.7 | -3.1 | 105.5 | ||||
| 369 | L | 34 | Very low | 36.1 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | cis | -165.8 | 155.1 | -13.6 | -113.5 | 168.9 | 0 | 0 | 0 | 108.2 | ||||
| 370 | I | 36.8 | Very low | 36.1 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | trans | 68.9 | 132.1 | 154.8 | -63.1 | 159.2 | 0 | 0 | 0 | 117.5 | ||||
| 371 | R | 32.7 | Very low | 36.2 | Very low | 206 Ų | 206 | 132.2 Ų | 132.2 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | cis | -164.8 | 149.4 | -17.7 | -111.3 | -170.5 | -178.6 | -172.5 | 1 | 109.1 | ||||
| 372 | P | 34.3 | Very low | 36.2 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | -135.8 | 137.1 | 151.3 | 34.8 | -20.5 | 0 | 0 | 0 | 114.9 | ||||
| 373 | T | 36.9 | Very low | 36.3 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | trans | -166.8 | 146.7 | -177.5 | 45.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 374 | T | 36.5 | Very low | 36.3 | Very low | 130 Ų | 130 | 132 Ų | 132 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | cis | -164.3 | 157 | -12.1 | 16 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 375 | P | 38.2 | Very low | 36.4 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -104.6 | -169.5 | 176.7 | 43.3 | -36.6 | 0 | 0 | 0 | 112.5 | ||||
| 376 | P | 42.3 | Very low | 36 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | cis | -130.9 | -166 | -27.3 | 25.6 | -1.1 | 0 | 0 | 0 | 113.5 | ||||
| 377 | C | 28.3 | Very low | 35.8 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | 109.4 | 139.3 | 146.8 | -68.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 378 | S | 31.5 | Very low | 35.6 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | 73.5 | 144 | 144.3 | 49.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 379 | S | 34.3 | Very low | 35.6 | Very low | 89 Ų | 89 | 131 Ų | 131 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | trans | 77.2 | 103 | 146.8 | 44.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 380 | D | 34.2 | Very low | 35.7 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | 81.4 | 163.4 | 118.5 | -48.6 | -25 | 0 | 0 | 0 | 122.8 | |||||
| 381 | A | 38.2 | Very low | 35.4 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | trans | 82.2 | 87.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 382 | E | 35.3 | Very low | 35.3 | Very low | 183 Ų | 183 | 128 Ų | 128 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -12.1 | 145.5 | 130.3 | -44.2 | -74.9 | 86.9 | 0 | 0 | 117 | ||||
| 383 | D | 39.9 | Very low | 35.1 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | -160.9 | 170.3 | 102.5 | -150.1 | -5.1 | 0 | 0 | 0 | 111.9 | |||||
| 384 | D | 37.5 | Very low | 34.9 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -93 | 171.4 | -161.1 | -177.9 | 43.4 | 0 | 0 | 0 | 116.2 | ||||
| 385 | S | 39.4 | Very low | 34.6 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 139.2 | 94.3 | 134.8 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 386 | G | 31.2 | Very low | 34.4 | Very low | 70 Ų | 70 | 140.4 Ų | 140.4 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -94.6 | 158.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 387 | I | 36.1 | Very low | 33.7 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 90% | 0.903 | 80% | 0.802 | S | S | * | * | trans | -128.1 | 145.2 | 169.2 | -69.9 | -178.1 | 0 | 0 | 0 | 109.8 | ||||
| 388 | L | 32.9 | Very low | 34 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -73.8 | 162.5 | -166.1 | -99.7 | 76.9 | 0 | 0 | 0 | 115.8 | ||||
| 389 | P | 36.4 | Very low | 34 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | trans | -92.4 | 158.3 | -178.8 | 37.3 | -35.6 | 0 | 0 | 0 | 114.7 | ||||
| 390 | Q | 36.7 | Very low | 34.2 | Very low | 189 Ų | 189 | 149 Ų | 149 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -133.9 | 129.7 | 155.6 | -75.7 | -174.6 | -3.6 | 0 | 0 | 106.6 | ||||
| 391 | S | 31.3 | Very low | 34.3 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | 90.5 | 152.7 | 60.4 | -163 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 392 | C | 30.5 | Very low | 34 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 76.5 | 131.4 | 171.4 | -55.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 393 | D | 29.1 | Very low | 33.9 | Very low | 151 Ų | 151 | 150.7 Ų | 150.7 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -54.3 | 149.3 | 167.6 | -53.8 | -112.5 | 0 | 0 | 0 | 114.7 | ||||
| 394 | R | 32.8 | Very low | 33.6 | Very low | 243 Ų | 243 | 149.7 Ų | 149.7 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | 178 | 155 | 106.7 | -97.7 | 169 | 176.1 | -169 | -1.7 | 114.7 | |||||
| 395 | K | 31 | Very low | 33.5 | Very low | 182 Ų | 182 | 146.7 Ų | 146.7 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -35.5 | 139 | 157.8 | -68.2 | 167.9 | 171.1 | 172.3 | 0 | 112.8 | ||||
| 396 | L | 33.7 | Very low | 33 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | -167.5 | 144.3 | 117.4 | -106.7 | 164.6 | 0 | 0 | 0 | 114 | |||||
| 397 | H | 28.5 | Very low | 33.2 | Very low | 170 Ų | 170 | 156.3 Ų | 156.3 | 79% | 0.787 | 79% | 0.794 | S | S | * | * | trans | -57.3 | 151.2 | 162.8 | -60.9 | 138.9 | 0 | 0 | 0 | 112 | ||||
| 398 | L | 32.8 | Very low | 33 | Very low | 156 Ų | 156 | 153.6 Ų | 153.6 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | -162.2 | 142 | 101.4 | -141.4 | 64.4 | 0 | 0 | 0 | 113.8 | |||||
| 399 | A | 31.9 | Very low | 33.1 | Very low | 90 Ų | 90 | 151.9 Ų | 151.9 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | -90.8 | 146.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 400 | K | 38.3 | Very low | 33 | Very low | 186 Ų | 186 | 151 Ų | 151 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | trans | -145.3 | 110.1 | 157.3 | -94.8 | 158.6 | -174.2 | 170.8 | 0 | 106.5 | ||||
| 401 | K | 37.1 | Very low | 33.1 | Very low | 173 Ų | 173 | 150.9 Ų | 150.9 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | 92.5 | 114.2 | 70.6 | -99.7 | -169.9 | 172.3 | 175.9 | 0 | 111.9 | |||||
| 402 | N | 32.1 | Very low | 33.2 | Very low | 132 Ų | 132 | 154 Ų | 154 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | 68.3 | 158 | 127.1 | -67.6 | 6.4 | 0 | 0 | 0 | 118.3 | |||||
| 403 | K | 33.6 | Very low | 33.4 | Very low | 170 Ų | 170 | 154.5 Ų | 154.5 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | cis | -164.3 | 167.2 | 8.9 | -134.8 | 176.3 | 161.4 | -167.6 | 0 | 110.1 | ||||
| 404 | L | 33.6 | Very low | 33.6 | Very low | 146 Ų | 146 | 153.3 Ų | 153.3 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | 64.4 | 158.1 | 156.9 | -91.2 | 55.8 | 0 | 0 | 0 | 117.2 | ||||
| 405 | A | 34.7 | Very low | 33.6 | Very low | 74 Ų | 74 | 146.3 Ų | 146.3 | 61% | 0.612 | 76% | 0.759 | S | S | * | * | cis | -166.2 | 156.6 | -28.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 406 | N | 29.8 | Very low | 33.7 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | 22.7 | 122.4 | 142.4 | -52.1 | -1.2 | 0 | 0 | 0 | 120.8 | ||||
| 407 | R | 34.4 | Very low | 33.9 | Very low | 238 Ų | 238 | 143.7 Ų | 143.7 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | 177.7 | 121.8 | 114.6 | -94.7 | 164.3 | 171.3 | -163.9 | -3.8 | 108.4 | |||||
| 408 | T | 32.3 | Very low | 34.1 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | cis | 73.3 | 83.6 | 46.3 | 73.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 409 | S | 35 | Very low | 34 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | trans | 175.7 | 152.7 | 152.1 | -85.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 410 | S | 33.7 | Very low | 33.9 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | cis | -172.7 | 172.5 | -20.9 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 411 | K | 38.1 | Very low | 33.7 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 81% | 0.809 | 74% | 0.738 | S | S | * | * | trans | 81.1 | 117.5 | 165.4 | -56 | -169.9 | -177.6 | -170.7 | 0 | 116.2 | ||||
| 412 | H | 33.3 | Very low | 33.4 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | 99.9 | 127.1 | 70.9 | -137.5 | -136.2 | 0 | 0 | 0 | 107.9 | |||||
| 413 | L | 35.6 | Very low | 33.3 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | cis | -140.3 | 169.9 | 23.5 | -80.7 | 155.9 | 0 | 0 | 0 | 113.2 | ||||
| 414 | D | 32.8 | Very low | 33.2 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | trans | 9.6 | 140.8 | 157.3 | -64.8 | -75.6 | 0 | 0 | 0 | 123.2 | ||||
| 415 | S | 32.7 | Very low | 33.1 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | cis | 81.6 | 144.7 | 41.6 | 106 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 416 | K | 34.4 | Very low | 32.9 | Very low | 186 Ų | 186 | 133.1 Ų | 133.1 | 81% | 0.809 | 71% | 0.705 | S | S | * | * | cis | -143.1 | -175.1 | 1.9 | -113.9 | -164.7 | 178.5 | -178 | 0 | 109.5 | ||||
| 417 | P | 37.3 | Very low | 32.9 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | trans | -119.5 | -151.9 | -164.2 | 38.5 | -21 | 0 | 0 | 0 | 115 | ||||
| 418 | L | 31.5 | Very low | 32.8 | Very low | 143 Ų | 143 | 123.6 Ų | 123.6 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | trans | 81.9 | 157.2 | 171.3 | -53.1 | 178.8 | 0 | 0 | 0 | 115.9 | ||||
| 419 | D | 30.8 | Very low | 32.7 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 70% | 0.695 | 68% | 0.679 | S | S | * | * | cis | -151 | 176 | -0.8 | -134.8 | -24.8 | 0 | 0 | 0 | 117.2 | ||||
| 420 | V | 31.7 | Very low | 32.5 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 68% | 0.679 | 67% | 0.67 | S | S | * | * | trans | -23.1 | 138.8 | 160.6 | 162.5 | 0 | 0 | 0 | 0 | 119.8 | F422 | V420-F422 HydrophobicContact CG1-CD2 4.48Š| ||
| 421 | A | 32.8 | Very low | 32.5 | Very low | 92 Ų | 92 | 123.6 Ų | 123.6 | 76% | 0.76 | 67% | 0.671 | S | S | * | * | 176.7 | 118.9 | 123.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 422 | F | 30.6 | Very low | 32.2 | Very low | 168 Ų | 168 | 125 Ų | 125 | 74% | 0.737 | 67% | 0.671 | S | S | * | * | 73.7 | 146.5 | 52.1 | -104.2 | -75.8 | 0 | 0 | 0 | 117.1 | V420 | V420-F422 HydrophobicContact CG1-CD2 4.48Š| |||
| 423 | R | 31.1 | Very low | 32.3 | Very low | 191 Ų | 191 | 123.6 Ų | 123.6 | 72% | 0.721 | 66% | 0.663 | S | S | * | * | trans | 84 | 151.9 | 160.2 | -61.2 | -128.1 | 140.4 | 112 | 7.1 | 120.3 | ||||
| 424 | D | 30.7 | Very low | 32.2 | Very low | 71 Ų | 71 | 124.3 Ų | 124.3 | 38% | 0.38 | 66% | 0.662 | S | S | . | * | cis | 177.8 | 167 | -38.4 | -100 | -22.7 | 0 | 0 | 0 | 107.5 | L533 E534 | D424-L533 VanDerWaalsContact C-C 3.44Å; D424-L533 CarbonylContact C-O 3.24Å; D424-E534 CarbonylContact O-C 3.5Å | ||
| 425 | S | 32.6 | Very low | 32.1 | Very low | 76 Ų | 76 | 125.7 Ų | 125.7 | 53% | 0.531 | 66% | 0.664 | S | S | . | * | trans | 118.6 | 70.3 | 153.4 | -49.4 | 0 | 0 | 0 | 0 | 120.9 | L533 | S425-L533 CarbonylContact C-O 3.45Å; S425-L533 VanDerWaalsContact C-O 3.24Å; S425-L533 WeakPolarHBondContact CA-O 3.35Å; S425-L533 PolarHBondContact N-O 3.08Å | ||
| 426 | N | 29 | Very low | 32 | Very low | 93 Ų | 93 | 126.7 Ų | 126.7 | 50% | 0.497 | 66% | 0.661 | S | S | . | * | trans | 63.9 | 167.8 | 135.5 | -59.8 | -64.4 | 0 | 0 | 0 | 116.5 | F532 | N426-F532 VanDerWaalsContact C-CB 3.47Å; N426-F532 PolarHBondContact N-O 2.74Å; N426-F532 WeakPolarHBondContact O-CB 3.18Å | ||
| 427 | I | 31.2 | Very low | 32 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 63% | 0.631 | 66% | 0.66 | S | S | * | * | -165.6 | 161.8 | 54.9 | -79.5 | 170.4 | 0 | 0 | 0 | 106.6 | |||||
| 428 | S | 31 | Very low | 31.7 | Very low | 58 Ų | 58 | 128 Ų | 128 | 41% | 0.406 | 66% | 0.657 | S | S | . | * | cis | -174.4 | 151.4 | -38.8 | 83 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 429 | Q | 30.9 | Very low | 31.6 | Very low | 175 Ų | 175 | 125.1 Ų | 125.1 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | trans | 64.3 | 148 | 157.7 | -56.5 | 176.4 | 29.1 | 0 | 0 | 118.3 | ||||
| 430 | G | 31.4 | Very low | 31.7 | Very low | 66 Ų | 66 | 127.5 Ų | 127.5 | 68% | 0.68 | 66% | 0.656 | S | S | * | * | cis | 163.8 | -170.5 | -10.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 431 | S | 33.7 | Very low | 32.1 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 70% | 0.699 | 66% | 0.657 | S | S | * | * | trans | 71.7 | 116.8 | 167.7 | -73 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 432 | R | 32.1 | Very low | 32 | Very low | 214 Ų | 214 | 128.4 Ų | 128.4 | 81% | 0.808 | 65% | 0.654 | S | S | * | * | 90.8 | 147 | 93.1 | -74.7 | -175.9 | 174.7 | -175 | 0 | 112.1 | |||||
| 433 | K | 34.6 | Very low | 32 | Very low | 142 Ų | 142 | 128 Ų | 128 | 62% | 0.617 | 65% | 0.654 | S | S | * | * | cis | -163.9 | 149 | 0.9 | -119.6 | -169.1 | 176 | -170.4 | 0 | 109.5 | ||||
| 434 | H | 33.9 | Very low | 32 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 67% | 0.671 | 65% | 0.646 | S | S | * | * | trans | 65.5 | 165.8 | 144.9 | -73.2 | -146.3 | 0 | 0 | 0 | 118.8 | ||||
| 435 | H | 29.8 | Very low | 32.2 | Very low | 154 Ų | 154 | 128.4 Ų | 128.4 | 71% | 0.713 | 66% | 0.663 | S | S | * | * | cis | 176.7 | 166.5 | -34.6 | -142.7 | -56.2 | 0 | 0 | 0 | 107.1 | ||||
| 436 | I | 31.7 | Very low | 32.4 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 60% | 0.6 | 67% | 0.667 | S | S | * | * | trans | 87.3 | 129.9 | 148.5 | -68.4 | 160 | 0 | 0 | 0 | 120.3 | ||||
| 437 | Y | 33.1 | Very low | 32.7 | Very low | 200 Ų | 200 | 134.4 Ų | 134.4 | 78% | 0.784 | 68% | 0.676 | S | S | * | * | trans | 55.6 | 154.5 | 158.7 | -61.6 | -31 | 0 | 0 | 0 | 120.6 | ||||
| 438 | D | 32.5 | Very low | 32.9 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 63% | 0.631 | 68% | 0.675 | S | S | * | * | cis | -155.8 | 144.4 | -22.6 | -109.4 | -19.9 | 0 | 0 | 0 | 107.2 | ||||
| 439 | S | 29.6 | Very low | 33.2 | Very low | 83 Ų | 83 | 137.7 Ų | 137.7 | 58% | 0.58 | 69% | 0.69 | S | S | * | * | 75.3 | 110.6 | 69.1 | -51.3 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 440 | H | 32.1 | Very low | 33.4 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 83% | 0.829 | 68% | 0.682 | S | S | * | * | trans | 77 | 168.8 | 141.1 | -65.9 | -46.6 | 0 | 0 | 0 | 118.5 | ||||
| 441 | P | 39.5 | Very low | 33.6 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | -142.2 | -139.9 | -106.8 | 30.8 | -0.8 | 0 | 0 | 0 | 113.5 | |||||
| 442 | V | 30.6 | Very low | 33.9 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 70% | 0.703 | 69% | 0.689 | S | S | * | * | trans | 84.9 | 120.1 | 154.5 | 172.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 443 | H | 31 | Very low | 34 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 74% | 0.741 | 68% | 0.684 | S | S | * | * | trans | 41.2 | 161.7 | 141.9 | -76.1 | -97.5 | 0 | 0 | 0 | 121.2 | ||||
| 444 | N | 31.4 | Very low | 33.9 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 55% | 0.551 | 69% | 0.687 | S | S | * | * | cis | -164.1 | 173.7 | 17.9 | -138.1 | -9 | 0 | 0 | 0 | 113.1 | ||||
| 445 | F | 35 | Very low | 34 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | trans | 64.6 | 155.6 | 153.8 | -69.6 | -52.9 | 0 | 0 | 0 | 118.9 | ||||
| 446 | D | 36 | Very low | 34.2 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 60% | 0.604 | 70% | 0.704 | S | S | * | * | cis | -147.3 | 160.7 | 4.2 | -137.8 | -20.2 | 0 | 0 | 0 | 114.2 | ||||
| 447 | R | 36.5 | Very low | 34.5 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | trans | 36.1 | 145.1 | 149.6 | -81.8 | 176.7 | 138.1 | 90.8 | 20.7 | 122.5 | ||||
| 448 | E | 34.8 | Very low | 34.4 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 62% | 0.621 | 71% | 0.706 | S | S | * | * | cis | -166.8 | -177 | -8.3 | -126.9 | 164.5 | -177 | 0 | 0 | 105 | ||||
| 449 | T | 36.7 | Very low | 34.6 | Very low | 116 Ų | 116 | 133 Ų | 133 | 71% | 0.712 | 71% | 0.714 | S | S | * | * | cis | -164.7 | 159.1 | 6.2 | 14.4 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 450 | S | 36.1 | Very low | 34.5 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | cis | 178.5 | 149.2 | -19.8 | 50.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 451 | H | 35.6 | Very low | 34.5 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | 68.3 | 154.8 | 164.4 | -101.6 | 5.3 | 0 | 0 | 0 | 117.7 | D453 | H451-D453 IonicContact CE1-OD2 3.79Å; H451-D453 IonicContact ND1-OD2 3.88Å | ||
| 452 | V | 38.4 | Very low | 34 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | cis | -131.5 | 158.7 | 10.5 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 453 | D | 34.5 | Very low | 34 | Very low | 129 Ų | 129 | 137 Ų | 137 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | trans | -59.4 | 169 | 173.2 | -49.4 | -97 | 0 | 0 | 0 | 115.5 | H451 | H451-D453 IonicContact CE1-OD2 3.79Å; H451-D453 IonicContact ND1-OD2 3.88Å | ||
| 454 | G | 33.6 | Very low | 33.9 | Very low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | cis | 164.8 | -153.5 | -1.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 455 | Y | 35.7 | Very low | 34.1 | Very low | 234 Ų | 234 | 133.9 Ų | 133.9 | 92% | 0.918 | 73% | 0.73 | S | S | * | * | trans | 87 | 127.1 | 170.4 | -71.4 | -88.3 | 0 | 0 | 0 | 122.1 | ||||
| 456 | L | 33.2 | Very low | 33.9 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 82% | 0.817 | 73% | 0.731 | S | S | * | * | trans | -91 | -171.1 | 164.4 | -70.2 | 165.7 | 0 | 0 | 0 | 109.2 | ||||
| 457 | P | 38.2 | Very low | 33.8 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | cis | -122.2 | -177.7 | 3.6 | 40.1 | -20.2 | 0 | 0 | 0 | 112.7 | ||||
| 458 | S | 32.3 | Very low | 33.5 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | cis | 67.9 | 91.5 | 40.6 | -69.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 459 | D | 35.5 | Very low | 33.5 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | -158.9 | 143.5 | 151.4 | -88.7 | -42.6 | 0 | 0 | 0 | 108.1 | ||||
| 460 | N | 27.4 | Very low | 33.3 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | cis | 90 | 68.6 | 30.5 | -75.9 | -21.4 | 0 | 0 | 0 | 117.4 | ||||
| 461 | S | 33.4 | Very low | 33.2 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -174.9 | 136.8 | 140.2 | 37 | 0 | 0 | 0 | 0 | 108 | ||||
| 462 | S | 27.3 | Very low | 33.1 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | cis | 66 | 74.4 | 28.4 | -166.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 463 | F | 32.5 | Very low | 32.8 | Very low | 196 Ų | 196 | 135.1 Ų | 135.1 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -138.1 | 113.9 | 151.2 | -128 | -84.1 | 0 | 0 | 0 | 111.6 | ||||
| 464 | S | 28.3 | Very low | 32.8 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | trans | -93.1 | 137.6 | 170.5 | 55.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 465 | D | 35.3 | Very low | 32.8 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 54% | 0.54 | 73% | 0.729 | S | S | . | * | trans | -158.2 | 128.8 | 150.1 | -101.8 | -23.4 | 0 | 0 | 0 | 108.5 | ||||
| 466 | R | 31.1 | Very low | 32.8 | Very low | 200 Ų | 200 | 132.4 Ų | 132.4 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | 59.9 | 126.9 | 90 | -70.3 | -170.9 | -165.9 | 117.5 | 0.8 | 111.2 | |||||
| 467 | N | 34.1 | Very low | 32.8 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | cis | -167.9 | 174.2 | 32.9 | -100.3 | -20.7 | 0 | 0 | 0 | 108.2 | ||||
| 468 | N | 30.8 | Very low | 32.4 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | cis | -178.1 | 150.4 | -20 | 175 | 28 | 0 | 0 | 0 | 107.6 | ||||
| 469 | S | 34.5 | Very low | 32.2 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | trans | 67.2 | 155.2 | 157.1 | 81.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 470 | N | 31.4 | Very low | 32 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | cis | -165.8 | 160.6 | -7.5 | -125.1 | -10.2 | 0 | 0 | 0 | 111.2 | ||||
| 471 | I | 35 | Very low | 32 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 67% | 0.672 | 72% | 0.724 | S | S | * | * | trans | 60.8 | 135.7 | 141.3 | -67.9 | 167.5 | 0 | 0 | 0 | 118.4 | ||||
| 472 | N | 33.2 | Very low | 31.7 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 65% | 0.647 | 73% | 0.73 | S | S | * | * | cis | -159.6 | 158.6 | -7.5 | -114.3 | 6.7 | 0 | 0 | 0 | 111 | ||||
| 473 | Y | 32.1 | Very low | 31.9 | Very low | 183 Ų | 183 | 149.5 Ų | 149.5 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | 14.9 | 127.2 | 139.4 | -67.1 | -109.2 | 0 | 0 | 0 | 118.2 | ||||
| 474 | N | 34.8 | Very low | 31.8 | Very low | 128 Ų | 128 | 148.1 Ų | 148.1 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | -169 | 146.5 | 69.9 | -88.7 | -64.2 | 0 | 0 | 0 | 113 | |||||
| 475 | N | 33.5 | Very low | 31.7 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 66% | 0.658 | 73% | 0.728 | S | S | * | * | 47.5 | 137.3 | 129.7 | -55.7 | 2.9 | 0 | 0 | 0 | 120.8 | |||||
| 476 | D | 34.9 | Very low | 31.3 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 65% | 0.652 | 74% | 0.742 | S | S | * | * | cis | -151.4 | 147.1 | 14.9 | -106.2 | -32 | 0 | 0 | 0 | 115.1 | ||||
| 477 | H | 32.9 | Very low | 31 | Very low | 163 Ų | 163 | 153 Ų | 153 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | 31.5 | 148.1 | 139.5 | -72.2 | 82.4 | 0 | 0 | 0 | 123.5 | ||||
| 478 | V | 29.5 | Very low | 30.7 | Very low | 105 Ų | 105 | 154 Ų | 154 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | cis | -172.4 | 137.8 | -26.1 | 112.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 479 | H | 29.9 | Very low | 30.5 | Very low | 163 Ų | 163 | 155.1 Ų | 155.1 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | 167.4 | 94.5 | 137.8 | -99.3 | -63.7 | 0 | 0 | 0 | 110.8 | ||||
| 480 | Q | 31 | Very low | 30.2 | Very low | 192 Ų | 192 | 155.3 Ų | 155.3 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | trans | -88.9 | 143.1 | 166.6 | -122.9 | 176.2 | 9.6 | 0 | 0 | 110.2 | R482 | Q480-R482 PolarHBondContact O-N 2.83Š| ||
| 481 | F | 27.7 | Very low | 30 | Very low | 220 Ų | 220 | 155.9 Ų | 155.9 | 97% | 0.965 | 76% | 0.763 | S | S | * | * | trans | -68.7 | 117.4 | -179.3 | -96.7 | -110.7 | 0 | 0 | 0 | 111.8 | ||||
| 482 | R | 26.7 | Very low | 29.7 | Very low | 237 Ų | 237 | 160.9 Ų | 160.9 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | trans | -156.7 | 88.9 | 164.5 | -172.7 | -165.6 | 179.3 | 104.6 | 5.9 | 111.6 | Q480 | Q480-R482 PolarHBondContact O-N 2.83Š| ||
| 483 | E | 30.7 | Very low | 29.5 | Very low | 170 Ų | 170 | 163.9 Ų | 163.9 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -149.3 | 132 | 156.7 | -99.6 | -166.4 | -149.4 | 0 | 0 | 111.3 | ||||
| 484 | H | 29.5 | Very low | 29.3 | Very low | 166 Ų | 166 | 162 Ų | 162 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 57.6 | 71.2 | 156.8 | -54.3 | 108.1 | 0 | 0 | 0 | 120 | ||||
| 485 | S | 26.6 | Very low | 28.9 | Very low | 106 Ų | 106 | 162.3 Ų | 162.3 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -65.8 | 164.6 | 146.1 | -43.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 486 | N | 26.8 | Very low | 28.6 | Very low | 156 Ų | 156 | 163.2 Ų | 163.2 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | 71.2 | 83.2 | 160.7 | -59.2 | 0.1 | 0 | 0 | 0 | 119.1 | ||||
| 487 | R | 25.7 | Very low | 28.3 | Very low | 239 Ų | 239 | 164.4 Ų | 164.4 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -169.9 | 123.8 | 138.1 | -96.6 | 175.3 | -164.3 | -168.6 | 3.2 | 105.8 | ||||
| 488 | F | 27.3 | Very low | 28.2 | Very low | 160 Ų | 160 | 168.4 Ų | 168.4 | 70% | 0.702 | 82% | 0.818 | S | S | * | * | S | Bend | cis | -119.6 | 129.5 | 16.2 | -80.3 | -116.5 | 0 | 0 | 0 | 112.1 | ||
| 489 | V | 27.6 | Very low | 28.1 | Very low | 151 Ų | 151 | 169.8 Ų | 169.8 | 92% | 0.915 | 82% | 0.822 | S | S | * | * | trans | -143.3 | 71.7 | 155.8 | -177.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 490 | S | 27 | Very low | 28.1 | Very low | 94 Ų | 94 | 169 Ų | 169 | 66% | 0.657 | 82% | 0.822 | S | S | * | * | trans | 179.6 | 97.8 | 173.5 | 53.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 491 | D | 28.7 | Very low | 28.1 | Very low | 144 Ų | 144 | 164.7 Ų | 164.7 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -158.1 | 67.4 | 157.4 | -86.2 | -41.6 | 0 | 0 | 0 | 105.3 | ||||
| 492 | Y | 27.5 | Very low | 28.3 | Very low | 236 Ų | 236 | 160.2 Ų | 160.2 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -125.5 | 55.5 | -178.6 | -140.5 | -72.4 | 0 | 0 | 0 | 108.7 | ||||
| 493 | E | 29.4 | Very low | 28.6 | Very low | 184 Ų | 184 | 152.5 Ų | 152.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -142.2 | 131.8 | 179.4 | -106 | 168 | -156.5 | 0 | 0 | 109.8 | ||
| 494 | N | 26.9 | Very low | 28.7 | Very low | 142 Ų | 142 | 153.5 Ų | 153.5 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | 34.9 | 97 | 168.6 | -66.4 | -2.9 | 0 | 0 | 0 | 119.3 | ||||
| 495 | C | 27.8 | Very low | 28.6 | Very low | 135 Ų | 135 | 155.3 Ų | 155.3 | 91% | 0.912 | 81% | 0.808 | S | S | * | * | trans | -144.6 | 58.6 | 144.6 | -92.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 496 | D | 27.4 | Very low | 29 | Very low | 142 Ų | 142 | 157.5 Ų | 157.5 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | -67.3 | 163.9 | 154.5 | -74.6 | -63.5 | 0 | 0 | 0 | 110.2 | ||||
| 497 | D | 27.9 | Very low | 29.2 | Very low | 148 Ų | 148 | 157.2 Ų | 157.2 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | 52.5 | 82.6 | 174.7 | -76.1 | -29.2 | 0 | 0 | 0 | 118.3 | ||||
| 498 | W | 31.6 | Very low | 29.4 | Very low | 246 Ų | 246 | 153.5 Ų | 153.5 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | trans | -138.5 | 102.7 | 140.4 | -83.8 | 102.3 | 0 | 0 | 0 | 112.6 | ||||
| 499 | N | 27.4 | Very low | 29.7 | Very low | 134 Ų | 134 | 152.6 Ų | 152.6 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | trans | -131 | 102.4 | 171.4 | 172.1 | 20.9 | 0 | 0 | 0 | 110.6 | ||||
| 500 | I | 30 | Very low | 30 | Very low | 148 Ų | 148 | 156.1 Ų | 156.1 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | -158.7 | 112.9 | 158.4 | -91.2 | 132.5 | 0 | 0 | 0 | 104.6 | ||||
| 501 | S | 30.3 | Very low | 30.4 | Very low | 100 Ų | 100 | 156.7 Ų | 156.7 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | 77.4 | 78.1 | 59.3 | -69.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 502 | S | 32.5 | Very low | 30.5 | Very low | 126 Ų | 126 | 160.6 Ų | 160.6 | 88% | 0.881 | 80% | 0.804 | S | S | * | * | trans | -155.4 | 126 | 145 | 64.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 503 | G | 31.4 | Very low | 30.8 | Very low | 76 Ų | 76 | 155.8 Ų | 155.8 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | cis | 134.2 | 80.2 | -17.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 504 | Q | 32.5 | Very low | 31 | Very low | 191 Ų | 191 | 152.8 Ų | 152.8 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -146 | 119.8 | 157.5 | -114.1 | 163.9 | 19.1 | 0 | 0 | 111.9 | ||||
| 505 | R | 29.4 | Very low | 31.4 | Very low | 203 Ų | 203 | 150.2 Ų | 150.2 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -87.8 | 149.8 | 175.7 | -67.1 | 173.9 | 173.3 | 145.6 | -0.6 | 110 | ||||
| 506 | V | 33.7 | Very low | 31.9 | Very low | 152 Ų | 152 | 152.7 Ų | 152.7 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | -114.6 | 122.7 | 128.5 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 507 | R | 30.4 | Very low | 32.3 | Very low | 151 Ų | 151 | 151.7 Ų | 151.7 | 57% | 0.57 | 76% | 0.762 | S | S | * | * | trans | -96.7 | 132.8 | 178.5 | 165.6 | -164.2 | -85.4 | 170.2 | -5.7 | 107.5 | K509 | R507-K509 HydrophobicContact CG-CG 4.02Š| ||
| 508 | N | 31.5 | Very low | 32.8 | Very low | 160 Ų | 160 | 149 Ų | 149 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | -122.7 | 130.3 | 150.5 | -142 | 2.3 | 0 | 0 | 0 | 109.4 | ||||
| 509 | K | 33.6 | Very low | 33.2 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 61% | 0.613 | 74% | 0.74 | S | S | * | * | trans | -123.8 | 131.3 | 178.3 | -82.3 | -177.8 | 170.1 | -170 | 0 | 106.9 | R507 | R507-K509 HydrophobicContact CG-CG 4.02Š| ||
| 510 | Y | 33.7 | Very low | 33.7 | Very low | 226 Ų | 226 | 147.3 Ų | 147.3 | 89% | 0.886 | 75% | 0.747 | S | S | * | * | trans | -153.3 | 148.6 | 144.2 | -93.4 | -65.6 | 0 | 0 | 0 | 110.9 | ||||
| 511 | S | 34.2 | Very low | 34 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | 17.8 | 127.2 | 164.7 | -75.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 512 | R | 31.2 | Very low | 34.8 | Very low | 226 Ų | 226 | 143.3 Ų | 143.3 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | cis | 65.5 | 141.7 | 16.3 | -143.7 | -161.8 | -179.4 | 166.3 | 3.1 | 116.1 | ||||
| 513 | L | 33.3 | Very low | 35.1 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | trans | 74.5 | 136.7 | -172.3 | -76.2 | 69 | 0 | 0 | 0 | 112.2 | ||||
| 514 | D | 33.4 | Very low | 35.4 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 65% | 0.652 | 73% | 0.729 | S | S | * | * | cis | -136.4 | 159.3 | -2.2 | -91.9 | -43.5 | 0 | 0 | 0 | 109.5 | ||||
| 515 | S | 36.3 | Very low | 35.6 | Very low | 88 Ų | 88 | 142.3 Ų | 142.3 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | 60.2 | 131.7 | 61.1 | -140.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 516 | Y | 37.3 | Very low | 36 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | cis | -155.6 | 146 | 48.7 | -111.4 | -97.6 | 0 | 0 | 0 | 112.6 | ||||
| 517 | D | 37.6 | Very low | 36.2 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | trans | 53.1 | 165.6 | 138.8 | -88.1 | -17.3 | 0 | 0 | 0 | 121.7 | ||||
| 518 | D | 38.3 | Very low | 36.4 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 49% | 0.492 | 72% | 0.719 | S | S | . | * | cis | -152.7 | 160.2 | 19.4 | -133.9 | -30.1 | 0 | 0 | 0 | 113.5 | ||||
| 519 | R | 38.3 | Very low | 36.5 | Very low | 201 Ų | 201 | 142.4 Ų | 142.4 | 76% | 0.758 | 71% | 0.712 | S | S | * | * | trans | 37.2 | 130 | 149.2 | -75.3 | 157.7 | -129.4 | 176.1 | 15 | 119.5 | ||||
| 520 | V | 39.3 | Very low | 36.6 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | cis | -147 | 150 | 20.3 | 179.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 521 | G | 35.4 | Very low | 36.7 | Very low | 60 Ų | 60 | 133 Ų | 133 | 62% | 0.619 | 69% | 0.687 | S | S | * | * | cis | 139.1 | 135.2 | 8.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 522 | P | 48 | Very low | 36.6 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | trans | -98.4 | -177.7 | -152.4 | 41.1 | -39.9 | 0 | 0 | 0 | 114.4 | ||||
| 523 | P | 39.4 | Very low | 36.9 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 66% | 0.657 | S | S | * | * | -122.4 | 129.2 | 102.5 | 35.2 | -31.8 | 0 | 0 | 0 | 112.2 | |||||
| 524 | H | 37.5 | Very low | 36.9 | Very low | 155 Ų | 155 | 127.7 Ų | 127.7 | 72% | 0.718 | 66% | 0.657 | S | S | * | * | 70.1 | 141.6 | 94.4 | -61.7 | -66.7 | 0 | 0 | 0 | 113.7 | |||||
| 525 | S | 36.6 | Very low | 37.2 | Very low | 102 Ų | 102 | 125 Ų | 125 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | cis | -151.6 | 139.7 | 23.9 | 47.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 526 | H | 37.5 | Very low | 37.4 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 70% | 0.699 | 66% | 0.656 | S | S | * | * | trans | 44.5 | 123.4 | 148.1 | -61.3 | -72 | 0 | 0 | 0 | 121.4 | ||||
| 527 | H | 37.6 | Very low | 37.4 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 74% | 0.741 | 66% | 0.655 | S | S | * | * | 75.6 | 128.6 | 58.6 | -69.3 | 2.3 | 0 | 0 | 0 | 114.4 | |||||
| 528 | H | 34.4 | Very low | 37.4 | Very low | 166 Ų | 166 | 127.9 Ų | 127.9 | 77% | 0.769 | 65% | 0.654 | S | S | * | * | cis | 92.7 | 143.5 | 20.7 | -162.7 | 73.8 | 0 | 0 | 0 | 115.8 | ||||
| 529 | R | 34.1 | Very low | 37.2 | Very low | 192 Ų | 192 | 129.4 Ų | 129.4 | 73% | 0.725 | 66% | 0.662 | S | S | * | * | trans | 76.7 | 164.2 | -178.1 | -48.8 | 177.4 | 157.9 | 166.4 | -8.3 | 115.6 | ||||
| 530 | H | 34.6 | Very low | 37.2 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 54% | 0.542 | 66% | 0.661 | S | S | . | * | cis | -140.1 | 178.4 | 11.2 | -99.1 | -101.5 | 0 | 0 | 0 | 109.7 | ||||
| 531 | A | 37.2 | Very low | 37 | Very low | 51 Ų | 51 | 124.6 Ų | 124.6 | 42% | 0.421 | 65% | 0.653 | S | S | . | * | cis | 165.7 | 167.3 | -38.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 532 | F | 31.8 | Very low | 37.1 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 61% | 0.614 | 66% | 0.658 | S | S | * | * | trans | 73 | 159.4 | 152.3 | -96.8 | -148.9 | 0 | 0 | 0 | 118 | N426 | N426-F532 VanDerWaalsContact C-CB 3.47Å; N426-F532 PolarHBondContact N-O 2.74Å; N426-F532 WeakPolarHBondContact O-CB 3.18Å | ||
| 533 | L | 36.1 | Very low | 36.4 | Very low | 66 Ų | 66 | 130.1 Ų | 130.1 | 35% | 0.346 | 66% | 0.662 | S | S | . | * | cis | -179.3 | 118.5 | -8.8 | -179.1 | 75.3 | 0 | 0 | 0 | 112 | D424 S425 | D424-L533 VanDerWaalsContact C-C 3.44Å; D424-L533 CarbonylContact C-O 3.24Å; S425-L533 CarbonylContact C-O 3.45Å; S425-L533 VanDerWaalsContact C-O 3.24Å; S425-L533 WeakPolarHBondContact CA-O 3.35Å; S425-L533 PolarHBondContact N-O 3.08Å | ||
| 534 | E | 34.8 | Very low | 36.2 | Very low | 150 Ų | 150 | 132 Ų | 132 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | trans | 47.2 | 118.3 | 136.1 | -129.7 | 151.4 | -151.9 | 0 | 0 | 118.7 | D424 | D424-E534 CarbonylContact O-C 3.5Š| ||
| 535 | S | 38.9 | Very low | 36.1 | Very low | 64 Ų | 64 | 129.5 Ų | 129.5 | 45% | 0.448 | 66% | 0.659 | S | S | . | * | 156.3 | 168.1 | 64.7 | 51 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 536 | H | 40.5 | Very low | 36 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 81% | 0.81 | 66% | 0.66 | S | S | * | * | trans | 69.5 | 147.4 | 152.7 | -66.7 | -48.7 | 0 | 0 | 0 | 120.4 | ||||
| 537 | K | 38.4 | Very low | 35.8 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 70% | 0.704 | 67% | 0.665 | S | S | * | * | cis | -171.4 | 141.5 | -26.6 | -157.6 | -151.6 | 170.8 | -155.2 | 0 | 110.4 | ||||
| 538 | L | 36.6 | Very low | 35.7 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 63% | 0.634 | 66% | 0.664 | S | S | * | * | trans | 76.9 | 141 | 159.7 | -74.8 | -177.3 | 0 | 0 | 0 | 122.5 | ||||
| 539 | D | 34.9 | Very low | 35.7 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 66% | 0.658 | 66% | 0.658 | S | S | * | * | trans | 81.3 | 114.8 | 139.1 | -66.3 | -22 | 0 | 0 | 0 | 124.6 | ||||
| 540 | I | 37.4 | Very low | 35.8 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 74% | 0.744 | 66% | 0.661 | S | S | * | * | trans | 87.2 | 95.3 | 131.2 | -64.8 | 170.8 | 0 | 0 | 0 | 119.5 | ||||
| 541 | S | 36 | Very low | 35.7 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 67% | 0.669 | S | S | * | * | 78.8 | 146.9 | 126.1 | -64.2 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 542 | D | 36.1 | Very low | 35.9 | Very low | 137 Ų | 137 | 132 Ų | 132 | 73% | 0.733 | 68% | 0.68 | S | S | * | * | trans | 80.9 | 107.8 | 146.1 | -65.5 | -19.4 | 0 | 0 | 0 | 121.9 | ||||
| 543 | N | 34 | Very low | 36.1 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 77% | 0.77 | 68% | 0.679 | S | S | * | * | trans | 71.5 | 102.7 | 138.4 | -58.6 | -47.3 | 0 | 0 | 0 | 121 | ||||
| 544 | E | 34.3 | Very low | 36.2 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.724 | 70% | 0.702 | S | S | * | * | -24.7 | 149.8 | 126.8 | -84.1 | -92.9 | 109.3 | 0 | 0 | 113.7 | |||||
| 545 | P | 35.6 | Very low | 36.5 | Very low | 102 Ų | 102 | 138 Ų | 138 | 66% | 0.662 | 71% | 0.705 | S | S | * | * | -158.9 | -171.7 | 57.2 | 45.1 | -24.6 | 0 | 0 | 0 | 118.3 | |||||
| 546 | E | 34.3 | Very low | 36.5 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | 70.1 | 112.4 | 152.5 | -61.7 | -132.7 | 126 | 0 | 0 | 117.6 | ||||
| 547 | H | 33.8 | Very low | 36.6 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 79% | 0.787 | 71% | 0.711 | S | S | * | * | 83.5 | 154.8 | 84.1 | -113 | 83.3 | 0 | 0 | 0 | 113.8 | |||||
| 548 | S | 35.5 | Very low | 36.5 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | trans | 67.5 | 147.8 | 179.9 | 82 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 549 | D | 35.3 | Very low | 36.3 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | cis | -166.9 | 158.3 | -19.5 | -121.2 | -59.7 | 0 | 0 | 0 | 109.8 | ||||
| 550 | Q | 36.5 | Very low | 36.5 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | trans | 63.2 | 159.1 | 147.2 | -76.4 | 154 | 53.9 | 0 | 0 | 118.6 | ||||
| 551 | F | 32.3 | Very low | 36.4 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 72% | 0.715 | 72% | 0.724 | S | S | * | * | cis | -167.8 | 177.2 | -9.2 | 162.9 | -123.1 | 0 | 0 | 0 | 108.6 | ||||
| 552 | V | 41 | Very low | 36.3 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 66% | 0.655 | 73% | 0.733 | S | S | * | * | trans | 63.3 | 111.8 | -173.5 | -51.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 553 | D | 35.1 | Very low | 36 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | cis | 65.5 | 117.9 | 39.3 | -57.2 | -58 | 0 | 0 | 0 | 115 | ||||
| 554 | E | 38.5 | Very low | 36.2 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | -152.8 | 134.1 | 124.6 | -167.7 | 76.4 | -160.3 | 0 | 0 | 108.6 | |||||
| 555 | Y | 41.3 | Very low | 36.1 | Very low | 192 Ų | 192 | 131.4 Ų | 131.4 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | trans | -55.5 | 167.7 | -179.2 | -60.2 | -97.7 | 0 | 0 | 0 | 114 | ||||
| 556 | A | 40 | Very low | 36 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 74% | 0.744 | 74% | 0.735 | S | S | * | * | cis | -161 | -177.6 | 16.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 557 | S | 40.8 | Very low | 36.3 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | cis | -177.6 | 160.7 | -21.2 | -101.5 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 558 | D | 37.1 | Very low | 36.3 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | cis | -152.2 | -175.9 | 2.9 | -119.5 | 13.6 | 0 | 0 | 0 | 110.2 | ||||
| 559 | S | 31.6 | Very low | 36.5 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | -116.6 | -169.1 | 172.1 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 560 | P | 40.4 | Very low | 36.4 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | cis | -108.4 | -111.2 | -48.2 | 34.9 | -27.3 | 0 | 0 | 0 | 110.4 | ||||
| 561 | I | 33.9 | Very low | 36.6 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | trans | 87.2 | 108.1 | 161.9 | -56.7 | 173.3 | 0 | 0 | 0 | 118.3 | ||||
| 562 | L | 34 | Very low | 36.8 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | 63.7 | 144.3 | 147.7 | -65.5 | 171.3 | 0 | 0 | 0 | 122.3 | ||||
| 563 | S | 29.9 | Very low | 36.7 | Very low | 100 Ų | 100 | 146.1 Ų | 146.1 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | -87.1 | 179.3 | 156.4 | 65.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 564 | P | 38.7 | Very low | 36.9 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | cis | -135.6 | -150.5 | -1.9 | 28.2 | -1.6 | 0 | 0 | 0 | 111.7 | ||||
| 565 | V | 33.4 | Very low | 36.8 | Very low | 118 Ų | 118 | 146.5 Ų | 146.5 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | trans | 79.5 | 118.3 | 152 | 172.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 566 | R | 33 | Very low | 36.4 | Very low | 213 Ų | 213 | 145.2 Ų | 145.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 31.4 | 119.7 | 149 | -61.1 | 176.6 | 176.8 | -170.5 | 0.5 | 118.6 | ||||
| 567 | R | 40.6 | Very low | 36.3 | Very low | 250 Ų | 250 | 145.3 Ų | 145.3 | 94% | 0.943 | 77% | 0.771 | S | S | * | * | -124.2 | 140.5 | 108 | -66.7 | -169.3 | -176.3 | 177.5 | 3.8 | 109.7 | |||||
| 568 | R | 33.9 | Very low | 36 | Very low | 218 Ų | 218 | 147.1 Ų | 147.1 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | trans | -109.1 | 130.9 | 164.3 | -74.6 | -179.6 | 175.5 | 175.8 | -5.1 | 106.7 | ||||
| 569 | F | 38.8 | Very low | 36.3 | Very low | 200 Ų | 200 | 146.1 Ų | 146.1 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -150.2 | 87 | 152.8 | -95.5 | -81.8 | 0 | 0 | 0 | 102.5 | ||||
| 570 | D | 34.2 | Very low | 36.9 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | 75.5 | 78.7 | 72.3 | -161.4 | 8.2 | 0 | 0 | 0 | 110.2 | |||||
| 571 | D | 40.5 | Very low | 37.4 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -150.9 | 78.2 | 170 | -160.1 | -10.1 | 0 | 0 | 0 | 108.1 | ||||
| 572 | S | 35.8 | Very low | 38.2 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | -136 | 47.9 | -175.2 | 67.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 573 | L | 38.7 | Very low | 39.3 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | -133.8 | 7.3 | -175.6 | -77.6 | 179.2 | 0 | 0 | 0 | 116.9 | ||||
| 574 | F | 39.4 | Very low | 40.9 | Very low | 194 Ų | 194 | 138.2 Ų | 138.2 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | trans | -130.4 | 93.8 | 175.9 | -71.2 | -70.9 | 0 | 0 | 0 | 114.8 | ||||
| 575 | P | 36.4 | Very low | 42.4 | Very low | 103 Ų | 103 | 137 Ų | 137 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | trans | -77.9 | 154.9 | 152.8 | 33.7 | -31.9 | 0 | 0 | 0 | 110.8 | ||||
| 576 | N | 33.4 | Very low | 44.3 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 88% | 0.882 | 71% | 0.713 | S | S | * | * | trans | 78.1 | 92 | 175.2 | -48.8 | -42.2 | 0 | 0 | 0 | 117.3 | ||||
| 577 | A | 37.6 | Very low | 46.4 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 76% | 0.76 | 70% | 0.696 | S | S | * | * | trans | -134.3 | 115.6 | 145.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | V579 | A577-V579 PolarHBondContact O-N 2.75Š| ||
| 578 | S | 35.5 | Very low | 48.2 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 91% | 0.909 | 67% | 0.673 | S | S | * | * | trans | -81.2 | 83.4 | -176.4 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | S580 | S578-S580 PolarHBondContact O-N 2.92Š| ||
| 579 | V | 43.4 | Very low | 50.5 | Low | 127 Ų | 127 | 117 Ų | 117 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 121.4 | 171.3 | -177 | 0 | 0 | 0 | 0 | 108.9 | A577 | A577-V579 PolarHBondContact O-N 2.75Š|
| 580 | S | 44.4 | Very low | 52.5 | Low | 94 Ų | 94 | 109.7 Ų | 109.7 | 66% | 0.657 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 140.4 | 172.7 | 41.1 | 0 | 0 | 0 | 0 | 110.5 | S578 T582 | S578-S580 PolarHBondContact O-N 2.92Å; S580-T582 PolarHBondContact O-N 3.16Å |
| 581 | P | 50.1 | Low | 54.8 | Low | 94 Ų | 94 | 112.1 Ų | 112.1 | 61% | 0.61 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 131.5 | -178.5 | 26.5 | -34.3 | 0 | 0 | 0 | 110.4 | ||
| 582 | T | 50.1 | Low | 56.9 | Low | 63 Ų | 63 | 112 Ų | 112 | 39% | 0.387 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -75 | 158.2 | -179.5 | 70.6 | 0 | 0 | 0 | 0 | 110.9 | S580 S584 D585 L586 | S580-T582 PolarHBondContact O-N 3.16Å; T582-S584 WeakPolarHBondContact CB-OG 3.25Å; T582-S584 PolarHBondContact O-N 3.08Å; T582-S584 PolarHBondContact OG1-OG 3.16Å; T582-D585 WeakPolarHBondContact CB-OD2 3.4Å; T582-D585 PolarHBondContact N-OD2 3.34Å; T582-D585 WeakPolarHBondContact O-CB 3.46Å; T582-D585 PolarHBondContact O-N 2.87Å; T582-D585 PolarHBondContact OG1-N 2.94Å; T582-D585 PolarHBondContact OG1-OD2 3.04Å; T582-L586 PolarHBondContact O-N 3.17Å |
| 583 | E | 58.6 | Low | 59.5 | Low | 132 Ų | 132 | 107.5 Ų | 107.5 | 62% | 0.617 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.7 | -29 | 175.5 | -154.1 | -157 | 159.6 | 0 | 0 | 111.9 | K587 | E583-K587 WeakPolarHBondContact O-CB 3.3Å; E583-K587 WeakPolarHBondContact O-CG 3.35Å; E583-K587 PolarHBondContact O-N 2.94Å; E583-K587 WeakPolarHBondContact OE1-CE 3.31Å; E583-K587 IonicContact OE1-NZ 2.71Å; E583-K587 PolarHBondContact OE1-NZ 3.14Å; E583-K587 IonicContact OE2-NZ 3.48Å; E583-K587 PolarHBondContact OE2-NZ 3.02Å |
| 584 | S | 61.8 | Low | 61.6 | Low | 78 Ų | 78 | 106.1 Ų | 106.1 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.8 | -43.8 | 169.6 | 11.6 | 0 | 0 | 0 | 0 | 112.9 | T582 K587 H588 | T582-S584 WeakPolarHBondContact CB-OG 3.25Å; T582-S584 PolarHBondContact O-N 3.08Å; T582-S584 PolarHBondContact OG1-OG 3.16Å; S584-K587 PolarHBondContact O-N 3.25Å; S584-H588 WeakPolarHBondContact O-CB 3.49Å; S584-H588 PolarHBondContact O-N 3.36Å |
| 585 | D | 71.6 | Confident | 63.4 | Low | 83 Ų | 83 | 104.7 Ų | 104.7 | 44% | 0.444 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66 | -40.7 | -179.9 | -60.7 | -52.2 | 0 | 0 | 0 | 111.4 | T582 H588 R589 | T582-D585 WeakPolarHBondContact CB-OD2 3.4Å; T582-D585 PolarHBondContact N-OD2 3.34Å; T582-D585 WeakPolarHBondContact O-CB 3.46Å; T582-D585 PolarHBondContact O-N 2.87Å; T582-D585 PolarHBondContact OG1-N 2.94Å; T582-D585 PolarHBondContact OG1-OD2 3.04Å; D585-H588 PolarHBondContact O-N 3.12Å; D585-R589 VanDerWaalsContact O-CB 3.28Å; D585-R589 WeakPolarHBondContact O-CB 3.49Å; D585-R589 PolarHBondContact O-N 2.89Å |
| 586 | L | 72.5 | Confident | 65.7 | Low | 94 Ų | 94 | 104 Ų | 104 | 49% | 0.492 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 174.6 | -61.6 | 179.4 | 0 | 0 | 0 | 111 | T582 H588 R589 E590 | T582-L586 PolarHBondContact O-N 3.17Å; L586-H588 VanDerWaalsContact C-N 3.31Å; L586-H588 PolarHBondContact O-N 2.84Å; L586-R589 PolarHBondContact O-N 3.46Å; L586-E590 VanDerWaalsContact O-CB 3.31Å; L586-E590 WeakPolarHBondContact O-CB 3.28Å; L586-E590 PolarHBondContact O-N 2.81Å |
| 587 | K | 76.8 | Confident | 68.1 | Low | 103 Ų | 103 | 96.2 Ų | 96.2 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -35.6 | 175.9 | -73.6 | 168.1 | -177.9 | 166.9 | 0 | 112.5 | E583 S584 R591 | E583-K587 WeakPolarHBondContact O-CB 3.3Å; E583-K587 WeakPolarHBondContact O-CG 3.35Å; E583-K587 PolarHBondContact O-N 2.94Å; E583-K587 WeakPolarHBondContact OE1-CE 3.31Å; E583-K587 IonicContact OE1-NZ 2.71Å; E583-K587 PolarHBondContact OE1-NZ 3.14Å; E583-K587 IonicContact OE2-NZ 3.48Å; E583-K587 PolarHBondContact OE2-NZ 3.02Å; S584-K587 PolarHBondContact O-N 3.25Å; K587-R591 VanDerWaalsContact O-CG 3.25Å; K587-R591 WeakPolarHBondContact O-CG 3.07Å; K587-R591 PolarHBondContact O-N 3.29Å |
| 588 | H | 79.2 | Confident | 70.7 | Confident | 100 Ų | 100 | 93.8 Ų | 93.8 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75.5 | -40.2 | 177.2 | -176.7 | 84.4 | 0 | 0 | 0 | 112.4 | S584 D585 L586 R591 R592 | S584-H588 WeakPolarHBondContact O-CB 3.49Å; S584-H588 PolarHBondContact O-N 3.36Å; D585-H588 PolarHBondContact O-N 3.12Å; L586-H588 VanDerWaalsContact C-N 3.31Å; L586-H588 PolarHBondContact O-N 2.84Å; H588-R591 PolarHBondContact O-N 3.09Å; H588-R592 VanDerWaalsContact CD2-CZ 3.48Å; H588-R592 PolarHBondContact CD2-NE 3.17Å; H588-R592 VanDerWaalsContact CD2-NE 3.31Å; H588-R592 WeakPolarHBondContact NE2-CD 3.38Å; H588-R592 PolarHBondContact NE2-NE 3.44Å; H588-R592 WeakPolarHBondContact O-CG 3.46Å; H588-R592 PolarHBondContact O-N 3.37Å; H588-R592 VanDerWaalsContact O-N 3.14Å |
| 589 | R | 80.9 | Confident | 73.3 | Confident | 84 Ų | 84 | 87.8 Ų | 87.8 | 32% | 0.317 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.5 | -49.8 | 171 | -176.5 | 177.3 | -179.2 | -175.4 | -2.4 | 111 | D585 L586 R591 R592 R593 L601 E734 | D585-R589 VanDerWaalsContact O-CB 3.28Å; D585-R589 WeakPolarHBondContact O-CB 3.49Å; D585-R589 PolarHBondContact O-N 2.89Å; L586-R589 PolarHBondContact O-N 3.46Å; R589-R591 VanDerWaalsContact C-N 3.34Å; R589-R591 PolarHBondContact O-N 3.05Å; R589-R592 WeakPolarHBondContact O-CB 3.42Å; R589-R592 PolarHBondContact O-N 3Å; R589-R592 VanDerWaalsContact O-N 3.09Å; R589-R593 WeakPolarHBondContact O-CG 3.36Å; R589-R593 PolarHBondContact O-N 2.89Å; R589-L601 VanDerWaalsContact CZ-CD1 3.49Å; R589-E734 IonicContact CZ-OE2 3.53Å; R589-E734 VanDerWaalsContact CZ-OE2 3.25Å; R589-E734 IonicContact NE-OE2 2.74Å; R589-E734 PolarHBondContact NE-OE2 3.18Å; R589-E734 VanDerWaalsContact NH2-CB 3.33Å; R589-E734 VanDerWaalsContact NH2-CD 3.32Å; R589-E734 VanDerWaalsContact NH2-CG 3.33Å; R589-E734 PolarHBondContact NH2-O 2.81Å; R589-E734 IonicContact NH2-OE2 3.91Å; R589-E734 PolarHBondContact NH2-OE2 2.96Å |
| 590 | E | 80.8 | Confident | 75.5 | Confident | 46 Ų | 46 | 83.3 Ų | 83.3 | 22% | 0.215 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.3 | -37.3 | -178.5 | -173.1 | 51.7 | -144.6 | 0 | 0 | 112.9 | L586 R593 K594 T600 | L586-E590 VanDerWaalsContact O-CB 3.31Å; L586-E590 WeakPolarHBondContact O-CB 3.28Å; L586-E590 PolarHBondContact O-N 2.81Å; E590-R593 PolarHBondContact O-N 3.42Å; E590-K594 HydrophobicContact CG-CD 4.48Å; E590-K594 PolarHBondContact O-N 2.83Å; E590-K594 VanDerWaalsContact O-N 3.07Å; E590-K594 VanDerWaalsContact OE1-CE 3.27Å; E590-K594 WeakPolarHBondContact OE1-CE 3.41Å; E590-K594 IonicContact OE1-NZ 2.73Å; E590-K594 PolarHBondContact OE1-NZ 3.05Å; E590-T600 WeakPolarHBondContact OE1-CG2 3.47Å |
| 591 | R | 83.1 | Confident | 77.6 | Confident | 187 Ų | 187 | 81.5 Ų | 81.5 | 71% | 0.706 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 171.4 | -74.3 | 170.2 | -174.1 | -175.6 | 2.9 | 112.5 | K587 H588 R589 H595 | K587-R591 VanDerWaalsContact O-CG 3.25Å; K587-R591 WeakPolarHBondContact O-CG 3.07Å; K587-R591 PolarHBondContact O-N 3.29Å; H588-R591 PolarHBondContact O-N 3.09Å; R589-R591 VanDerWaalsContact C-N 3.34Å; R589-R591 PolarHBondContact O-N 3.05Å; R591-H595 PolarHBondContact O-N 2.98Å; R591-H595 VanDerWaalsContact O-N 3.16Å |
| 592 | R | 84.4 | Confident | 79.4 | Confident | 144 Ų | 144 | 80.5 Ų | 80.5 | 54% | 0.543 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 177.1 | -71.2 | -176.5 | -67.7 | -178.6 | -1.2 | 111.6 | H588 R589 H595 L596 | H588-R592 VanDerWaalsContact CD2-CZ 3.48Å; H588-R592 PolarHBondContact CD2-NE 3.17Å; H588-R592 VanDerWaalsContact CD2-NE 3.31Å; H588-R592 WeakPolarHBondContact NE2-CD 3.38Å; H588-R592 PolarHBondContact NE2-NE 3.44Å; H588-R592 WeakPolarHBondContact O-CG 3.46Å; H588-R592 PolarHBondContact O-N 3.37Å; H588-R592 VanDerWaalsContact O-N 3.14Å; R589-R592 WeakPolarHBondContact O-CB 3.42Å; R589-R592 PolarHBondContact O-N 3Å; R589-R592 VanDerWaalsContact O-N 3.09Å; R592-H595 PolarHBondContact O-N 3.18Å; R592-L596 WeakPolarHBondContact O-CG 3.25Å; R592-L596 PolarHBondContact O-N 3.46Å |
| 593 | R | 90 | Very high | 81.1 | Confident | 3 Ų | 3 | 82.4 Ų | 82.4 | 1% | 0.011 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.2 | -50.6 | 176.5 | -70.5 | -178.9 | 64.5 | 81.1 | 5.9 | 112.1 | R589 E590 H595 L596 G597 L598 P599 D732 E734 | R589-R593 WeakPolarHBondContact O-CG 3.36Å; R589-R593 PolarHBondContact O-N 2.89Å; E590-R593 PolarHBondContact O-N 3.42Å; R593-H595 VanDerWaalsContact C-N 3.34Å; R593-H595 PolarHBondContact O-N 3.21Å; R593-L596 PolarHBondContact O-N 2.98Å; R593-G597 PolarHBondContact O-N 2.67Å; R593-G597 VanDerWaalsContact O-N 3.16Å; R593-L598 CarbonylContact C-O 3.58Å; R593-L598 HydrophobicContact CB-CB 4.02Å; R593-L598 HydrophobicContact CG-CB 4.45Å; R593-L598 PolarHBondContact O-N 2.85Å; R593-P599 PolarHBondContact NE-O 3.01Å; R593-P599 PolarHBondContact NH2-O 2.71Å; R593-D732 IonicContact CZ-OD1 2.61Å; R593-D732 IonicContact CZ-OD2 2.7Å; R593-D732 IonicContact NH1-OD1 3.49Å; R593-D732 PolarHBondContact NH1-OD1 2.95Å; R593-D732 VanDerWaalsContact NH1-OD1 3.08Å; R593-D732 IonicContact NH1-OD2 3.81Å; R593-D732 PolarHBondContact NH1-OD2 3.05Å; R593-D732 IonicContact NH2-OD1 2.92Å; R593-D732 IonicContact NH2-OD2 3.61Å; R593-D732 PolarHBondContact NH2-OD2 2.94Å; R593-E734 WeakPolarHBondContact CD-OE2 3.4Å; R593-E734 IonicContact CZ-OE2 3.82Å; R593-E734 IonicContact NE-OE2 3.79Å; R593-E734 IonicContact NH1-OE2 3.32Å; R593-E734 PolarHBondContact NH1-OE2 3.41Å |
| 594 | K | 83 | Confident | 82.4 | Confident | 113 Ų | 113 | 81.5 Ų | 81.5 | 49% | 0.491 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.7 | -38 | 177.9 | -79.4 | 174 | 161.7 | 122.1 | 0 | 113.6 | E590 L596 G597 H662 | E590-K594 HydrophobicContact CG-CD 4.48Å; E590-K594 PolarHBondContact O-N 2.83Å; E590-K594 VanDerWaalsContact O-N 3.07Å; E590-K594 VanDerWaalsContact OE1-CE 3.27Å; E590-K594 WeakPolarHBondContact OE1-CE 3.41Å; E590-K594 IonicContact OE1-NZ 2.73Å; E590-K594 PolarHBondContact OE1-NZ 3.05Å; K594-L596 VanDerWaalsContact C-N 3.31Å; K594-L596 PolarHBondContact O-N 2.98Å; K594-G597 PolarHBondContact O-N 2.62Å; K594-H662 PolarHBondContact O-CE1 3.37Å |
| 595 | H | 78.4 | Confident | 83.8 | Confident | 164 Ų | 164 | 80.6 Ų | 80.6 | 76% | 0.759 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.8 | -32.6 | 175.1 | -173.5 | 79.3 | 0 | 0 | 0 | 113 | R591 R592 R593 G597 | R591-H595 PolarHBondContact O-N 2.98Å; R591-H595 VanDerWaalsContact O-N 3.16Å; R592-H595 PolarHBondContact O-N 3.18Å; R593-H595 VanDerWaalsContact C-N 3.34Å; R593-H595 PolarHBondContact O-N 3.21Å; H595-G597 VanDerWaalsContact C-N 3.34Å |
| 596 | L | 83.4 | Confident | 84.8 | Confident | 88 Ų | 88 | 76.7 Ų | 76.7 | 46% | 0.461 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -80.5 | -12.1 | 177 | -65.2 | 171.3 | 0 | 0 | 0 | 113.8 | R592 R593 K594 L598 | R592-L596 WeakPolarHBondContact O-CG 3.25Å; R592-L596 PolarHBondContact O-N 3.46Å; R593-L596 PolarHBondContact O-N 2.98Å; K594-L596 VanDerWaalsContact C-N 3.31Å; K594-L596 PolarHBondContact O-N 2.98Å; L596-L598 HydrophobicContact CB-CD1 4.2Å; L596-L598 HydrophobicContact CB-CG 4.01Å; L596-L598 HydrophobicContact CD1-CD1 4.12Å |
| 597 | G | 85.3 | Confident | 85.8 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 19.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R593 K594 H595 R658 H662 | R593-G597 PolarHBondContact O-N 2.67Å; R593-G597 VanDerWaalsContact O-N 3.16Å; K594-G597 PolarHBondContact O-N 2.62Å; H595-G597 VanDerWaalsContact C-N 3.34Å; G597-R658 PolarHBondContact O-NE 3.29Å; G597-R658 PolarHBondContact O-NH2 3.39Å; G597-H662 VanDerWaalsContact CA-CG 3.4Å; G597-H662 WeakPolarHBondContact CA-ND1 3.44Å |
| 598 | L | 91.6 | Very high | 86.6 | Confident | 40 Ų | 40 | 67.3 Ų | 67.3 | 21% | 0.209 | 31% | 0.314 | C | S | . | . | trans | -85.8 | 142.7 | 172.5 | -58 | 177 | 0 | 0 | 0 | 109.8 | R593 L596 L609 | R593-L598 CarbonylContact C-O 3.58Å; R593-L598 HydrophobicContact CB-CB 4.02Å; R593-L598 HydrophobicContact CG-CB 4.45Å; R593-L598 PolarHBondContact O-N 2.85Å; L596-L598 HydrophobicContact CB-CD1 4.2Å; L596-L598 HydrophobicContact CB-CG 4.01Å; L596-L598 HydrophobicContact CD1-CD1 4.12Å; L598-L609 HydrophobicContact CD2-CD1 3.64Å | ||
| 599 | P | 90.9 | Very high | 87.4 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.032 | 29% | 0.292 | C | S | . | . | trans | -73.8 | 175.9 | -176.5 | 33.2 | -38.8 | 0 | 0 | 0 | 112.7 | R593 L609 E703 C705 | R593-P599 PolarHBondContact NE-O 3.01Å; R593-P599 PolarHBondContact NH2-O 2.71Å; P599-L609 HydrophobicContact CG-CD2 3.48Å; P599-L609 VanDerWaalsContact CG-CD2 3.48Å; P599-E703 WeakPolarHBondContact CA-OE2 3.4Å; P599-E703 HydrophobicContact CB-CB 4.11Å; P599-E703 WeakPolarHBondContact CB-OE2 3.33Å; P599-C705 HydrophobicContact CB-CB 4.17Å; P599-C705 HydrophobicContact CG-CB 4.06Å | ||
| 600 | T | 89.2 | Confident | 88.1 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 20% | 0.202 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 145.3 | 162.8 | 59.3 | 0 | 0 | 0 | 0 | 110.2 | E590 E703 Y707 | E590-T600 WeakPolarHBondContact OE1-CG2 3.47Å; T600-E703 VanDerWaalsContact CG2-OE1 3.28Å; T600-E703 WeakPolarHBondContact CG2-OE1 3.47Å; T600-E703 PolarHBondContact N-OE2 3.47Å; T600-E703 VanDerWaalsContact OG1-CD 3.3Å; T600-E703 PolarHBondContact OG1-OE1 3.4Å; T600-E703 PolarHBondContact OG1-OE2 2.87Å; T600-Y707 WeakPolarHBondContact O-CE1 3.32Å; T600-Y707 PolarHBondContact O-OH 3.31Å; T600-Y707 PolarHBondContact OG1-OH 3.17Å |
| 601 | L | 88.9 | Confident | 88.8 | Confident | 55 Ų | 55 | 57.2 Ų | 57.2 | 29% | 0.288 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 126.2 | 172.5 | -67.5 | 168 | 0 | 0 | 0 | 109.6 | R589 D732 E734 | R589-L601 VanDerWaalsContact CZ-CD1 3.49Å; L601-D732 VanDerWaalsContact CD2-OD2 3.25Å; L601-D732 WeakPolarHBondContact CD2-OD2 3.49Å; L601-E734 HydrophobicContact CD1-CB 4.28Å; L601-E734 HydrophobicContact CD2-CB 4.32Å |
| 602 | K | 87.8 | Confident | 89.4 | Confident | 73 Ų | 73 | 48.7 Ų | 48.7 | 32% | 0.317 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -101.1 | 130.7 | 172.1 | -63.2 | 179 | -169.1 | 164.2 | 0 | 108.1 | D700 Y707 | K602-D700 IonicContact NZ-OD2 2.9Å; K602-D700 PolarHBondContact NZ-OD2 3.47Å; K602-Y707 HydrophobicContact CB-CD1 3.81Å; K602-Y707 HydrophobicContact CB-CE1 3.91Å; K602-Y707 HydrophobicContact CD-CD1 3.65Å; K602-Y707 HydrophobicContact CD-CD2 3.91Å; K602-Y707 HydrophobicContact CD-CE1 3.62Å; K602-Y707 HydrophobicContact CD-CE2 3.89Å; K602-Y707 HydrophobicContact CD-CG 3.76Å; K602-Y707 VanDerWaalsContact CE-CE2 3.46Å; K602-Y707 VanDerWaalsContact CE-CZ 3.41Å; K602-Y707 HydrophobicContact CG-CD1 3.84Å; K602-Y707 HydrophobicContact CG-CE1 3.57Å; K602-Y707 HydrophobicContact CG-CG 4.45Å; K602-Y707 VanDerWaalsContact NZ-CD2 3.34Å |
| 603 | P | 84.6 | Confident | 90 | Very high | 104 Ų | 104 | 41.9 Ų | 41.9 | 68% | 0.675 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 152.6 | 178.6 | 27.8 | -34.9 | 0 | 0 | 0 | 110.4 | H605 | P603-H605 PolarHBondContact O-N 3.23Å; P603-H605 PolarHBondContact O-ND1 3.07Å |
| 604 | D | 87.1 | Confident | 90.3 | Very high | 113 Ų | 113 | 44.3 Ų | 44.3 | 60% | 0.604 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 15 | 176.9 | -46.2 | -41.3 | 0 | 0 | 0 | 115.8 | I710 | D604-I710 WeakPolarHBondContact O-CG1 3.37Å; D604-I710 PolarHBondContact O-N 3.35Å |
| 605 | H | 91.2 | Very high | 91 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.8 | 178.6 | -63 | 70.2 | 0 | 0 | 0 | 111.7 | P603 Y707 L708 | P603-H605 PolarHBondContact O-N 3.23Å; P603-H605 PolarHBondContact O-ND1 3.07Å; H605-Y707 HydrophobicContact CB-CD1 4.4Å; H605-Y707 PolarHBondContact CD2-O 3.09Å; H605-L708 CarbonylContact C-O 3.38Å; H605-L708 WeakPolarHBondContact CA-O 3.47Å |
| 606 | V | 92.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 127.6 | 169.8 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | L708 I710 V713 V731 L736 L741 | V606-L708 PolarHBondContact N-O 2.94Å; V606-L708 PolarHBondContact O-N 2.79Å; V606-I710 HydrophobicContact CG2-CG1 4.15Å; V606-V713 HydrophobicContact CB-CG2 3.99Å; V606-V713 HydrophobicContact CG2-CG2 3.85Å; V606-V731 HydrophobicContact CG1-CG1 3.72Å; V606-L736 HydrophobicContact CB-CD2 4.44Å; V606-L736 HydrophobicContact CG1-CD2 3.88Å; V606-L736 HydrophobicContact CG1-CG 4.29Å; V606-L736 HydrophobicContact CG2-CD2 3.66Å; V606-L741 HydrophobicContact CG2-CD2 3.83Å |
| 607 | G | 93.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 122.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D732 S735 | G607-D732 WeakPolarHBondContact O-CB 3.34Å; G607-D732 PolarHBondContact O-N 3.14Å; G607-S735 PolarHBondContact N-OG 3.27Å |
| 608 | I | 94.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 112.1 | 167.4 | -57.3 | 174.7 | 0 | 0 | 0 | 108.4 | I688 C705 T706 F721 L724 L725 E730 | I608-I688 HydrophobicContact CD1-CD1 4.22Å; I608-C705 CarbonylContact O-C 3.44Å; I608-C705 WeakPolarHBondContact O-CA 3.39Å; I608-C705 PolarHBondContact O-SG 2.95Å; I608-T706 PolarHBondContact N-O 2.84Å; I608-T706 PolarHBondContact O-N 3.23Å; I608-F721 HydrophobicContact CD1-CE2 4.37Å; I608-F721 HydrophobicContact CD1-CZ 4.4Å; I608-L724 HydrophobicContact CD1-CB 4.29Å; I608-L724 HydrophobicContact CD1-CD1 4.45Å; I608-L725 HydrophobicContact CD1-CD2 4.28Å; I608-L725 HydrophobicContact CG1-CD2 4.3Å; I608-L725 HydrophobicContact CG2-CD2 3.79Å; I608-E730 CarbonylContact C-O 3.59Å; I608-E730 WeakPolarHBondContact CA-O 3.49Å |
| 609 | L | 95.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 125.3 | -178.2 | -49.6 | -179.5 | 0 | 0 | 0 | 110.2 | L598 P599 R658 G729 E730 D732 | L598-L609 HydrophobicContact CD2-CD1 3.64Å; P599-L609 HydrophobicContact CG-CD2 3.48Å; P599-L609 VanDerWaalsContact CG-CD2 3.48Å; L609-R658 HydrophobicContact CD1-CG 4.37Å; L609-G729 WeakPolarHBondContact O-CA 3.32Å; L609-E730 HydrophobicContact CB-CB 4.28Å; L609-E730 HydrophobicContact CD1-CG 4.35Å; L609-E730 PolarHBondContact N-O 3.16Å; L609-E730 PolarHBondContact O-N 2.87Å; L609-D732 HydrophobicContact CD1-CB 4.28Å; L609-D732 HydrophobicContact CD2-CB 4.08Å; L609-D732 HydrophobicContact CG-CB 4.13Å |
| 610 | S | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 137.9 | 170.5 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | T612 R658 W682 A683 N685 G704 | S610-T612 PolarHBondContact OG-N 3.31Å; S610-T612 PolarHBondContact OG-O 3.07Å; S610-R658 WeakPolarHBondContact O-CD 3.34Å; S610-R658 PolarHBondContact O-NH1 3.19Å; S610-W682 WeakPolarHBondContact O-CZ3 3.47Å; S610-A683 VanDerWaalsContact CB-O 3.32Å; S610-A683 WeakPolarHBondContact CB-O 3.31Å; S610-A683 PolarHBondContact OG-O 3.36Å; S610-N685 PolarHBondContact OG-N 3.09Å; S610-G704 PolarHBondContact N-O 3.32Å |
| 611 | H | 96 | Very high | 92.7 | Very high | 16 Ų | 16 | 46 Ų | 46 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | trans | -96.8 | 3.2 | 165.7 | -64.4 | -156.4 | 0 | 0 | 0 | 112.3 | T654 F655 T657 R658 A661 C728 E730 | H611-T654 HydrophobicContact CB-CG2 4.46Å; H611-F655 WeakPolarHBondContact CB-O 3.09Å; H611-F655 PolarHBondContact O-N 2.59Å; H611-T657 WeakPolarHBondContact ND1-CA 3.35Å; H611-T657 PolarHBondContact ND1-N 3.26Å; H611-R658 PolarHBondContact CE1-N 2.67Å; H611-R658 VanDerWaalsContact CE1-N 3.28Å; H611-R658 PolarHBondContact ND1-N 3.37Å; H611-R658 PolarHBondContact NE2-N 2.79Å; H611-A661 WeakPolarHBondContact O-CB 3.38Å; H611-C728 HydrophobicContact CB-CB 3.84Å; H611-C728 WeakPolarHBondContact CB-O 3.44Å; H611-C728 PolarHBondContact N-O 2.91Å; H611-C728 VanDerWaalsContact N-O 3.13Å; H611-E730 IonicContact CD2-OE2 2.68Å; H611-E730 IonicContact CE1-OE2 3.46Å; H611-E730 PolarHBondContact CE1-OE2 3.44Å; H611-E730 IonicContact NE2-OE2 3.38Å; H611-E730 PolarHBondContact NE2-OE2 2.94Å | ||
| 612 | T | 96.1 | Very high | 92.8 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 5% | 0.049 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 133 | -179.8 | -50.5 | 0 | 0 | 0 | 0 | 112.2 | S610 F652 V653 T654 A683 | S610-T612 PolarHBondContact OG-N 3.31Å; S610-T612 PolarHBondContact OG-O 3.07Å; T612-F652 HydrophobicContact CG2-CB 4.18Å; T612-V653 CarbonylContact C-O 3.42Å; T612-V653 WeakPolarHBondContact CA-O 3.42Å; T612-T654 PolarHBondContact OG1-OG1 2.68Å; T612-A683 HydrophobicContact CG2-CB 4.13Å; T612-A683 PolarHBondContact O-N 3.05Å; T612-A683 VanDerWaalsContact O-O 3.04Å |
| 613 | V | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 149.5 | 170.4 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | I615 F652 V653 F655 A661 A664 V665 V680 A681 W682 | V613-I615 HydrophobicContact CG2-CD1 4.41Å; V613-I615 HydrophobicContact CG2-CG1 4.15Å; V613-F652 CarbonylContact O-C 3.58Å; V613-F652 WeakPolarHBondContact O-CA 3.39Å; V613-V653 HydrophobicContact CG2-CB 4.08Å; V613-V653 PolarHBondContact N-O 3.32Å; V613-V653 PolarHBondContact O-N 2.98Å; V613-F655 HydrophobicContact CG1-CE2 4.49Å; V613-F655 HydrophobicContact CG2-CE2 3.82Å; V613-A661 HydrophobicContact CG1-CB 4.11Å; V613-A664 HydrophobicContact CG1-CB 4.32Å; V613-A664 HydrophobicContact CG2-CB 4.32Å; V613-V665 HydrophobicContact CG1-CG2 3.76Å; V613-V680 HydrophobicContact CB-CG1 4.24Å; V613-V680 HydrophobicContact CG2-CG1 4.34Å; V613-A681 CarbonylContact C-O 3.59Å; V613-A681 WeakPolarHBondContact CA-O 3.45Å; V613-A681 WeakPolarHBondContact CB-O 3.33Å; V613-W682 HydrophobicContact CG1-CE3 4.11Å; V613-W682 HydrophobicContact CG1-CZ3 4.25Å |
| 614 | F | 96.9 | Very high | 93.3 | Very high | 54 Ų | 54 | 43 Ų | 43 | 24% | 0.237 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 134 | 167 | 168.8 | -95.1 | 0 | 0 | 0 | 109.6 | C650 F652 V680 A681 A683 | F614-C650 HydrophobicContact CD2-CB 4.43Å; F614-C650 HydrophobicContact CE2-CB 3.47Å; F614-C650 VanDerWaalsContact CE2-CB 3.47Å; F614-C650 HydrophobicContact CZ-CB 3.71Å; F614-F652 HydrophobicContact CB-CD1 4.27Å; F614-F652 HydrophobicContact CB-CE1 4.14Å; F614-F652 HydrophobicContact CD2-CD1 4.35Å; F614-F652 AromaticContact CD2-CE1 3.85Å; F614-F652 HydrophobicContact CD2-CE1 3.85Å; F614-F652 HydrophobicContact CD2-CE2 4.44Å; F614-F652 AromaticContact CD2-CZ 3.9Å; F614-F652 HydrophobicContact CD2-CZ 3.9Å; F614-F652 HydrophobicContact CG-CE1 4.47Å; F614-V680 WeakPolarHBondContact O-CA 3.25Å; F614-A681 PolarHBondContact N-O 3.41Å; F614-A681 PolarHBondContact O-N 2.88Å; F614-A683 HydrophobicContact CB-CB 4.21Å |
| 615 | I | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 113.7 | 173.9 | -52.9 | -178.2 | 0 | 0 | 0 | 108.7 | V613 L618 L627 C650 A651 V653 M668 I678 K679 V680 | V613-I615 HydrophobicContact CG2-CD1 4.41Å; V613-I615 HydrophobicContact CG2-CG1 4.15Å; I615-L618 HydrophobicContact CB-CD1 4.23Å; I615-L618 HydrophobicContact CG2-CD1 3.95Å; I615-L618 HydrophobicContact CG2-CD2 3.83Å; I615-L618 HydrophobicContact CG2-CG 3.93Å; I615-L627 HydrophobicContact CD1-CD1 4.14Å; I615-C650 CarbonylContact O-C 3.55Å; I615-C650 WeakPolarHBondContact O-CA 3.21Å; I615-C650 VanDerWaalsContact O-CB 3.32Å; I615-C650 WeakPolarHBondContact O-CB 3.46Å; I615-A651 PolarHBondContact N-O 2.97Å; I615-A651 PolarHBondContact O-N 3.19Å; I615-V653 HydrophobicContact CD1-CB 4.46Å; I615-V653 HydrophobicContact CD1-CG2 3.81Å; I615-V653 HydrophobicContact CG1-CG2 4.4Å; I615-M668 HydrophobicContact CD1-CE 4.39Å; I615-I678 HydrophobicContact CG2-CB 4.2Å; I615-I678 HydrophobicContact CG2-CD1 3.76Å; I615-I678 HydrophobicContact CG2-CG2 4.48Å; I615-K679 CarbonylContact C-O 3.45Å; I615-K679 WeakPolarHBondContact CA-O 3.44Å; I615-V680 HydrophobicContact CG1-CG1 4.36Å; I615-V680 HydrophobicContact CG1-CG2 4.18Å; I615-V680 HydrophobicContact CG2-CG2 4.23Å |
| 616 | G | 95.2 | Very high | 93.7 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 173.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L618 G649 I678 K679 | G616-L618 PolarHBondContact O-N 3.28Å; G616-L618 VanDerWaalsContact O-N 3.12Å; G616-G649 CarbonylContact C-O 3.38Å; G616-I678 WeakPolarHBondContact O-CA 3.34Å; G616-I678 WeakPolarHBondContact O-CB 3.26Å; G616-K679 PolarHBondContact N-O 3.5Å; G616-K679 PolarHBondContact O-N 3.25Å |
| 617 | H | 94.2 | Very high | 93.8 | Very high | 124 Ų | 124 | 42.7 Ų | 42.7 | 57% | 0.574 | 21% | 0.212 | S | C | * | . | S | Bend | trans | 62 | 9.4 | 178.6 | -52.9 | 126.8 | 0 | 0 | 0 | 116.6 | G649 E677 | H617-G649 PolarHBondContact N-O 3.03Å; H617-E677 VanDerWaalsContact CB-O 3.29Å; H617-E677 WeakPolarHBondContact CB-O 3.41Å |
| 618 | L | 93.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | trans | -57.2 | 147 | 176.3 | -64.1 | 170.4 | 0 | 0 | 0 | 112.6 | I615 G616 K620 L622 L627 F644 G649 A651 M673 I678 | I615-L618 HydrophobicContact CB-CD1 4.23Å; I615-L618 HydrophobicContact CG2-CD1 3.95Å; I615-L618 HydrophobicContact CG2-CD2 3.83Å; I615-L618 HydrophobicContact CG2-CG 3.93Å; G616-L618 PolarHBondContact O-N 3.28Å; G616-L618 VanDerWaalsContact O-N 3.12Å; L618-K620 PolarHBondContact O-N 3.46Å; L618-L622 HydrophobicContact CB-CD2 4.35Å; L618-L622 HydrophobicContact CD2-CD2 3.71Å; L618-L622 HydrophobicContact CG-CD2 4.45Å; L618-L627 HydrophobicContact CD1-CD1 4.37Å; L618-L627 HydrophobicContact CD1-CD2 3.67Å; L618-L627 HydrophobicContact CD2-CD1 4.04Å; L618-F644 HydrophobicContact CB-CE2 4.02Å; L618-F644 HydrophobicContact CD1-CD2 4.1Å; L618-F644 HydrophobicContact CD1-CE2 3.87Å; L618-G649 PolarHBondContact N-O 3.36Å; L618-G649 VanDerWaalsContact O-CA 3.28Å; L618-G649 WeakPolarHBondContact O-CA 3.29Å; L618-A651 HydrophobicContact CD1-CB 3.87Å; L618-M673 HydrophobicContact CD2-CE 4.14Å; L618-I678 HydrophobicContact CD2-CG2 3.59Å; L618-I678 HydrophobicContact CG-CG2 4.31Å | ||
| 619 | H | 92.7 | Very high | 93.8 | Very high | 59 Ų | 59 | 47 Ų | 47 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | trans | -64.8 | 134.1 | 176.5 | -165.2 | -107.6 | 0 | 0 | 0 | 111.3 | Q621 L622 | H619-Q621 PolarHBondContact CE1-OE1 3.43Å; H619-Q621 PolarHBondContact ND1-N 3.41Å; H619-Q621 PolarHBondContact O-N 2.94Å; H619-L622 HydrophobicContact CB-CB 4.38Å; H619-L622 VanDerWaalsContact O-CB 3.24Å; H619-L622 WeakPolarHBondContact O-CB 3.19Å; H619-L622 PolarHBondContact O-N 3.03Å | ||
| 620 | K | 90.6 | Very high | 93.7 | Very high | 123 Ų | 123 | 49 Ų | 49 | 54% | 0.535 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -11.8 | -174.7 | -58.6 | -162.8 | -177.9 | -163.1 | 0 | 114.9 | L618 P646 P647 | L618-K620 PolarHBondContact O-N 3.46Å; K620-P646 WeakPolarHBondContact CB-O 3.28Å; K620-P646 WeakPolarHBondContact CG-O 3.44Å; K620-P647 WeakPolarHBondContact CE-O 3.29Å; K620-P647 PolarHBondContact NZ-O 3.05Å |
| 621 | Q | 88.7 | Confident | 93.6 | Very high | 170 Ų | 170 | 49 Ų | 49 | 79% | 0.794 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | 14.9 | 175 | -60.8 | 173.1 | -56.4 | 0 | 0 | 112.4 | H619 A623 | H619-Q621 PolarHBondContact CE1-OE1 3.43Å; H619-Q621 PolarHBondContact ND1-N 3.41Å; H619-Q621 PolarHBondContact O-N 2.94Å; Q621-A623 PolarHBondContact O-N 2.97Å |
| 622 | L | 90.6 | Very high | 93.5 | Very high | 16 Ų | 16 | 50.2 Ų | 50.2 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | trans | -63.8 | 130.4 | 172.9 | -177.6 | 62.4 | 0 | 0 | 0 | 109.2 | L618 H619 K626 L627 F644 M673 | L618-L622 HydrophobicContact CB-CD2 4.35Å; L618-L622 HydrophobicContact CD2-CD2 3.71Å; L618-L622 HydrophobicContact CG-CD2 4.45Å; H619-L622 HydrophobicContact CB-CB 4.38Å; H619-L622 VanDerWaalsContact O-CB 3.24Å; H619-L622 WeakPolarHBondContact O-CB 3.19Å; H619-L622 PolarHBondContact O-N 3.03Å; L622-K626 HydrophobicContact CD1-CB 4.23Å; L622-K626 HydrophobicContact CD1-CD 3.97Å; L622-K626 HydrophobicContact CD1-CG 4.21Å; L622-L627 HydrophobicContact CD2-CB 4.09Å; L622-L627 HydrophobicContact CD2-CD1 4.43Å; L622-F644 HydrophobicContact CB-CZ 4.18Å; L622-F644 WeakPolarHBondContact O-CE1 3.11Å; L622-M673 HydrophobicContact CD2-CE 4.34Å | ||
| 623 | A | 91.4 | Very high | 93.3 | Very high | 52 Ų | 52 | 56.6 Ų | 56.6 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | trans | -71.7 | 130.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q621 S625 K626 L627 | Q621-A623 PolarHBondContact O-N 2.97Å; A623-S625 VanDerWaalsContact C-N 3.27Å; A623-S625 PolarHBondContact O-N 3.32Å; A623-K626 HydrophobicContact CB-CB 4.35Å; A623-K626 WeakPolarHBondContact O-CA 3.32Å; A623-K626 WeakPolarHBondContact O-CB 3.37Å; A623-K626 PolarHBondContact O-N 2.75Å; A623-L627 PolarHBondContact O-N 2.95Å | ||
| 624 | E | 92.8 | Very high | 93 | Very high | 101 Ų | 101 | 59.5 Ų | 59.5 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -53.1 | -44.3 | 177.7 | -172.6 | -174.7 | 106 | 0 | 0 | 111.7 | K626 L627 T628 C642 F644 | E624-K626 PolarHBondContact O-N 3.02Å; E624-L627 WeakPolarHBondContact O-CA 3.36Å; E624-L627 WeakPolarHBondContact O-CB 3.27Å; E624-L627 PolarHBondContact O-N 2.83Å; E624-T628 PolarHBondContact O-N 3.04Å; E624-T628 PolarHBondContact O-OG1 3.49Å; E624-T628 VanDerWaalsContact O-OG1 3.13Å; E624-C642 VanDerWaalsContact CD-O 3.25Å; E624-C642 HydrophobicContact CG-CB 4.24Å; E624-F644 HydrophobicContact CB-CB 4.31Å; E624-F644 HydrophobicContact CG-CB 4.04Å |
| 625 | S | 93.7 | Very high | 92.7 | Very high | 58 Ų | 58 | 57 Ų | 57 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.1 | -31.4 | 175.4 | 52.9 | 0 | 0 | 0 | 0 | 114.2 | A623 A629 | A623-S625 VanDerWaalsContact C-N 3.27Å; A623-S625 PolarHBondContact O-N 3.32Å; S625-A629 WeakPolarHBondContact O-CB 3.49Å; S625-A629 PolarHBondContact O-N 3.06Å; S625-A629 VanDerWaalsContact O-N 3.07Å |
| 626 | K | 92.9 | Very high | 92.4 | Very high | 108 Ų | 108 | 63.8 Ų | 63.8 | 47% | 0.47 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -74 | -35.6 | 174.2 | -176.2 | 176.2 | 177.9 | -175.7 | 0 | 111.6 | L622 A623 E624 L630 | L622-K626 HydrophobicContact CD1-CB 4.23Å; L622-K626 HydrophobicContact CD1-CD 3.97Å; L622-K626 HydrophobicContact CD1-CG 4.21Å; A623-K626 HydrophobicContact CB-CB 4.35Å; A623-K626 WeakPolarHBondContact O-CA 3.32Å; A623-K626 WeakPolarHBondContact O-CB 3.37Å; A623-K626 PolarHBondContact O-N 2.75Å; E624-K626 PolarHBondContact O-N 3.02Å; K626-L630 HydrophobicContact CG-CD1 3.95Å; K626-L630 WeakPolarHBondContact O-CD1 3.32Å; K626-L630 VanDerWaalsContact O-CG 3.29Å; K626-L630 WeakPolarHBondContact O-CG 3.42Å; K626-L630 PolarHBondContact O-N 3.31Å |
| 627 | L | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.7 | -51.7 | 173 | 179.4 | 61.7 | 0 | 0 | 0 | 110.5 | I615 L618 L622 A623 E624 A629 L630 C631 A651 V653 M673 | I615-L627 HydrophobicContact CD1-CD1 4.14Å; L618-L627 HydrophobicContact CD1-CD1 4.37Å; L618-L627 HydrophobicContact CD1-CD2 3.67Å; L618-L627 HydrophobicContact CD2-CD1 4.04Å; L622-L627 HydrophobicContact CD2-CB 4.09Å; L622-L627 HydrophobicContact CD2-CD1 4.43Å; A623-L627 PolarHBondContact O-N 2.95Å; E624-L627 WeakPolarHBondContact O-CA 3.36Å; E624-L627 WeakPolarHBondContact O-CB 3.27Å; E624-L627 PolarHBondContact O-N 2.83Å; L627-A629 VanDerWaalsContact C-N 3.3Å; L627-A629 PolarHBondContact O-N 3.32Å; L627-L630 PolarHBondContact O-N 2.9Å; L627-L630 VanDerWaalsContact O-N 3.16Å; L627-C631 PolarHBondContact O-N 2.9Å; L627-C631 PolarHBondContact O-SG 3.45Å; L627-A651 HydrophobicContact CD2-CB 3.43Å; L627-A651 VanDerWaalsContact CD2-CB 3.43Å; L627-V653 HydrophobicContact CD2-CG2 4.42Å; L627-M673 HydrophobicContact CD1-CE 3.36Å |
| 628 | T | 94.7 | Very high | 92 | Very high | 37 Ų | 37 | 65.1 Ų | 65.1 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.7 | -42.9 | 178.5 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | E624 S632 V639 C642 | E624-T628 PolarHBondContact O-N 3.04Å; E624-T628 PolarHBondContact O-OG1 3.49Å; E624-T628 VanDerWaalsContact O-OG1 3.13Å; T628-S632 WeakPolarHBondContact O-CB 3.47Å; T628-S632 PolarHBondContact O-N 2.91Å; T628-S632 PolarHBondContact O-OG 3.47Å; T628-V639 HydrophobicContact CG2-CB 3.92Å; T628-V639 HydrophobicContact CG2-CG1 3.96Å; T628-V639 HydrophobicContact CG2-CG2 4.38Å; T628-C642 VanDerWaalsContact OG1-CB 3.31Å; T628-C642 WeakPolarHBondContact OG1-CB 3.44Å |
| 629 | A | 93.2 | Very high | 92.1 | Very high | 53 Ų | 53 | 65.9 Ų | 65.9 | 44% | 0.438 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.9 | -51.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S625 L627 C631 S632 E633 | S625-A629 WeakPolarHBondContact O-CB 3.49Å; S625-A629 PolarHBondContact O-N 3.06Å; S625-A629 VanDerWaalsContact O-N 3.07Å; L627-A629 VanDerWaalsContact C-N 3.3Å; L627-A629 PolarHBondContact O-N 3.32Å; A629-C631 PolarHBondContact O-N 2.89Å; A629-S632 PolarHBondContact O-N 3.39Å; A629-S632 VanDerWaalsContact O-N 3.11Å; A629-E633 WeakPolarHBondContact O-CB 3.49Å; A629-E633 PolarHBondContact O-N 2.94Å |
| 630 | L | 91.8 | Very high | 92.2 | Very high | 46 Ų | 46 | 67.8 Ų | 67.8 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.3 | -36.7 | -178.3 | -69.5 | 166.7 | 0 | 0 | 0 | 112.5 | K626 L627 S632 V634 M673 | K626-L630 HydrophobicContact CG-CD1 3.95Å; K626-L630 WeakPolarHBondContact O-CD1 3.32Å; K626-L630 VanDerWaalsContact O-CG 3.29Å; K626-L630 WeakPolarHBondContact O-CG 3.42Å; K626-L630 PolarHBondContact O-N 3.31Å; L627-L630 PolarHBondContact O-N 2.9Å; L627-L630 VanDerWaalsContact O-N 3.16Å; L630-S632 VanDerWaalsContact C-N 3.35Å; L630-V634 WeakPolarHBondContact O-CG2 3.44Å; L630-V634 PolarHBondContact O-N 3.11Å; L630-M673 HydrophobicContact CB-CE 4.4Å; L630-M673 HydrophobicContact CB-SD 4.33Å; L630-M673 HydrophobicContact CD1-CE 4.03Å; L630-M673 HydrophobicContact CD1-SD 3.57Å; L630-M673 VanDerWaalsContact CD1-SD 3.57Å |
| 631 | C | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 170.3 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | L627 A629 T635 V639 V653 F655 | L627-C631 PolarHBondContact O-N 2.9Å; L627-C631 PolarHBondContact O-SG 3.45Å; A629-C631 PolarHBondContact O-N 2.89Å; C631-T635 WeakPolarHBondContact O-CB 3.27Å; C631-T635 VanDerWaalsContact O-CG2 3.26Å; C631-T635 WeakPolarHBondContact O-CG2 3.43Å; C631-T635 PolarHBondContact O-N 3.41Å; C631-T635 PolarHBondContact O-OG1 2.93Å; C631-V639 HydrophobicContact CB-CG2 3.84Å; C631-V653 HydrophobicContact CB-CG1 4.4Å; C631-F655 HydrophobicContact CB-CE1 4.18Å; C631-F655 HydrophobicContact CB-CZ 4Å |
| 632 | S | 93.9 | Very high | 92.6 | Very high | 40 Ų | 40 | 58.8 Ų | 58.8 | 28% | 0.28 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71.5 | -36.3 | -178.9 | -51.8 | 0 | 0 | 0 | 0 | 112.3 | T628 A629 L630 E636 G637 | T628-S632 WeakPolarHBondContact O-CB 3.47Å; T628-S632 PolarHBondContact O-N 2.91Å; T628-S632 PolarHBondContact O-OG 3.47Å; A629-S632 PolarHBondContact O-N 3.39Å; A629-S632 VanDerWaalsContact O-N 3.11Å; L630-S632 VanDerWaalsContact C-N 3.35Å; S632-E636 PolarHBondContact O-N 2.98Å; S632-G637 WeakPolarHBondContact CA-O 3.38Å; S632-G637 PolarHBondContact O-N 3.42Å |
| 633 | E | 91.7 | Very high | 92.8 | Very high | 142 Ų | 142 | 61.8 Ų | 61.8 | 66% | 0.664 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.5 | -51.9 | 178 | -175.7 | 177 | 179 | 0 | 0 | 112.1 | A629 | A629-E633 WeakPolarHBondContact O-CB 3.49Å; A629-E633 PolarHBondContact O-N 2.94Å |
| 634 | V | 90.7 | Very high | 92.9 | Very high | 62 Ų | 62 | 60.5 Ų | 60.5 | 38% | 0.376 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.1 | -38.5 | -176 | 174.8 | 0 | 0 | 0 | 0 | 112.4 | L630 Q667 M668 | L630-V634 WeakPolarHBondContact O-CG2 3.44Å; L630-V634 PolarHBondContact O-N 3.11Å; V634-Q667 HydrophobicContact CG1-CB 3.86Å; V634-Q667 PolarHBondContact O-OE1 2.98Å; V634-M668 HydrophobicContact CB-CG 4.14Å; V634-M668 HydrophobicContact CB-SD 4.31Å; V634-M668 HydrophobicContact CG1-CG 3.69Å; V634-M668 HydrophobicContact CG1-SD 4.44Å |
| 635 | T | 91.1 | Very high | 93 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -90.6 | -5.5 | -172.2 | 65.4 | 0 | 0 | 0 | 0 | 114.6 | C631 G637 F655 R663 A664 M668 | C631-T635 WeakPolarHBondContact O-CB 3.27Å; C631-T635 VanDerWaalsContact O-CG2 3.26Å; C631-T635 WeakPolarHBondContact O-CG2 3.43Å; C631-T635 PolarHBondContact O-N 3.41Å; C631-T635 PolarHBondContact O-OG1 2.93Å; T635-G637 PolarHBondContact O-N 2.76Å; T635-G637 PolarHBondContact OG1-N 2.95Å; T635-F655 HydrophobicContact CG2-CE1 3.97Å; T635-F655 HydrophobicContact CG2-CZ 3.88Å; T635-F655 VanDerWaalsContact OG1-CE1 3.28Å; T635-F655 WeakPolarHBondContact OG1-CE1 3.35Å; T635-R663 PolarHBondContact O-NE 3.11Å; T635-R663 PolarHBondContact O-NH2 2.76Å; T635-A664 HydrophobicContact CG2-CB 3.63Å; T635-M668 HydrophobicContact CG2-SD 4.15Å |
| 636 | E | 90.8 | Very high | 92.9 | Very high | 143 Ų | 143 | 58.1 Ų | 58.1 | 67% | 0.668 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.2 | 50.6 | -166.9 | -37.6 | 161.7 | 157.1 | 0 | 0 | 111.3 | S632 R663 | S632-E636 PolarHBondContact O-N 2.98Å; E636-R663 PolarHBondContact O-NH2 2.88Å; E636-R663 IonicContact OE2-CZ 3.2Å; E636-R663 IonicContact OE2-NH1 2.66Å; E636-R663 PolarHBondContact OE2-NH1 2.72Å; E636-R663 IonicContact OE2-NH2 2.79Å; E636-R663 PolarHBondContact OE2-NH2 2.71Å |
| 637 | G | 88.5 | Confident | 92.8 | Very high | 12 Ų | 12 | 57.8 Ų | 57.8 | 12% | 0.124 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -149 | 138.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S632 T635 V639 | S632-G637 WeakPolarHBondContact CA-O 3.38Å; S632-G637 PolarHBondContact O-N 3.42Å; T635-G637 PolarHBondContact O-N 2.76Å; T635-G637 PolarHBondContact OG1-N 2.95Å; G637-V639 PolarHBondContact O-N 2.94Å |
| 638 | Q | 92.5 | Very high | 92.8 | Very high | 143 Ų | 143 | 66.4 Ų | 66.4 | 67% | 0.668 | 35% | 0.349 | S | S | * | . | trans | -70.1 | 126.1 | 178.2 | -174.6 | 175.5 | 13.2 | 0 | 0 | 110.7 | F655 A656 | Q638-F655 CarbonylContact O-C 3.6Å; Q638-F655 WeakPolarHBondContact O-CA 3.43Å; Q638-A656 HydrophobicContact CB-CB 4.05Å; Q638-A656 PolarHBondContact O-N 2.86Å | ||
| 639 | V | 95.2 | Very high | 92.8 | Very high | 18 Ų | 18 | 64.9 Ų | 64.9 | 11% | 0.109 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 128.1 | 165 | 175.6 | 0 | 0 | 0 | 0 | 109 | T628 C631 G637 E641 C642 V653 F655 | T628-V639 HydrophobicContact CG2-CB 3.92Å; T628-V639 HydrophobicContact CG2-CG1 3.96Å; T628-V639 HydrophobicContact CG2-CG2 4.38Å; C631-V639 HydrophobicContact CB-CG2 3.84Å; G637-V639 PolarHBondContact O-N 2.94Å; V639-E641 WeakPolarHBondContact CG1-O 3.44Å; V639-C642 HydrophobicContact CG1-CB 4.28Å; V639-V653 HydrophobicContact CB-CG1 4.42Å; V639-V653 HydrophobicContact CG1-CG1 3.71Å; V639-V653 HydrophobicContact CG2-CG1 3.81Å; V639-F655 HydrophobicContact CG2-CD1 3.9Å; V639-F655 HydrophobicContact CG2-CE1 3.63Å; V639-F655 HydrophobicContact CG2-CZ 4.32Å |
| 640 | I | 94.1 | Very high | 92.9 | Very high | 100 Ų | 100 | 62.6 Ų | 62.6 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -46.7 | 174.2 | -67.6 | -179.8 | 0 | 0 | 0 | 110.6 | T654 A656 | I640-T654 PolarHBondContact N-O 3.3Å; I640-A656 HydrophobicContact CD1-CB 3.76Å; I640-A656 HydrophobicContact CG1-CB 3.9Å |
| 641 | E | 93.7 | Very high | 93.2 | Very high | 90 Ų | 90 | 60.4 Ų | 60.4 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 139.8 | -178.7 | -167.4 | -169.6 | 162.8 | 0 | 0 | 110.5 | V639 N643 V653 T654 | V639-E641 WeakPolarHBondContact CG1-O 3.44Å; E641-N643 PolarHBondContact OE1-ND2 2.84Å; E641-V653 WeakPolarHBondContact O-CA 3.34Å; E641-T654 PolarHBondContact N-O 3.14Å; E641-T654 PolarHBondContact O-N 3.04Å |
| 642 | C | 94.5 | Very high | 93.3 | Very high | 13 Ų | 13 | 62.6 Ų | 62.6 | 9% | 0.088 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 91.6 | 171.6 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | E624 T628 V639 F644 F652 | E624-C642 VanDerWaalsContact CD-O 3.25Å; E624-C642 HydrophobicContact CG-CB 4.24Å; T628-C642 VanDerWaalsContact OG1-CB 3.31Å; T628-C642 WeakPolarHBondContact OG1-CB 3.44Å; V639-C642 HydrophobicContact CG1-CB 4.28Å; C642-F644 PolarHBondContact O-N 2.75Å; C642-F652 CarbonylContact C-O 3.48Å |
| 643 | N | 94.5 | Very high | 93.4 | Very high | 79 Ų | 79 | 60.7 Ų | 60.7 | 42% | 0.422 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 87.1 | -179.4 | -164.8 | -45.8 | 0 | 0 | 0 | 110.2 | E641 A651 F652 | E641-N643 PolarHBondContact OE1-ND2 2.84Å; N643-A651 VanDerWaalsContact O-CA 3.32Å; N643-A651 WeakPolarHBondContact O-CA 3.28Å; N643-F652 HydrophobicContact CB-CB 4.4Å; N643-F652 PolarHBondContact N-O 3.17Å; N643-F652 PolarHBondContact O-N 2.99Å |
| 644 | F | 94.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 11% | 0.114 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 138.3 | -179.9 | -177.2 | -129 | 0 | 0 | 0 | 112.4 | L618 L622 E624 C642 P646 C650 A651 | L618-F644 HydrophobicContact CB-CE2 4.02Å; L618-F644 HydrophobicContact CD1-CD2 4.1Å; L618-F644 HydrophobicContact CD1-CE2 3.87Å; L622-F644 HydrophobicContact CB-CZ 4.18Å; L622-F644 WeakPolarHBondContact O-CE1 3.11Å; E624-F644 HydrophobicContact CB-CB 4.31Å; E624-F644 HydrophobicContact CG-CB 4.04Å; C642-F644 PolarHBondContact O-N 2.75Å; F644-P646 HydrophobicContact CD1-CG 3.73Å; F644-P646 HydrophobicContact CE1-CB 3.97Å; F644-P646 HydrophobicContact CE1-CG 3.62Å; F644-P646 HydrophobicContact CZ-CB 4.4Å; F644-P646 HydrophobicContact CZ-CG 4.42Å; F644-P646 VanDerWaalsContact O-CD 3.31Å; F644-P646 WeakPolarHBondContact O-CD 3.37Å; F644-C650 VanDerWaalsContact CD2-O 3.29Å; F644-C650 WeakPolarHBondContact CD2-O 3.31Å; F644-A651 HydrophobicContact CD2-CB 4.09Å |
| 645 | I | 93.9 | Very high | 93.9 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 28% | 0.277 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 78.7 | -176.5 | -48.2 | 179.8 | 0 | 0 | 0 | 109.6 | P647 R648 G649 C650 F652 | I645-P647 VanDerWaalsContact C-CD 3.43Å; I645-R648 HydrophobicContact CB-CB 4.39Å; I645-R648 HydrophobicContact CG2-CB 3.93Å; I645-R648 HydrophobicContact CG2-CG 3.92Å; I645-R648 PolarHBondContact O-N 2.97Å; I645-G649 PolarHBondContact O-N 2.93Å; I645-G649 VanDerWaalsContact O-N 3.11Å; I645-C650 WeakPolarHBondContact CA-O 3.45Å; I645-C650 WeakPolarHBondContact CB-O 3.23Å; I645-C650 PolarHBondContact N-O 3.2Å; I645-F652 HydrophobicContact CD1-CD2 4.22Å; I645-F652 HydrophobicContact CD1-CE2 4.02Å |
| 646 | P | 92 | Very high | 94.1 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 36% | 0.357 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -41.1 | -174.4 | -21.9 | 24.6 | 0 | 0 | 0 | 115.9 | K620 F644 R648 G649 | K620-P646 WeakPolarHBondContact CB-O 3.28Å; K620-P646 WeakPolarHBondContact CG-O 3.44Å; F644-P646 HydrophobicContact CD1-CG 3.73Å; F644-P646 HydrophobicContact CE1-CB 3.97Å; F644-P646 HydrophobicContact CE1-CG 3.62Å; F644-P646 HydrophobicContact CZ-CB 4.4Å; F644-P646 HydrophobicContact CZ-CG 4.42Å; F644-P646 VanDerWaalsContact O-CD 3.31Å; F644-P646 WeakPolarHBondContact O-CD 3.37Å; P646-R648 VanDerWaalsContact C-N 3.25Å; P646-R648 PolarHBondContact O-N 3.31Å; P646-G649 PolarHBondContact O-N 3.31Å |
| 647 | P | 91.6 | Very high | 94.2 | Very high | 100 Ų | 100 | 49.5 Ų | 49.5 | 65% | 0.649 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -31.5 | -179.6 | -24.7 | 35.6 | 0 | 0 | 0 | 113.9 | K620 I645 | K620-P647 WeakPolarHBondContact CE-O 3.29Å; K620-P647 PolarHBondContact NZ-O 3.05Å; I645-P647 VanDerWaalsContact C-CD 3.43Å |
| 648 | R | 93 | Very high | 94.4 | Very high | 182 Ų | 182 | 49.5 Ų | 49.5 | 69% | 0.687 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -24.5 | -178.9 | -73.9 | -83.6 | -77.8 | 130.4 | -3.5 | 113 | I645 P646 C650 | I645-R648 HydrophobicContact CB-CB 4.39Å; I645-R648 HydrophobicContact CG2-CB 3.93Å; I645-R648 HydrophobicContact CG2-CG 3.92Å; I645-R648 PolarHBondContact O-N 2.97Å; P646-R648 VanDerWaalsContact C-N 3.25Å; P646-R648 PolarHBondContact O-N 3.31Å; R648-C650 VanDerWaalsContact CB-SG 3.52Å |
| 649 | G | 93.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 4% | 0.041 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 44 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112 | G616 H617 L618 I645 P646 | G616-G649 CarbonylContact C-O 3.38Å; H617-G649 PolarHBondContact N-O 3.03Å; L618-G649 PolarHBondContact N-O 3.36Å; L618-G649 VanDerWaalsContact O-CA 3.28Å; L618-G649 WeakPolarHBondContact O-CA 3.29Å; I645-G649 PolarHBondContact O-N 2.93Å; I645-G649 VanDerWaalsContact O-N 3.11Å; P646-G649 PolarHBondContact O-N 3.31Å |
| 650 | C | 96.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.034 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 161.2 | 178.2 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | F614 I615 F644 I645 R648 | F614-C650 HydrophobicContact CD2-CB 4.43Å; F614-C650 HydrophobicContact CE2-CB 3.47Å; F614-C650 VanDerWaalsContact CE2-CB 3.47Å; F614-C650 HydrophobicContact CZ-CB 3.71Å; I615-C650 CarbonylContact O-C 3.55Å; I615-C650 WeakPolarHBondContact O-CA 3.21Å; I615-C650 VanDerWaalsContact O-CB 3.32Å; I615-C650 WeakPolarHBondContact O-CB 3.46Å; F644-C650 VanDerWaalsContact CD2-O 3.29Å; F644-C650 WeakPolarHBondContact CD2-O 3.31Å; I645-C650 WeakPolarHBondContact CA-O 3.45Å; I645-C650 WeakPolarHBondContact CB-O 3.23Å; I645-C650 PolarHBondContact N-O 3.2Å; R648-C650 VanDerWaalsContact CB-SG 3.52Å |
| 651 | A | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 159.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I615 L618 L627 N643 F644 V653 | I615-A651 PolarHBondContact N-O 2.97Å; I615-A651 PolarHBondContact O-N 3.19Å; L618-A651 HydrophobicContact CD1-CB 3.87Å; L627-A651 HydrophobicContact CD2-CB 3.43Å; L627-A651 VanDerWaalsContact CD2-CB 3.43Å; N643-A651 VanDerWaalsContact O-CA 3.32Å; N643-A651 WeakPolarHBondContact O-CA 3.28Å; F644-A651 HydrophobicContact CD2-CB 4.09Å; A651-V653 HydrophobicContact CB-CG2 4.17Å |
| 652 | F | 96.7 | Very high | 94.5 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 21% | 0.206 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129 | 155.2 | -64 | -88.7 | 0 | 0 | 0 | 108 | T612 V613 F614 C642 N643 I645 A683 | T612-F652 HydrophobicContact CG2-CB 4.18Å; V613-F652 CarbonylContact O-C 3.58Å; V613-F652 WeakPolarHBondContact O-CA 3.39Å; F614-F652 HydrophobicContact CB-CD1 4.27Å; F614-F652 HydrophobicContact CB-CE1 4.14Å; F614-F652 HydrophobicContact CD2-CD1 4.35Å; F614-F652 AromaticContact CD2-CE1 3.85Å; F614-F652 HydrophobicContact CD2-CE1 3.85Å; F614-F652 HydrophobicContact CD2-CE2 4.44Å; F614-F652 AromaticContact CD2-CZ 3.9Å; F614-F652 HydrophobicContact CD2-CZ 3.9Å; F614-F652 HydrophobicContact CG-CE1 4.47Å; C642-F652 CarbonylContact C-O 3.48Å; N643-F652 HydrophobicContact CB-CB 4.4Å; N643-F652 PolarHBondContact N-O 3.17Å; N643-F652 PolarHBondContact O-N 2.99Å; I645-F652 HydrophobicContact CD1-CD2 4.22Å; I645-F652 HydrophobicContact CD1-CE2 4.02Å; F652-A683 HydrophobicContact CD1-CB 3.73Å; F652-A683 HydrophobicContact CE1-CB 3.88Å |
| 653 | V | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.3 | -176.9 | -178 | 0 | 0 | 0 | 0 | 108.4 | T612 V613 I615 L627 C631 V639 E641 A651 F655 | T612-V653 CarbonylContact C-O 3.42Å; T612-V653 WeakPolarHBondContact CA-O 3.42Å; V613-V653 HydrophobicContact CG2-CB 4.08Å; V613-V653 PolarHBondContact N-O 3.32Å; V613-V653 PolarHBondContact O-N 2.98Å; I615-V653 HydrophobicContact CD1-CB 4.46Å; I615-V653 HydrophobicContact CD1-CG2 3.81Å; I615-V653 HydrophobicContact CG1-CG2 4.4Å; L627-V653 HydrophobicContact CD2-CG2 4.42Å; C631-V653 HydrophobicContact CB-CG1 4.4Å; V639-V653 HydrophobicContact CB-CG1 4.42Å; V639-V653 HydrophobicContact CG1-CG1 3.71Å; V639-V653 HydrophobicContact CG2-CG1 3.81Å; E641-V653 WeakPolarHBondContact O-CA 3.34Å; A651-V653 HydrophobicContact CB-CG2 4.17Å; V653-F655 HydrophobicContact CG1-CD2 4.43Å; V653-F655 HydrophobicContact CG1-CE2 3.95Å; V653-F655 HydrophobicContact CG1-CZ 4.02Å |
| 654 | T | 96.4 | Very high | 94.6 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 121.5 | 178.7 | -56.5 | 0 | 0 | 0 | 0 | 109 | H611 T612 I640 E641 C728 | H611-T654 HydrophobicContact CB-CG2 4.46Å; T612-T654 PolarHBondContact OG1-OG1 2.68Å; I640-T654 PolarHBondContact N-O 3.3Å; E641-T654 PolarHBondContact N-O 3.14Å; E641-T654 PolarHBondContact O-N 3.04Å; T654-C728 HydrophobicContact CG2-CB 3.6Å |
| 655 | F | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 164.1 | 177.5 | -67.3 | -88.4 | 0 | 0 | 0 | 111.8 | H611 V613 C631 T635 Q638 V639 V653 T657 A660 A661 A664 | H611-F655 WeakPolarHBondContact CB-O 3.09Å; H611-F655 PolarHBondContact O-N 2.59Å; V613-F655 HydrophobicContact CG1-CE2 4.49Å; V613-F655 HydrophobicContact CG2-CE2 3.82Å; C631-F655 HydrophobicContact CB-CE1 4.18Å; C631-F655 HydrophobicContact CB-CZ 4Å; T635-F655 HydrophobicContact CG2-CE1 3.97Å; T635-F655 HydrophobicContact CG2-CZ 3.88Å; T635-F655 VanDerWaalsContact OG1-CE1 3.28Å; T635-F655 WeakPolarHBondContact OG1-CE1 3.35Å; Q638-F655 CarbonylContact O-C 3.6Å; Q638-F655 WeakPolarHBondContact O-CA 3.43Å; V639-F655 HydrophobicContact CG2-CD1 3.9Å; V639-F655 HydrophobicContact CG2-CE1 3.63Å; V639-F655 HydrophobicContact CG2-CZ 4.32Å; V653-F655 HydrophobicContact CG1-CD2 4.43Å; V653-F655 HydrophobicContact CG1-CE2 3.95Å; V653-F655 HydrophobicContact CG1-CZ 4.02Å; F655-T657 VanDerWaalsContact C-N 3.33Å; F655-A660 HydrophobicContact CB-CB 3.98Å; F655-A660 HydrophobicContact CD1-CB 3.86Å; F655-A660 HydrophobicContact CG-CB 4.05Å; F655-A661 HydrophobicContact CB-CB 4.35Å; F655-A661 HydrophobicContact CD2-CB 3.82Å; F655-A661 HydrophobicContact CG-CB 4.41Å; F655-A664 HydrophobicContact CE2-CB 3.59Å; F655-A664 HydrophobicContact CZ-CB 3.71Å |
| 656 | A | 93.8 | Very high | 94.5 | Very high | 37 Ų | 37 | 43 Ų | 43 | 31% | 0.306 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -80 | -9.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q638 I640 | Q638-A656 HydrophobicContact CB-CB 4.05Å; Q638-A656 PolarHBondContact O-N 2.86Å; I640-A656 HydrophobicContact CD1-CB 3.76Å; I640-A656 HydrophobicContact CG1-CB 3.9Å |
| 657 | T | 93.2 | Very high | 94.5 | Very high | 68 Ų | 68 | 45 Ų | 45 | 42% | 0.417 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -144.1 | 145.4 | 176.2 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | H611 F655 R659 A660 A661 | H611-T657 WeakPolarHBondContact ND1-CA 3.35Å; H611-T657 PolarHBondContact ND1-N 3.26Å; F655-T657 VanDerWaalsContact C-N 3.33Å; T657-R659 PolarHBondContact O-N 3.09Å; T657-A660 PolarHBondContact O-N 2.8Å; T657-A660 VanDerWaalsContact O-N 3.15Å; T657-A660 WeakPolarHBondContact OG1-CB 3.43Å; T657-A660 PolarHBondContact OG1-N 3.48Å; T657-A661 PolarHBondContact O-N 2.92Å |
| 658 | R | 93.1 | Very high | 94.5 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.2 | -39.4 | 172.5 | 176.7 | 58.1 | -176.7 | -157.2 | -5.2 | 112.5 | G597 L609 S610 H611 A660 A661 H662 E703 G704 | G597-R658 PolarHBondContact O-NE 3.29Å; G597-R658 PolarHBondContact O-NH2 3.39Å; L609-R658 HydrophobicContact CD1-CG 4.37Å; S610-R658 WeakPolarHBondContact O-CD 3.34Å; S610-R658 PolarHBondContact O-NH1 3.19Å; H611-R658 PolarHBondContact CE1-N 2.67Å; H611-R658 VanDerWaalsContact CE1-N 3.28Å; H611-R658 PolarHBondContact ND1-N 3.37Å; H611-R658 PolarHBondContact NE2-N 2.79Å; R658-A660 PolarHBondContact O-N 3.27Å; R658-A661 PolarHBondContact O-N 3.03Å; R658-H662 WeakPolarHBondContact O-CB 3.38Å; R658-H662 PolarHBondContact O-N 3.47Å; R658-E703 PolarHBondContact NH2-O 2.99Å; R658-G704 PolarHBondContact NH1-O 2.85Å |
| 659 | R | 92.9 | Very high | 94.5 | Very high | 139 Ų | 139 | 33.7 Ų | 33.7 | 53% | 0.525 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 178.8 | -168 | 177.8 | 71.6 | 172.1 | 2.3 | 112.6 | T657 R663 | T657-R659 PolarHBondContact O-N 3.09Å; R659-R663 WeakPolarHBondContact O-CB 3.03Å; R659-R663 WeakPolarHBondContact O-CG 3.24Å; R659-R663 PolarHBondContact O-N 3.16Å |
| 660 | A | 94.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.5 | -42.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F655 T657 R658 R663 A664 | F655-A660 HydrophobicContact CB-CB 3.98Å; F655-A660 HydrophobicContact CD1-CB 3.86Å; F655-A660 HydrophobicContact CG-CB 4.05Å; T657-A660 PolarHBondContact O-N 2.8Å; T657-A660 VanDerWaalsContact O-N 3.15Å; T657-A660 WeakPolarHBondContact OG1-CB 3.43Å; T657-A660 PolarHBondContact OG1-N 3.48Å; R658-A660 PolarHBondContact O-N 3.27Å; A660-R663 PolarHBondContact O-N 3.05Å; A660-A664 PolarHBondContact O-N 3Å |
| 661 | A | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | H611 V613 F655 T657 R658 A664 V665 W682 | H611-A661 WeakPolarHBondContact O-CB 3.38Å; V613-A661 HydrophobicContact CG1-CB 4.11Å; F655-A661 HydrophobicContact CB-CB 4.35Å; F655-A661 HydrophobicContact CD2-CB 3.82Å; F655-A661 HydrophobicContact CG-CB 4.41Å; T657-A661 PolarHBondContact O-N 2.92Å; R658-A661 PolarHBondContact O-N 3.03Å; A661-A664 VanDerWaalsContact O-CB 3.26Å; A661-A664 WeakPolarHBondContact O-CB 3.47Å; A661-A664 PolarHBondContact O-N 3.01Å; A661-A664 VanDerWaalsContact O-N 3.15Å; A661-V665 PolarHBondContact O-N 2.85Å; A661-V665 VanDerWaalsContact O-N 3.12Å; A661-W682 HydrophobicContact CB-CH2 3.95Å; A661-W682 HydrophobicContact CB-CZ3 3.58Å |
| 662 | H | 95 | Very high | 93.2 | Very high | 44 Ų | 44 | 46.9 Ų | 46.9 | 20% | 0.204 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 174.6 | -180 | -120.4 | 0 | 0 | 0 | 112 | K594 G597 R658 A664 V665 I666 W682 | K594-H662 PolarHBondContact O-CE1 3.37Å; G597-H662 VanDerWaalsContact CA-CG 3.4Å; G597-H662 WeakPolarHBondContact CA-ND1 3.44Å; R658-H662 WeakPolarHBondContact O-CB 3.38Å; R658-H662 PolarHBondContact O-N 3.47Å; H662-A664 VanDerWaalsContact C-N 3.31Å; H662-A664 PolarHBondContact O-N 3.22Å; H662-V665 PolarHBondContact O-N 2.9Å; H662-I666 VanDerWaalsContact CE1-CD1 3.45Å; H662-I666 WeakPolarHBondContact CE1-CD1 3.19Å; H662-I666 WeakPolarHBondContact NE2-CD1 3.43Å; H662-I666 PolarHBondContact O-N 3.37Å; H662-I666 VanDerWaalsContact O-N 3.12Å; H662-W682 HydrophobicContact CB-CH2 4Å; H662-W682 HydrophobicContact CB-CZ2 4.08Å |
| 663 | R | 94.8 | Very high | 92.5 | Very high | 55 Ų | 55 | 45.6 Ų | 45.6 | 21% | 0.208 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -37.7 | 172 | -77.3 | -160.4 | -67.7 | -164.4 | 5.9 | 112.3 | T635 E636 R659 A660 I666 Q667 | T635-R663 PolarHBondContact O-NE 3.11Å; T635-R663 PolarHBondContact O-NH2 2.76Å; E636-R663 PolarHBondContact O-NH2 2.88Å; E636-R663 IonicContact OE2-CZ 3.2Å; E636-R663 IonicContact OE2-NH1 2.66Å; E636-R663 PolarHBondContact OE2-NH1 2.72Å; E636-R663 IonicContact OE2-NH2 2.79Å; E636-R663 PolarHBondContact OE2-NH2 2.71Å; R659-R663 WeakPolarHBondContact O-CB 3.03Å; R659-R663 WeakPolarHBondContact O-CG 3.24Å; R659-R663 PolarHBondContact O-N 3.16Å; A660-R663 PolarHBondContact O-N 3.05Å; R663-I666 PolarHBondContact O-N 2.88Å; R663-Q667 VanDerWaalsContact O-CB 3.23Å; R663-Q667 WeakPolarHBondContact O-CB 3.3Å; R663-Q667 WeakPolarHBondContact O-CG 3.46Å; R663-Q667 PolarHBondContact O-N 2.93Å |
| 664 | A | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | V613 T635 F655 A660 A661 H662 I666 M668 | V613-A664 HydrophobicContact CG1-CB 4.32Å; V613-A664 HydrophobicContact CG2-CB 4.32Å; T635-A664 HydrophobicContact CG2-CB 3.63Å; F655-A664 HydrophobicContact CE2-CB 3.59Å; F655-A664 HydrophobicContact CZ-CB 3.71Å; A660-A664 PolarHBondContact O-N 3Å; A661-A664 VanDerWaalsContact O-CB 3.26Å; A661-A664 WeakPolarHBondContact O-CB 3.47Å; A661-A664 PolarHBondContact O-N 3.01Å; A661-A664 VanDerWaalsContact O-N 3.15Å; H662-A664 VanDerWaalsContact C-N 3.31Å; H662-A664 PolarHBondContact O-N 3.22Å; A664-I666 PolarHBondContact O-N 3.15Å; A664-M668 HydrophobicContact CB-SD 4.29Å; A664-M668 VanDerWaalsContact O-CB 3.23Å; A664-M668 WeakPolarHBondContact O-CB 3.45Å; A664-M668 PolarHBondContact O-N 3.3Å |
| 665 | V | 94.8 | Very high | 90.8 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 179.6 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | V613 A661 H662 D669 V680 W682 | V613-V665 HydrophobicContact CG1-CG2 3.76Å; A661-V665 PolarHBondContact O-N 2.85Å; A661-V665 VanDerWaalsContact O-N 3.12Å; H662-V665 PolarHBondContact O-N 2.9Å; V665-D669 WeakPolarHBondContact O-CB 3.31Å; V665-V680 HydrophobicContact CG2-CG1 4.25Å; V665-W682 HydrophobicContact CG2-CD2 3.91Å; V665-W682 HydrophobicContact CG2-CE3 4.31Å; V665-W682 HydrophobicContact CG2-CG 4.29Å; V665-W682 HydrophobicContact CG2-CZ2 4.24Å |
| 666 | I | 92.8 | Very high | 90.3 | Very high | 117 Ų | 117 | 57.9 Ų | 57.9 | 60% | 0.6 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -76.4 | -37.9 | -177.3 | -67.5 | 177.8 | 0 | 0 | 0 | 113.3 | H662 R663 A664 | H662-I666 VanDerWaalsContact CE1-CD1 3.45Å; H662-I666 WeakPolarHBondContact CE1-CD1 3.19Å; H662-I666 WeakPolarHBondContact NE2-CD1 3.43Å; H662-I666 PolarHBondContact O-N 3.37Å; H662-I666 VanDerWaalsContact O-N 3.12Å; R663-I666 PolarHBondContact O-N 2.88Å; A664-I666 PolarHBondContact O-N 3.15Å |
| 667 | Q | 91.6 | Very high | 90.1 | Very high | 98 Ų | 98 | 61.7 Ų | 61.7 | 46% | 0.458 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -99.2 | -21.4 | -169.8 | -60.9 | 175.6 | -48.8 | 0 | 0 | 114 | V634 R663 | V634-Q667 HydrophobicContact CG1-CB 3.86Å; V634-Q667 PolarHBondContact O-OE1 2.98Å; R663-Q667 VanDerWaalsContact O-CB 3.23Å; R663-Q667 WeakPolarHBondContact O-CB 3.3Å; R663-Q667 WeakPolarHBondContact O-CG 3.46Å; R663-Q667 PolarHBondContact O-N 2.93Å |
| 668 | M | 91.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.02 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -106.9 | -16.4 | -176.9 | -58.2 | -179.5 | 65.7 | 0 | 0 | 114.2 | I615 V634 T635 A664 S671 I678 V680 | I615-M668 HydrophobicContact CD1-CE 4.39Å; V634-M668 HydrophobicContact CB-CG 4.14Å; V634-M668 HydrophobicContact CB-SD 4.31Å; V634-M668 HydrophobicContact CG1-CG 3.69Å; V634-M668 HydrophobicContact CG1-SD 4.44Å; T635-M668 HydrophobicContact CG2-SD 4.15Å; A664-M668 HydrophobicContact CB-SD 4.29Å; A664-M668 VanDerWaalsContact O-CB 3.23Å; A664-M668 WeakPolarHBondContact O-CB 3.45Å; A664-M668 PolarHBondContact O-N 3.3Å; M668-S671 VanDerWaalsContact O-CB 3.31Å; M668-S671 WeakPolarHBondContact O-CB 3.43Å; M668-S671 PolarHBondContact O-N 3.25Å; M668-S671 PolarHBondContact O-OG 2.93Å; M668-I678 HydrophobicContact CB-CD1 4.32Å; M668-I678 HydrophobicContact CE-CD1 4.3Å; M668-I678 WeakPolarHBondContact O-CD1 3.3Å; M668-I678 WeakPolarHBondContact O-CG1 3.27Å; M668-V680 HydrophobicContact CB-CG2 3.85Å |
| 669 | D | 91.8 | Very high | 90.3 | Very high | 41 Ų | 41 | 63.6 Ų | 63.6 | 22% | 0.219 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 142.9 | 170.6 | -168.3 | 48.8 | 0 | 0 | 0 | 110.6 | V665 S671 K679 V680 | V665-D669 WeakPolarHBondContact O-CB 3.31Å; D669-S671 PolarHBondContact O-N 2.97Å; D669-K679 VanDerWaalsContact OD1-CA 3.25Å; D669-K679 WeakPolarHBondContact OD1-CA 3.29Å; D669-V680 HydrophobicContact CB-CB 4.1Å; D669-V680 PolarHBondContact OD1-N 3.09Å |
| 670 | Q | 87.6 | Confident | 90.4 | Very high | 134 Ų | 134 | 57.2 Ų | 57.2 | 63% | 0.626 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 8.7 | -175.8 | -61.4 | 154.2 | 63.2 | 0 | 0 | 114.8 | E677 I678 | Q670-E677 HydrophobicContact CB-CG 4.47Å; Q670-E677 WeakPolarHBondContact CG-OE1 3.33Å; Q670-I678 WeakPolarHBondContact CA-O 3.42Å; Q670-I678 PolarHBondContact N-O 2.98Å |
| 671 | S | 88.3 | Confident | 90.5 | Very high | 38 Ų | 38 | 58.5 Ų | 58.5 | 27% | 0.266 | 32% | 0.315 | S | S | . | . | trans | -77.5 | 151.7 | 174.8 | 74.5 | 0 | 0 | 0 | 0 | 112 | M668 D669 E677 I678 | M668-S671 VanDerWaalsContact O-CB 3.31Å; M668-S671 WeakPolarHBondContact O-CB 3.43Å; M668-S671 PolarHBondContact O-N 3.25Å; M668-S671 PolarHBondContact O-OG 2.93Å; D669-S671 PolarHBondContact O-N 2.97Å; S671-E677 CarbonylContact O-C 2.98Å; S671-E677 WeakPolarHBondContact O-CA 3.25Å; S671-I678 VanDerWaalsContact O-CG1 3.25Å; S671-I678 WeakPolarHBondContact O-CG1 3.43Å; S671-I678 PolarHBondContact O-N 3.25Å; S671-I678 WeakPolarHBondContact OG-CD1 3.4Å; S671-I678 WeakPolarHBondContact OG-CG1 3.48Å | ||
| 672 | T | 85 | Confident | 90.6 | Very high | 114 Ų | 114 | 59.3 Ų | 59.3 | 70% | 0.699 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 105.1 | -175.7 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | R676 | T672-R676 CarbonylContact C-O 3.57Å; T672-R676 WeakPolarHBondContact CA-O 3.49Å |
| 673 | M | 80.6 | Confident | 90.6 | Very high | 20 Ų | 20 | 57.3 Ų | 57.3 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 114.5 | 176.6 | -70.7 | -92.4 | -86.9 | 0 | 0 | 111.3 | L618 L622 L627 L630 G675 R676 I678 | L618-M673 HydrophobicContact CD2-CE 4.14Å; L622-M673 HydrophobicContact CD2-CE 4.34Å; L627-M673 HydrophobicContact CD1-CE 3.36Å; L630-M673 HydrophobicContact CB-CE 4.4Å; L630-M673 HydrophobicContact CB-SD 4.33Å; L630-M673 HydrophobicContact CD1-CE 4.03Å; L630-M673 HydrophobicContact CD1-SD 3.57Å; L630-M673 VanDerWaalsContact CD1-SD 3.57Å; M673-G675 VanDerWaalsContact C-N 3.3Å; M673-G675 PolarHBondContact O-N 3.11Å; M673-R676 PolarHBondContact N-O 3.18Å; M673-R676 PolarHBondContact O-N 3.37Å; M673-I678 HydrophobicContact CB-CG2 3.71Å; M673-I678 HydrophobicContact CG-CD1 3.8Å; M673-I678 HydrophobicContact CG-CG1 3.9Å; M673-I678 HydrophobicContact CG-CG2 3.88Å |
| 674 | S | 76.7 | Confident | 90.6 | Very high | 68 Ų | 68 | 56.3 Ų | 56.3 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 41.4 | 179.3 | -50.1 | 0 | 0 | 0 | 0 | 113.6 | R676 | S674-R676 VanDerWaalsContact C-N 3.34Å; S674-R676 PolarHBondContact O-N 3.07Å |
| 675 | G | 80.6 | Confident | 90.5 | Very high | 76 Ų | 76 | 56.3 Ų | 56.3 | 78% | 0.784 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 10.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | M673 | M673-G675 VanDerWaalsContact C-N 3.3Å; M673-G675 PolarHBondContact O-N 3.11Å |
| 676 | R | 86.8 | Confident | 90.3 | Very high | 121 Ų | 121 | 59.8 Ų | 59.8 | 46% | 0.457 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 138.5 | 170.9 | -64.1 | -174.4 | -176 | 177.2 | 1.6 | 110.6 | T672 M673 S674 | T672-R676 CarbonylContact C-O 3.57Å; T672-R676 WeakPolarHBondContact CA-O 3.49Å; M673-R676 PolarHBondContact N-O 3.18Å; M673-R676 PolarHBondContact O-N 3.37Å; S674-R676 VanDerWaalsContact C-N 3.34Å; S674-R676 PolarHBondContact O-N 3.07Å |
| 677 | E | 90.6 | Very high | 90.1 | Very high | 116 Ų | 116 | 54.3 Ų | 54.3 | 54% | 0.542 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 129.6 | 167.1 | -168.4 | 177.8 | 161.6 | 0 | 0 | 109.8 | H617 Q670 S671 | H617-E677 VanDerWaalsContact CB-O 3.29Å; H617-E677 WeakPolarHBondContact CB-O 3.41Å; Q670-E677 HydrophobicContact CB-CG 4.47Å; Q670-E677 WeakPolarHBondContact CG-OE1 3.33Å; S671-E677 CarbonylContact O-C 2.98Å; S671-E677 WeakPolarHBondContact O-CA 3.25Å |
| 678 | I | 94.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -98.4 | 145.7 | 172.8 | 54.6 | 154.5 | 0 | 0 | 0 | 110.2 | I615 G616 L618 M668 Q670 S671 M673 V680 | I615-I678 HydrophobicContact CG2-CB 4.2Å; I615-I678 HydrophobicContact CG2-CD1 3.76Å; I615-I678 HydrophobicContact CG2-CG2 4.48Å; G616-I678 WeakPolarHBondContact O-CA 3.34Å; G616-I678 WeakPolarHBondContact O-CB 3.26Å; L618-I678 HydrophobicContact CD2-CG2 3.59Å; L618-I678 HydrophobicContact CG-CG2 4.31Å; M668-I678 HydrophobicContact CB-CD1 4.32Å; M668-I678 HydrophobicContact CE-CD1 4.3Å; M668-I678 WeakPolarHBondContact O-CD1 3.3Å; M668-I678 WeakPolarHBondContact O-CG1 3.27Å; Q670-I678 WeakPolarHBondContact CA-O 3.42Å; Q670-I678 PolarHBondContact N-O 2.98Å; S671-I678 VanDerWaalsContact O-CG1 3.25Å; S671-I678 WeakPolarHBondContact O-CG1 3.43Å; S671-I678 PolarHBondContact O-N 3.25Å; S671-I678 WeakPolarHBondContact OG-CD1 3.4Å; S671-I678 WeakPolarHBondContact OG-CG1 3.48Å; M673-I678 HydrophobicContact CB-CG2 3.71Å; M673-I678 HydrophobicContact CG-CD1 3.8Å; M673-I678 HydrophobicContact CG-CG1 3.9Å; M673-I678 HydrophobicContact CG-CG2 3.88Å; I678-V680 HydrophobicContact CD1-CG2 3.9Å |
| 679 | K | 95 | Very high | 89.9 | Confident | 118 Ų | 118 | 53 Ų | 53 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128 | 169.7 | 177.9 | 153.5 | -173.2 | 156.6 | 0 | 109.5 | I615 G616 D669 | I615-K679 CarbonylContact C-O 3.45Å; I615-K679 WeakPolarHBondContact CA-O 3.44Å; G616-K679 PolarHBondContact N-O 3.5Å; G616-K679 PolarHBondContact O-N 3.25Å; D669-K679 VanDerWaalsContact OD1-CA 3.25Å; D669-K679 WeakPolarHBondContact OD1-CA 3.29Å |
| 680 | V | 96.2 | Very high | 89.5 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.03 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 138.1 | 175.9 | -172.4 | 0 | 0 | 0 | 0 | 109.4 | V613 F614 I615 V665 M668 D669 I678 | V613-V680 HydrophobicContact CB-CG1 4.24Å; V613-V680 HydrophobicContact CG2-CG1 4.34Å; F614-V680 WeakPolarHBondContact O-CA 3.25Å; I615-V680 HydrophobicContact CG1-CG1 4.36Å; I615-V680 HydrophobicContact CG1-CG2 4.18Å; I615-V680 HydrophobicContact CG2-CG2 4.23Å; V665-V680 HydrophobicContact CG2-CG1 4.25Å; M668-V680 HydrophobicContact CB-CG2 3.85Å; D669-V680 HydrophobicContact CB-CB 4.1Å; D669-V680 PolarHBondContact OD1-N 3.09Å; I678-V680 HydrophobicContact CD1-CG2 3.9Å |
| 681 | A | 96.7 | Very high | 89.2 | Confident | 28 Ų | 28 | 51 Ų | 51 | 23% | 0.231 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 163.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V613 F614 | V613-A681 CarbonylContact C-O 3.59Å; V613-A681 WeakPolarHBondContact CA-O 3.45Å; V613-A681 WeakPolarHBondContact CB-O 3.33Å; F614-A681 PolarHBondContact N-O 3.41Å; F614-A681 PolarHBondContact O-N 2.88Å |
| 682 | W | 96.6 | Very high | 88.5 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 6% | 0.064 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 154.2 | 170.6 | -67.4 | 112.8 | 0 | 0 | 0 | 112.2 | S610 V613 A661 H662 V665 W699 D702 | S610-W682 WeakPolarHBondContact O-CZ3 3.47Å; V613-W682 HydrophobicContact CG1-CE3 4.11Å; V613-W682 HydrophobicContact CG1-CZ3 4.25Å; A661-W682 HydrophobicContact CB-CH2 3.95Å; A661-W682 HydrophobicContact CB-CZ3 3.58Å; H662-W682 HydrophobicContact CB-CH2 4Å; H662-W682 HydrophobicContact CB-CZ2 4.08Å; V665-W682 HydrophobicContact CG2-CD2 3.91Å; V665-W682 HydrophobicContact CG2-CE3 4.31Å; V665-W682 HydrophobicContact CG2-CG 4.29Å; V665-W682 HydrophobicContact CG2-CZ2 4.24Å; W682-W699 HydrophobicContact CB-CH2 4.04Å; W682-W699 HydrophobicContact CB-CZ2 3.79Å; W682-D702 VanDerWaalsContact CD1-O 3.22Å; W682-D702 PolarHBondContact NE1-O 3.37Å |
| 683 | A | 95.4 | Very high | 87.8 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 3% | 0.025 | 29% | 0.292 | C | S | . | . | trans | -135.9 | 145.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S610 T612 F614 F652 W699 | S610-A683 VanDerWaalsContact CB-O 3.32Å; S610-A683 WeakPolarHBondContact CB-O 3.31Å; S610-A683 PolarHBondContact OG-O 3.36Å; T612-A683 HydrophobicContact CG2-CB 4.13Å; T612-A683 PolarHBondContact O-N 3.05Å; T612-A683 VanDerWaalsContact O-O 3.04Å; F614-A683 HydrophobicContact CB-CB 4.21Å; F652-A683 HydrophobicContact CD1-CB 3.73Å; F652-A683 HydrophobicContact CE1-CB 3.88Å; A683-W699 VanDerWaalsContact C-CZ2 3.45Å; A683-W699 VanDerWaalsContact O-CH2 3.32Å; A683-W699 WeakPolarHBondContact O-CH2 3.29Å | ||
| 684 | P | 94.1 | Very high | 87.3 | Confident | 33 Ų | 33 | 56.9 Ų | 56.9 | 21% | 0.214 | 30% | 0.303 | C | S | . | . | trans | -64.1 | 140.7 | 173.4 | 26.1 | -33.5 | 0 | 0 | 0 | 110.6 | I688 K689 W699 | P684-I688 HydrophobicContact CB-CB 4.03Å; P684-I688 HydrophobicContact CB-CG2 3.78Å; P684-K689 HydrophobicContact CG-CB 4.49Å; P684-W699 HydrophobicContact CB-CD2 4.01Å; P684-W699 HydrophobicContact CB-CE3 3.89Å; P684-W699 HydrophobicContact CB-CH2 4.45Å; P684-W699 HydrophobicContact CB-CZ3 4.13Å; P684-W699 HydrophobicContact CG-CD2 4.49Å | ||
| 685 | N | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -65.2 | 166.6 | 174.3 | 65.2 | -74.6 | 0 | 0 | 0 | 111.2 | S610 G687 I688 K689 L724 A726 G727 | S610-N685 PolarHBondContact OG-N 3.09Å; N685-G687 VanDerWaalsContact C-N 3.3Å; N685-G687 PolarHBondContact O-N 3.26Å; N685-I688 PolarHBondContact O-N 3.47Å; N685-I688 WeakPolarHBondContact OD1-CG1 3.45Å; N685-K689 WeakPolarHBondContact O-CB 3.48Å; N685-K689 PolarHBondContact O-N 3.22Å; N685-L724 PolarHBondContact ND2-O 3.43Å; N685-A726 PolarHBondContact ND2-O 3.32Å; N685-G727 WeakPolarHBondContact CB-O 3.43Å | ||
| 686 | L | 90.5 | Very high | 87.2 | Confident | 104 Ų | 104 | 53.3 Ų | 53.3 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.7 | -36.7 | -167.8 | -173.6 | 62 | 0 | 0 | 0 | 113.7 | K689 S690 A726 | L686-K689 CarbonylContact O-C 3.5Å; L686-K689 PolarHBondContact O-N 3.21Å; L686-S690 WeakPolarHBondContact O-CB 3.41Å; L686-S690 PolarHBondContact O-N 2.94Å; L686-A726 PolarHBondContact N-O 3.28Å; L686-A726 VanDerWaalsContact N-O 3.11Å |
| 687 | G | 89.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -55.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N685 K689 S690 R691 D723 A726 | N685-G687 VanDerWaalsContact C-N 3.3Å; N685-G687 PolarHBondContact O-N 3.26Å; G687-K689 VanDerWaalsContact C-N 3.29Å; G687-K689 PolarHBondContact O-N 2.91Å; G687-S690 WeakPolarHBondContact O-CB 3.38Å; G687-S690 PolarHBondContact O-N 2.79Å; G687-S690 PolarHBondContact O-OG 2.69Å; G687-R691 PolarHBondContact O-N 3.1Å; G687-D723 WeakPolarHBondContact CA-O 3.33Å; G687-A726 PolarHBondContact N-O 3.15Å |
| 688 | I | 90.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.6 | -44.7 | 175.1 | -54.5 | -62.6 | 0 | 0 | 0 | 111 | I608 P684 N685 S690 R691 V695 T706 L724 | I608-I688 HydrophobicContact CD1-CD1 4.22Å; P684-I688 HydrophobicContact CB-CB 4.03Å; P684-I688 HydrophobicContact CB-CG2 3.78Å; N685-I688 PolarHBondContact O-N 3.47Å; N685-I688 WeakPolarHBondContact OD1-CG1 3.45Å; I688-S690 VanDerWaalsContact C-N 3.25Å; I688-S690 PolarHBondContact O-N 3Å; I688-R691 CarbonylContact O-C 3.6Å; I688-R691 PolarHBondContact O-N 3.18Å; I688-V695 HydrophobicContact CD1-CG1 3.71Å; I688-V695 HydrophobicContact CG2-CB 4.3Å; I688-V695 HydrophobicContact CG2-CG1 3.95Å; I688-T706 HydrophobicContact CD1-CG2 4.1Å; I688-L724 HydrophobicContact CD1-CB 4.22Å; I688-L724 HydrophobicContact CD1-CD2 4.33Å |
| 689 | K | 87.2 | Confident | 87 | Confident | 74 Ų | 74 | 53.1 Ų | 53.1 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.5 | -15.5 | 177.8 | -169 | 175.5 | -178.1 | 175.7 | 0 | 114.3 | P684 N685 L686 G687 | P684-K689 HydrophobicContact CG-CB 4.49Å; N685-K689 WeakPolarHBondContact O-CB 3.48Å; N685-K689 PolarHBondContact O-N 3.22Å; L686-K689 CarbonylContact O-C 3.5Å; L686-K689 PolarHBondContact O-N 3.21Å; G687-K689 VanDerWaalsContact C-N 3.29Å; G687-K689 PolarHBondContact O-N 2.91Å |
| 690 | S | 83.1 | Confident | 86.9 | Confident | 83 Ų | 83 | 49.1 Ų | 49.1 | 58% | 0.58 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -83.4 | -23.9 | 173.4 | 78.1 | 0 | 0 | 0 | 0 | 112.8 | L686 G687 I688 | L686-S690 WeakPolarHBondContact O-CB 3.41Å; L686-S690 PolarHBondContact O-N 2.94Å; G687-S690 WeakPolarHBondContact O-CB 3.38Å; G687-S690 PolarHBondContact O-N 2.79Å; G687-S690 PolarHBondContact O-OG 2.69Å; I688-S690 VanDerWaalsContact C-N 3.25Å; I688-S690 PolarHBondContact O-N 3Å |
| 691 | R | 81.8 | Confident | 86.7 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 19% | 0.192 | 27% | 0.273 | C | S | . | . | trans | -113.7 | 49.3 | 179.9 | -57.5 | -169.1 | -169.1 | 154.1 | 0.5 | 111.4 | G687 I688 D693 Y694 V695 Q720 D723 L724 | G687-R691 PolarHBondContact O-N 3.1Å; I688-R691 CarbonylContact O-C 3.6Å; I688-R691 PolarHBondContact O-N 3.18Å; R691-D693 PolarHBondContact O-N 3.27Å; R691-D693 VanDerWaalsContact O-N 3.1Å; R691-Y694 PolarHBondContact O-N 2.8Å; R691-V695 HydrophobicContact CB-CG2 3.86Å; R691-V695 PolarHBondContact O-N 3.03Å; R691-V695 VanDerWaalsContact O-N 3.11Å; R691-Q720 VanDerWaalsContact CZ-O 3.3Å; R691-Q720 PolarHBondContact NH1-O 2.91Å; R691-Q720 PolarHBondContact NH2-O 3.4Å; R691-D723 IonicContact CZ-OD2 3.08Å; R691-D723 IonicContact NH2-OD2 3.83Å; R691-D723 PolarHBondContact NH2-OD2 2.82Å; R691-L724 VanDerWaalsContact NH1-CD2 3.34Å | ||
| 692 | E | 73.7 | Confident | 86.4 | Confident | 114 Ų | 114 | 58 Ų | 58 | 53% | 0.533 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -22.8 | 179.9 | -86 | 179 | -176.2 | 0 | 0 | 113.5 | T696 | E692-T696 HydrophobicContact CB-CG2 4.12Å; E692-T696 HydrophobicContact CG-CG2 3.99Å; E692-T696 WeakPolarHBondContact O-CG2 3.2Å; E692-T696 PolarHBondContact O-OG1 2.95Å |
| 693 | D | 70.9 | Confident | 86.2 | Confident | 94 Ų | 94 | 59.7 Ų | 59.7 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -24.8 | -176.8 | 64.5 | -33.7 | 0 | 0 | 0 | 114.5 | R78 R691 | R78-D693 IonicContact NH2-OD2 3.25Å; R78-D693 PolarHBondContact NH2-OD2 3.3Å; R691-D693 PolarHBondContact O-N 3.27Å; R691-D693 VanDerWaalsContact O-N 3.1Å |
| 694 | Y | 70.5 | Confident | 86.1 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 34% | 0.341 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -47.1 | -178.1 | -175 | -104.4 | 0 | 0 | 0 | 112.9 | R691 T696 N697 Y698 L708 E712 | R691-Y694 PolarHBondContact O-N 2.8Å; Y694-T696 PolarHBondContact O-N 3.3Å; Y694-N697 PolarHBondContact O-ND2 3.12Å; Y694-N697 VanDerWaalsContact O-ND2 3.16Å; Y694-Y698 HydrophobicContact CD1-CE2 4.41Å; Y694-Y698 HydrophobicContact CE1-CD2 4.47Å; Y694-Y698 AromaticContact CE1-CE2 3.72Å; Y694-Y698 HydrophobicContact CE1-CE2 3.72Å; Y694-Y698 HydrophobicContact CE2-CE2 4.47Å; Y694-Y698 AromaticContact CZ-CE2 3.73Å; Y694-Y698 PolarHBondContact OH-OH 3.35Å; Y694-Y698 VanDerWaalsContact OH-OH 3.11Å; Y694-L708 HydrophobicContact CE1-CD1 4.35Å; Y694-E712 WeakPolarHBondContact OH-CG 3.49Å; Y694-E712 PolarHBondContact OH-OE1 2.92Å; Y694-E712 PolarHBondContact OH-OE2 2.92Å |
| 695 | V | 79.3 | Confident | 86.1 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -84.5 | -17.4 | -161.9 | -163.5 | 0 | 0 | 0 | 0 | 113.2 | I688 R691 N697 Y698 T706 L724 | I688-V695 HydrophobicContact CD1-CG1 3.71Å; I688-V695 HydrophobicContact CG2-CB 4.3Å; I688-V695 HydrophobicContact CG2-CG1 3.95Å; R691-V695 HydrophobicContact CB-CG2 3.86Å; R691-V695 PolarHBondContact O-N 3.03Å; R691-V695 VanDerWaalsContact O-N 3.11Å; V695-N697 PolarHBondContact O-N 3.45Å; V695-Y698 WeakPolarHBondContact O-CB 3.32Å; V695-Y698 PolarHBondContact O-N 3.03Å; V695-Y698 VanDerWaalsContact O-N 3.08Å; V695-T706 HydrophobicContact CG1-CG2 3.61Å; V695-L724 HydrophobicContact CG2-CD2 4.04Å |
| 696 | T | 74.8 | Confident | 86.2 | Confident | 65 Ų | 65 | 58 Ų | 58 | 40% | 0.399 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -64 | -24.6 | -179 | 47.5 | 0 | 0 | 0 | 0 | 114.2 | E692 Y694 Y698 W699 | E692-T696 HydrophobicContact CB-CG2 4.12Å; E692-T696 HydrophobicContact CG-CG2 3.99Å; E692-T696 WeakPolarHBondContact O-CG2 3.2Å; E692-T696 PolarHBondContact O-OG1 2.95Å; Y694-T696 PolarHBondContact O-N 3.3Å; T696-Y698 PolarHBondContact O-N 3.08Å; T696-W699 PolarHBondContact O-N 3.44Å |
| 697 | N | 84.3 | Confident | 86.4 | Confident | 132 Ų | 132 | 53.5 Ų | 53.5 | 71% | 0.706 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -68.7 | -17.1 | 176 | -54.8 | -63.1 | 0 | 0 | 0 | 113 | Y694 V695 | Y694-N697 PolarHBondContact O-ND2 3.12Å; Y694-N697 VanDerWaalsContact O-ND2 3.16Å; V695-N697 PolarHBondContact O-N 3.45Å |
| 698 | Y | 90.5 | Very high | 86.5 | Confident | 61 Ų | 61 | 53.5 Ų | 53.5 | 24% | 0.239 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -102.9 | -3.1 | -178.2 | -60.8 | -61.8 | 0 | 0 | 0 | 113.3 | Y694 V695 T696 D700 T706 Y707 L708 P709 | Y694-Y698 HydrophobicContact CD1-CE2 4.41Å; Y694-Y698 HydrophobicContact CE1-CD2 4.47Å; Y694-Y698 AromaticContact CE1-CE2 3.72Å; Y694-Y698 HydrophobicContact CE1-CE2 3.72Å; Y694-Y698 HydrophobicContact CE2-CE2 4.47Å; Y694-Y698 AromaticContact CZ-CE2 3.73Å; Y694-Y698 PolarHBondContact OH-OH 3.35Å; Y694-Y698 VanDerWaalsContact OH-OH 3.11Å; V695-Y698 WeakPolarHBondContact O-CB 3.32Å; V695-Y698 PolarHBondContact O-N 3.03Å; V695-Y698 VanDerWaalsContact O-N 3.08Å; T696-Y698 PolarHBondContact O-N 3.08Å; Y698-D700 PolarHBondContact O-N 2.92Å; Y698-T706 CarbonylContact O-C 3.56Å; Y698-T706 WeakPolarHBondContact O-CA 3.38Å; Y698-Y707 VanDerWaalsContact CB-O 3.3Å; Y698-Y707 WeakPolarHBondContact CB-O 3.38Å; Y698-Y707 VanDerWaalsContact CD1-O 3.28Å; Y698-Y707 WeakPolarHBondContact CD1-O 3.19Å; Y698-Y707 PolarHBondContact O-N 2.85Å; Y698-L708 HydrophobicContact CD2-CD1 4Å; Y698-L708 HydrophobicContact CE2-CD1 4.24Å; Y698-P709 HydrophobicContact CD1-CG 4.13Å; Y698-P709 HydrophobicContact CE1-CG 3.48Å; Y698-P709 VanDerWaalsContact CE1-CG 3.48Å |
| 699 | W | 92.4 | Very high | 86.5 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 15% | 0.152 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 114.3 | -178 | 168.6 | -99.1 | 0 | 0 | 0 | 111.8 | W682 A683 P684 T696 T701 G704 | W682-W699 HydrophobicContact CB-CH2 4.04Å; W682-W699 HydrophobicContact CB-CZ2 3.79Å; A683-W699 VanDerWaalsContact C-CZ2 3.45Å; A683-W699 VanDerWaalsContact O-CH2 3.32Å; A683-W699 WeakPolarHBondContact O-CH2 3.29Å; P684-W699 HydrophobicContact CB-CD2 4.01Å; P684-W699 HydrophobicContact CB-CE3 3.89Å; P684-W699 HydrophobicContact CB-CH2 4.45Å; P684-W699 HydrophobicContact CB-CZ3 4.13Å; P684-W699 HydrophobicContact CG-CD2 4.49Å; T696-W699 PolarHBondContact O-N 3.44Å; W699-T701 VanDerWaalsContact CD1-OG1 3.29Å; W699-T701 PolarHBondContact NE1-OG1 3.24Å; W699-G704 VanDerWaalsContact CH2-C 3.45Å; W699-G704 VanDerWaalsContact CH2-CA 3.46Å; W699-G704 VanDerWaalsContact CZ3-C 3.48Å |
| 700 | D | 92.6 | Very high | 86.6 | Confident | 34 Ų | 34 | 52.4 Ų | 52.4 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 118 | 171 | -160.7 | -51.8 | 0 | 0 | 0 | 109.8 | K602 Y698 D702 E703 G704 C705 Y707 | K602-D700 IonicContact NZ-OD2 2.9Å; K602-D700 PolarHBondContact NZ-OD2 3.47Å; Y698-D700 PolarHBondContact O-N 2.92Å; D700-D702 PolarHBondContact OD1-N 3.36Å; D700-E703 HydrophobicContact CB-CB 4.4Å; D700-E703 PolarHBondContact OD1-N 2.9Å; D700-E703 VanDerWaalsContact OD1-N 3.07Å; D700-G704 VanDerWaalsContact O-CA 3.23Å; D700-G704 WeakPolarHBondContact O-CA 3.33Å; D700-G704 PolarHBondContact O-N 3.05Å; D700-C705 VanDerWaalsContact CB-O 3.3Å; D700-C705 WeakPolarHBondContact CB-O 3.3Å; D700-C705 PolarHBondContact N-O 3.33Å; D700-C705 PolarHBondContact O-N 2.85Å; D700-Y707 HydrophobicContact CB-CD2 3.99Å; D700-Y707 HydrophobicContact CB-CE2 3.71Å |
| 701 | T | 91.9 | Very high | 86.7 | Confident | 75 Ų | 75 | 53.8 Ų | 53.8 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -26.3 | -173.6 | -61.1 | 0 | 0 | 0 | 0 | 113 | W699 | W699-T701 VanDerWaalsContact CD1-OG1 3.29Å; W699-T701 PolarHBondContact NE1-OG1 3.24Å |
| 702 | D | 91.8 | Very high | 87 | Confident | 145 Ų | 145 | 53.5 Ų | 53.5 | 78% | 0.775 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -39 | -177.6 | -62 | -41.1 | 0 | 0 | 0 | 110.2 | W682 D700 | W682-D702 VanDerWaalsContact CD1-O 3.22Å; W682-D702 PolarHBondContact NE1-O 3.37Å; D700-D702 PolarHBondContact OD1-N 3.36Å |
| 703 | E | 91 | Very high | 87.6 | Confident | 53 Ų | 53 | 48.5 Ų | 48.5 | 25% | 0.248 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -13.9 | 174.6 | -60.5 | -149.9 | -155.4 | 0 | 0 | 113.7 | P599 T600 R658 D700 C705 Y707 | P599-E703 WeakPolarHBondContact CA-OE2 3.4Å; P599-E703 HydrophobicContact CB-CB 4.11Å; P599-E703 WeakPolarHBondContact CB-OE2 3.33Å; T600-E703 VanDerWaalsContact CG2-OE1 3.28Å; T600-E703 WeakPolarHBondContact CG2-OE1 3.47Å; T600-E703 PolarHBondContact N-OE2 3.47Å; T600-E703 VanDerWaalsContact OG1-CD 3.3Å; T600-E703 PolarHBondContact OG1-OE1 3.4Å; T600-E703 PolarHBondContact OG1-OE2 2.87Å; R658-E703 PolarHBondContact NH2-O 2.99Å; D700-E703 HydrophobicContact CB-CB 4.4Å; D700-E703 PolarHBondContact OD1-N 2.9Å; D700-E703 VanDerWaalsContact OD1-N 3.07Å; E703-C705 PolarHBondContact O-N 3.2Å; E703-Y707 PolarHBondContact OE2-OH 3.5Å |
| 704 | G | 94.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 37.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | S610 R658 W699 D700 | S610-G704 PolarHBondContact N-O 3.32Å; R658-G704 PolarHBondContact NH1-O 2.85Å; W699-G704 VanDerWaalsContact CH2-C 3.45Å; W699-G704 VanDerWaalsContact CH2-CA 3.46Å; W699-G704 VanDerWaalsContact CZ3-C 3.48Å; D700-G704 VanDerWaalsContact O-CA 3.23Å; D700-G704 WeakPolarHBondContact O-CA 3.33Å; D700-G704 PolarHBondContact O-N 3.05Å |
| 705 | C | 94.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.1 | -174.2 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | P599 I608 D700 E703 Y707 | P599-C705 HydrophobicContact CB-CB 4.17Å; P599-C705 HydrophobicContact CG-CB 4.06Å; I608-C705 CarbonylContact O-C 3.44Å; I608-C705 WeakPolarHBondContact O-CA 3.39Å; I608-C705 PolarHBondContact O-SG 2.95Å; D700-C705 VanDerWaalsContact CB-O 3.3Å; D700-C705 WeakPolarHBondContact CB-O 3.3Å; D700-C705 PolarHBondContact N-O 3.33Å; D700-C705 PolarHBondContact O-N 2.85Å; E703-C705 PolarHBondContact O-N 3.2Å; C705-Y707 HydrophobicContact CB-CD2 4.47Å; C705-Y707 HydrophobicContact CB-CE2 3.94Å |
| 706 | T | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 120.2 | 167.4 | -47.3 | 0 | 0 | 0 | 0 | 109.1 | I608 I688 V695 Y698 | I608-T706 PolarHBondContact N-O 2.84Å; I608-T706 PolarHBondContact O-N 3.23Å; I688-T706 HydrophobicContact CD1-CG2 4.1Å; V695-T706 HydrophobicContact CG1-CG2 3.61Å; Y698-T706 CarbonylContact O-C 3.56Å; Y698-T706 WeakPolarHBondContact O-CA 3.38Å |
| 707 | Y | 94.2 | Very high | 89.9 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 4% | 0.035 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 93.5 | 176.2 | -67 | -87.8 | 0 | 0 | 0 | 109.6 | T600 K602 H605 Y698 D700 E703 C705 | T600-Y707 WeakPolarHBondContact O-CE1 3.32Å; T600-Y707 PolarHBondContact O-OH 3.31Å; T600-Y707 PolarHBondContact OG1-OH 3.17Å; K602-Y707 HydrophobicContact CB-CD1 3.81Å; K602-Y707 HydrophobicContact CB-CE1 3.91Å; K602-Y707 HydrophobicContact CD-CD1 3.65Å; K602-Y707 HydrophobicContact CD-CD2 3.91Å; K602-Y707 HydrophobicContact CD-CE1 3.62Å; K602-Y707 HydrophobicContact CD-CE2 3.89Å; K602-Y707 HydrophobicContact CD-CG 3.76Å; K602-Y707 VanDerWaalsContact CE-CE2 3.46Å; K602-Y707 VanDerWaalsContact CE-CZ 3.41Å; K602-Y707 HydrophobicContact CG-CD1 3.84Å; K602-Y707 HydrophobicContact CG-CE1 3.57Å; K602-Y707 HydrophobicContact CG-CG 4.45Å; K602-Y707 VanDerWaalsContact NZ-CD2 3.34Å; H605-Y707 HydrophobicContact CB-CD1 4.4Å; H605-Y707 PolarHBondContact CD2-O 3.09Å; Y698-Y707 VanDerWaalsContact CB-O 3.3Å; Y698-Y707 WeakPolarHBondContact CB-O 3.38Å; Y698-Y707 VanDerWaalsContact CD1-O 3.28Å; Y698-Y707 WeakPolarHBondContact CD1-O 3.19Å; Y698-Y707 PolarHBondContact O-N 2.85Å; D700-Y707 HydrophobicContact CB-CD2 3.99Å; D700-Y707 HydrophobicContact CB-CE2 3.71Å; E703-Y707 PolarHBondContact OE2-OH 3.5Å; C705-Y707 HydrophobicContact CB-CD2 4.47Å; C705-Y707 HydrophobicContact CB-CE2 3.94Å |
| 708 | L | 91.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 121.9 | -177.9 | -170.6 | 61.9 | 0 | 0 | 0 | 109.6 | H605 V606 Y694 Y698 E712 V713 L716 L724 | H605-L708 CarbonylContact C-O 3.38Å; H605-L708 WeakPolarHBondContact CA-O 3.47Å; V606-L708 PolarHBondContact N-O 2.94Å; V606-L708 PolarHBondContact O-N 2.79Å; Y694-L708 HydrophobicContact CE1-CD1 4.35Å; Y698-L708 HydrophobicContact CD2-CD1 4Å; Y698-L708 HydrophobicContact CE2-CD1 4.24Å; L708-E712 HydrophobicContact CD1-CB 3.96Å; L708-E712 HydrophobicContact CG-CB 4.23Å; L708-V713 HydrophobicContact CB-CG2 4.14Å; L708-V713 HydrophobicContact CD2-CG2 3.83Å; L708-V713 HydrophobicContact CG-CG2 3.85Å; L708-L716 HydrophobicContact CD2-CD1 3.88Å; L708-L724 HydrophobicContact CD2-CD1 3.9Å |
| 709 | P | 91.3 | Very high | 89.7 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 143.3 | 179.6 | -22.4 | 31.7 | 0 | 0 | 0 | 111.7 | Y698 E711 E712 V713 | Y698-P709 HydrophobicContact CD1-CG 4.13Å; Y698-P709 HydrophobicContact CE1-CG 3.48Å; Y698-P709 VanDerWaalsContact CE1-CG 3.48Å; P709-E711 WeakPolarHBondContact CB-OE2 3.43Å; P709-E711 PolarHBondContact O-N 3.37Å; P709-E712 HydrophobicContact CB-CG 4.22Å; P709-E712 HydrophobicContact CG-CG 4.31Å; P709-E712 WeakPolarHBondContact O-CB 3.42Å; P709-E712 PolarHBondContact O-N 3.05Å; P709-V713 PolarHBondContact O-N 3.19Å; P709-V713 VanDerWaalsContact O-N 3.11Å |
| 710 | I | 88.9 | Confident | 89.5 | Confident | 37 Ų | 37 | 53.8 Ų | 53.8 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.6 | -35.6 | -175.7 | -72.4 | 172 | 0 | 0 | 0 | 111.6 | D604 V606 E712 V713 V714 L741 | D604-I710 WeakPolarHBondContact O-CG1 3.37Å; D604-I710 PolarHBondContact O-N 3.35Å; V606-I710 HydrophobicContact CG2-CG1 4.15Å; I710-E712 PolarHBondContact O-N 3.18Å; I710-V713 PolarHBondContact O-N 3.04Å; I710-V714 HydrophobicContact CG2-CG2 4.29Å; I710-V714 WeakPolarHBondContact O-CG2 3.24Å; I710-V714 PolarHBondContact O-N 3.36Å; I710-L741 HydrophobicContact CD1-CD2 4.47Å; I710-L741 HydrophobicContact CG1-CD2 4.06Å; I710-L741 HydrophobicContact CG2-CD2 4Å |
| 711 | E | 86.8 | Confident | 89.3 | Confident | 113 Ų | 113 | 52.5 Ų | 52.5 | 53% | 0.528 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.7 | -34.8 | 176.5 | -58.5 | 71.1 | -155.8 | 0 | 0 | 112 | P709 K715 | P709-E711 WeakPolarHBondContact CB-OE2 3.43Å; P709-E711 PolarHBondContact O-N 3.37Å; E711-K715 WeakPolarHBondContact O-CE 3.4Å; E711-K715 VanDerWaalsContact O-CG 3.32Å; E711-K715 WeakPolarHBondContact O-CG 3.42Å; E711-K715 PolarHBondContact O-N 3.49Å |
| 712 | E | 87.2 | Confident | 89.3 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -83.3 | -34.7 | -178.6 | -56.2 | -64.2 | 168.2 | 0 | 0 | 111.5 | Y694 L708 P709 I710 V714 K715 L716 | Y694-E712 WeakPolarHBondContact OH-CG 3.49Å; Y694-E712 PolarHBondContact OH-OE1 2.92Å; Y694-E712 PolarHBondContact OH-OE2 2.92Å; L708-E712 HydrophobicContact CD1-CB 3.96Å; L708-E712 HydrophobicContact CG-CB 4.23Å; P709-E712 HydrophobicContact CB-CG 4.22Å; P709-E712 HydrophobicContact CG-CG 4.31Å; P709-E712 WeakPolarHBondContact O-CB 3.42Å; P709-E712 PolarHBondContact O-N 3.05Å; I710-E712 PolarHBondContact O-N 3.18Å; E712-V714 VanDerWaalsContact C-N 3.3Å; E712-V714 PolarHBondContact O-N 3.08Å; E712-K715 PolarHBondContact O-N 3.42Å; E712-K715 IonicContact OE1-NZ 3.25Å; E712-K715 PolarHBondContact OE1-NZ 3.37Å; E712-K715 WeakPolarHBondContact OE2-CD 3.32Å; E712-K715 WeakPolarHBondContact OE2-CE 3.41Å; E712-K715 IonicContact OE2-NZ 2.62Å; E712-K715 PolarHBondContact OE2-NZ 2.85Å; E712-L716 WeakPolarHBondContact O-CG 3.49Å; E712-L716 PolarHBondContact O-N 2.91Å |
| 713 | V | 87.2 | Confident | 89.2 | Confident | 8 Ų | 8 | 49 Ų | 49 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 170.2 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | V606 L708 P709 I710 K715 L716 F721 L741 I745 | V606-V713 HydrophobicContact CB-CG2 3.99Å; V606-V713 HydrophobicContact CG2-CG2 3.85Å; L708-V713 HydrophobicContact CB-CG2 4.14Å; L708-V713 HydrophobicContact CD2-CG2 3.83Å; L708-V713 HydrophobicContact CG-CG2 3.85Å; P709-V713 PolarHBondContact O-N 3.19Å; P709-V713 VanDerWaalsContact O-N 3.11Å; I710-V713 PolarHBondContact O-N 3.04Å; V713-K715 VanDerWaalsContact C-N 3.28Å; V713-K715 PolarHBondContact O-N 2.97Å; V713-L716 PolarHBondContact O-N 3.16Å; V713-F721 HydrophobicContact CG1-CD2 4.14Å; V713-F721 HydrophobicContact CG1-CE2 3.9Å; V713-L741 HydrophobicContact CG1-CD1 3.87Å; V713-I745 HydrophobicContact CG1-CD1 3.68Å |
| 714 | V | 86 | Confident | 89.2 | Confident | 103 Ų | 103 | 46.5 Ų | 46.5 | 62% | 0.624 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -68.9 | -22.2 | 179.6 | 171.7 | 0 | 0 | 0 | 0 | 113.2 | I710 E712 L741 | I710-V714 HydrophobicContact CG2-CG2 4.29Å; I710-V714 WeakPolarHBondContact O-CG2 3.24Å; I710-V714 PolarHBondContact O-N 3.36Å; E712-V714 VanDerWaalsContact C-N 3.3Å; E712-V714 PolarHBondContact O-N 3.08Å; V714-L741 HydrophobicContact CG2-CD1 4.03Å |
| 715 | K | 86.6 | Confident | 89 | Confident | 131 Ų | 131 | 48.2 Ų | 48.2 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -80.1 | -19.3 | 174 | -70.7 | 171.1 | -141.7 | 166.7 | 0 | 113.7 | E711 E712 V713 | E711-K715 WeakPolarHBondContact O-CE 3.4Å; E711-K715 VanDerWaalsContact O-CG 3.32Å; E711-K715 WeakPolarHBondContact O-CG 3.42Å; E711-K715 PolarHBondContact O-N 3.49Å; E712-K715 PolarHBondContact O-N 3.42Å; E712-K715 IonicContact OE1-NZ 3.25Å; E712-K715 PolarHBondContact OE1-NZ 3.37Å; E712-K715 WeakPolarHBondContact OE2-CD 3.32Å; E712-K715 WeakPolarHBondContact OE2-CE 3.41Å; E712-K715 IonicContact OE2-NZ 2.62Å; E712-K715 PolarHBondContact OE2-NZ 2.85Å; V713-K715 VanDerWaalsContact C-N 3.28Å; V713-K715 PolarHBondContact O-N 2.97Å |
| 716 | L | 84.5 | Confident | 88.8 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -83.2 | 134.6 | -177.7 | -68.3 | 166.8 | 0 | 0 | 0 | 111 | L708 E712 V713 Q720 F721 L724 | L708-L716 HydrophobicContact CD2-CD1 3.88Å; E712-L716 WeakPolarHBondContact O-CG 3.49Å; E712-L716 PolarHBondContact O-N 2.91Å; V713-L716 PolarHBondContact O-N 3.16Å; L716-Q720 HydrophobicContact CB-CB 4.39Å; L716-Q720 HydrophobicContact CD2-CB 3.98Å; L716-F721 HydrophobicContact CD1-CD2 4.22Å; L716-L724 HydrophobicContact CD1-CD1 3.63Å |
| 717 | T | 85.2 | Confident | 88.5 | Confident | 76 Ų | 76 | 51.5 Ų | 51.5 | 47% | 0.466 | 28% | 0.279 | S | S | . | . | trans | -71.7 | 155.3 | 167.1 | 66.5 | 0 | 0 | 0 | 0 | 110.3 | Q720 F721 | T717-Q720 CarbonylContact O-C 3.35Å; T717-Q720 WeakPolarHBondContact O-CA 2.8Å; T717-Q720 WeakPolarHBondContact O-CB 3.18Å; T717-Q720 PolarHBondContact O-N 2.87Å; T717-Q720 VanDerWaalsContact OG1-CD 3.25Å; T717-Q720 VanDerWaalsContact OG1-CG 3.29Å; T717-Q720 WeakPolarHBondContact OG1-CG 3.27Å; T717-Q720 PolarHBondContact OG1-OE1 3.21Å; T717-F721 PolarHBondContact O-N 3.34Å | ||
| 718 | R | 85.2 | Confident | 88.2 | Confident | 68 Ų | 68 | 53 Ų | 53 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -51.4 | -47.5 | -176.7 | 178.5 | 63.3 | -162 | -132.4 | 18.6 | 113.8 | Q720 F721 D722 L744 I745 | R718-Q720 VanDerWaalsContact C-N 3.31Å; R718-Q720 PolarHBondContact O-N 2.93Å; R718-F721 PolarHBondContact O-N 3.49Å; R718-F721 VanDerWaalsContact O-N 3.07Å; R718-D722 IonicContact CZ-OD1 2.75Å; R718-D722 VanDerWaalsContact CZ-OD1 3.25Å; R718-D722 IonicContact CZ-OD2 3.89Å; R718-D722 VanDerWaalsContact NE-CG 3.27Å; R718-D722 IonicContact NE-OD1 2.79Å; R718-D722 PolarHBondContact NE-OD1 3.31Å; R718-D722 IonicContact NE-OD2 2.76Å; R718-D722 PolarHBondContact NE-OD2 3.05Å; R718-D722 IonicContact NH2-OD1 2.67Å; R718-D722 PolarHBondContact NH2-OD1 3.48Å; R718-D722 IonicContact NH2-OD2 2.94Å; R718-D722 PolarHBondContact O-N 2.89Å; R718-L744 PolarHBondContact NH1-O 3.31Å; R718-I745 VanDerWaalsContact CZ-O 3.28Å; R718-I745 PolarHBondContact NH1-O 3.42Å; R718-I745 PolarHBondContact NH2-O 3.03Å; R718-I745 VanDerWaalsContact NH2-O 3.11Å |
| 719 | P | 86.5 | Confident | 88.1 | Confident | 88 Ų | 88 | 53.4 Ų | 53.4 | 57% | 0.571 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.4 | -35.2 | 174.4 | -22.4 | 34.6 | 0 | 0 | 0 | 113.5 | F721 D722 D723 | P719-F721 VanDerWaalsContact C-N 3.26Å; P719-F721 PolarHBondContact O-N 3Å; P719-D722 PolarHBondContact O-N 2.81Å; P719-D723 WeakPolarHBondContact O-CB 3.49Å; P719-D723 PolarHBondContact O-N 2.71Å |
| 720 | Q | 87.7 | Confident | 88.2 | Confident | 80 Ų | 80 | 57 Ų | 57 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.3 | -26 | 175.5 | -69.1 | 169.3 | -15.1 | 0 | 0 | 112.6 | R691 L716 T717 R718 | R691-Q720 VanDerWaalsContact CZ-O 3.3Å; R691-Q720 PolarHBondContact NH1-O 2.91Å; R691-Q720 PolarHBondContact NH2-O 3.4Å; L716-Q720 HydrophobicContact CB-CB 4.39Å; L716-Q720 HydrophobicContact CD2-CB 3.98Å; T717-Q720 CarbonylContact O-C 3.35Å; T717-Q720 WeakPolarHBondContact O-CA 2.8Å; T717-Q720 WeakPolarHBondContact O-CB 3.18Å; T717-Q720 PolarHBondContact O-N 2.87Å; T717-Q720 VanDerWaalsContact OG1-CD 3.25Å; T717-Q720 VanDerWaalsContact OG1-CG 3.29Å; T717-Q720 WeakPolarHBondContact OG1-CG 3.27Å; T717-Q720 PolarHBondContact OG1-OE1 3.21Å; R718-Q720 VanDerWaalsContact C-N 3.31Å; R718-Q720 PolarHBondContact O-N 2.93Å |
| 721 | F | 89.3 | Confident | 88.3 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -80.5 | -43.8 | 173 | -172.4 | -89.6 | 0 | 0 | 0 | 111.5 | I608 V713 L716 T717 R718 P719 D723 L724 L725 V731 I745 | I608-F721 HydrophobicContact CD1-CE2 4.37Å; I608-F721 HydrophobicContact CD1-CZ 4.4Å; V713-F721 HydrophobicContact CG1-CD2 4.14Å; V713-F721 HydrophobicContact CG1-CE2 3.9Å; L716-F721 HydrophobicContact CD1-CD2 4.22Å; T717-F721 PolarHBondContact O-N 3.34Å; R718-F721 PolarHBondContact O-N 3.49Å; R718-F721 VanDerWaalsContact O-N 3.07Å; P719-F721 VanDerWaalsContact C-N 3.26Å; P719-F721 PolarHBondContact O-N 3Å; F721-D723 VanDerWaalsContact C-N 3.26Å; F721-D723 PolarHBondContact O-N 3.27Å; F721-L724 WeakPolarHBondContact O-CA 3.28Å; F721-L724 VanDerWaalsContact O-CB 3.31Å; F721-L724 WeakPolarHBondContact O-CB 3.33Å; F721-L724 PolarHBondContact O-N 2.94Å; F721-L725 HydrophobicContact CD1-CD1 4.3Å; F721-L725 HydrophobicContact CE1-CD1 3.98Å; F721-L725 HydrophobicContact CE1-CD2 4.28Å; F721-L725 HydrophobicContact CE1-CG 4.23Å; F721-L725 PolarHBondContact O-N 2.75Å; F721-V731 HydrophobicContact CE1-CG2 3.74Å; F721-V731 HydrophobicContact CZ-CG2 3.85Å; F721-I745 HydrophobicContact CD1-CG2 4.45Å; F721-I745 HydrophobicContact CE1-CD1 4.46Å; F721-I745 HydrophobicContact CE1-CG1 4.29Å; F721-I745 HydrophobicContact CE1-CG2 3.66Å; F721-I745 HydrophobicContact CE2-CD1 4.37Å; F721-I745 HydrophobicContact CZ-CD1 4.09Å; F721-I745 HydrophobicContact CZ-CG1 4.4Å; F721-I745 HydrophobicContact CZ-CG2 4.11Å |
| 722 | D | 90.2 | Very high | 88.6 | Confident | 56 Ų | 56 | 51.2 Ų | 51.2 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.1 | -36.1 | 176 | -64.1 | -41.7 | 0 | 0 | 0 | 111.8 | R718 P719 L724 L725 A726 | R718-D722 IonicContact CZ-OD1 2.75Å; R718-D722 VanDerWaalsContact CZ-OD1 3.25Å; R718-D722 IonicContact CZ-OD2 3.89Å; R718-D722 VanDerWaalsContact NE-CG 3.27Å; R718-D722 IonicContact NE-OD1 2.79Å; R718-D722 PolarHBondContact NE-OD1 3.31Å; R718-D722 IonicContact NE-OD2 2.76Å; R718-D722 PolarHBondContact NE-OD2 3.05Å; R718-D722 IonicContact NH2-OD1 2.67Å; R718-D722 PolarHBondContact NH2-OD1 3.48Å; R718-D722 IonicContact NH2-OD2 2.94Å; R718-D722 PolarHBondContact O-N 2.89Å; P719-D722 PolarHBondContact O-N 2.81Å; D722-L724 VanDerWaalsContact C-N 3.28Å; D722-L724 PolarHBondContact O-N 3.14Å; D722-L725 WeakPolarHBondContact O-CB 3.36Å; D722-L725 PolarHBondContact O-N 2.88Å; D722-L725 VanDerWaalsContact O-N 3.1Å; D722-A726 PolarHBondContact O-N 2.76Å |
| 723 | D | 90.4 | Very high | 88.7 | Confident | 90 Ų | 90 | 54.3 Ų | 54.3 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -53.4 | -37 | 167.7 | -95.9 | -1.5 | 0 | 0 | 0 | 113.7 | G687 R691 P719 F721 L725 A726 | G687-D723 WeakPolarHBondContact CA-O 3.33Å; R691-D723 IonicContact CZ-OD2 3.08Å; R691-D723 IonicContact NH2-OD2 3.83Å; R691-D723 PolarHBondContact NH2-OD2 2.82Å; P719-D723 WeakPolarHBondContact O-CB 3.49Å; P719-D723 PolarHBondContact O-N 2.71Å; F721-D723 VanDerWaalsContact C-N 3.26Å; F721-D723 PolarHBondContact O-N 3.27Å; D723-L725 VanDerWaalsContact C-N 3.28Å; D723-L725 PolarHBondContact O-N 2.71Å; D723-A726 VanDerWaalsContact O-CB 3.25Å; D723-A726 WeakPolarHBondContact O-CB 3.33Å; D723-A726 PolarHBondContact O-N 3.34Å |
| 724 | L | 90.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -70.7 | -27.2 | 179.2 | -65.7 | 178.5 | 0 | 0 | 0 | 111.8 | I608 N685 I688 R691 V695 L708 L716 F721 D722 A726 | I608-L724 HydrophobicContact CD1-CB 4.29Å; I608-L724 HydrophobicContact CD1-CD1 4.45Å; N685-L724 PolarHBondContact ND2-O 3.43Å; I688-L724 HydrophobicContact CD1-CB 4.22Å; I688-L724 HydrophobicContact CD1-CD2 4.33Å; R691-L724 VanDerWaalsContact NH1-CD2 3.34Å; V695-L724 HydrophobicContact CG2-CD2 4.04Å; L708-L724 HydrophobicContact CD2-CD1 3.9Å; L716-L724 HydrophobicContact CD1-CD1 3.63Å; F721-L724 WeakPolarHBondContact O-CA 3.28Å; F721-L724 VanDerWaalsContact O-CB 3.31Å; F721-L724 WeakPolarHBondContact O-CB 3.33Å; F721-L724 PolarHBondContact O-N 2.94Å; D722-L724 VanDerWaalsContact C-N 3.28Å; D722-L724 PolarHBondContact O-N 3.14Å; L724-A726 VanDerWaalsContact C-N 3.28Å |
| 725 | L | 91.6 | Very high | 88.7 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 18% | 0.183 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -80.3 | -8.3 | 177.1 | -55.4 | -177.1 | 0 | 0 | 0 | 112.8 | I608 F721 D722 D723 G727 G729 V731 | I608-L725 HydrophobicContact CD1-CD2 4.28Å; I608-L725 HydrophobicContact CG1-CD2 4.3Å; I608-L725 HydrophobicContact CG2-CD2 3.79Å; F721-L725 HydrophobicContact CD1-CD1 4.3Å; F721-L725 HydrophobicContact CE1-CD1 3.98Å; F721-L725 HydrophobicContact CE1-CD2 4.28Å; F721-L725 HydrophobicContact CE1-CG 4.23Å; F721-L725 PolarHBondContact O-N 2.75Å; D722-L725 WeakPolarHBondContact O-CB 3.36Å; D722-L725 PolarHBondContact O-N 2.88Å; D722-L725 VanDerWaalsContact O-N 3.1Å; D723-L725 VanDerWaalsContact C-N 3.28Å; D723-L725 PolarHBondContact O-N 2.71Å; L725-G727 PolarHBondContact O-N 3.5Å; L725-G729 PolarHBondContact O-N 3.41Å; L725-V731 HydrophobicContact CD1-CG2 3.95Å; L725-V731 HydrophobicContact CD2-CG2 3.7Å; L725-V731 HydrophobicContact CG-CG2 4.47Å |
| 726 | A | 90.5 | Very high | 88.7 | Confident | 42 Ų | 42 | 47.4 Ų | 47.4 | 35% | 0.347 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 137.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N685 L686 G687 D722 D723 L724 | N685-A726 PolarHBondContact ND2-O 3.32Å; L686-A726 PolarHBondContact N-O 3.28Å; L686-A726 VanDerWaalsContact N-O 3.11Å; G687-A726 PolarHBondContact N-O 3.15Å; D722-A726 PolarHBondContact O-N 2.76Å; D723-A726 VanDerWaalsContact O-CB 3.25Å; D723-A726 WeakPolarHBondContact O-CB 3.33Å; D723-A726 PolarHBondContact O-N 3.34Å; L724-A726 VanDerWaalsContact C-N 3.28Å |
| 727 | G | 86.5 | Confident | 88.5 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 42.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N685 L725 | N685-G727 WeakPolarHBondContact CB-O 3.43Å; L725-G727 PolarHBondContact O-N 3.5Å |
| 728 | C | 88 | Confident | 88.2 | Confident | 40 Ų | 40 | 49.8 Ų | 49.8 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 50.1 | 178.1 | -52.1 | 0 | 0 | 0 | 0 | 113.5 | H611 T654 | H611-C728 HydrophobicContact CB-CB 3.84Å; H611-C728 WeakPolarHBondContact CB-O 3.44Å; H611-C728 PolarHBondContact N-O 2.91Å; H611-C728 VanDerWaalsContact N-O 3.13Å; T654-C728 HydrophobicContact CG2-CB 3.6Å |
| 729 | G | 90.7 | Very high | 87.8 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 12% | 0.124 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 133.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L609 L725 | L609-G729 WeakPolarHBondContact O-CA 3.32Å; L725-G729 PolarHBondContact O-N 3.41Å |
| 730 | E | 92.1 | Very high | 87.4 | Confident | 88 Ų | 88 | 56.9 Ų | 56.9 | 41% | 0.411 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 143.7 | 179.6 | 171.4 | 179.6 | -148.1 | 0 | 0 | 109.1 | I608 L609 H611 | I608-E730 CarbonylContact C-O 3.59Å; I608-E730 WeakPolarHBondContact CA-O 3.49Å; L609-E730 HydrophobicContact CB-CB 4.28Å; L609-E730 HydrophobicContact CD1-CG 4.35Å; L609-E730 PolarHBondContact N-O 3.16Å; L609-E730 PolarHBondContact O-N 2.87Å; H611-E730 IonicContact CD2-OE2 2.68Å; H611-E730 IonicContact CE1-OE2 3.46Å; H611-E730 PolarHBondContact CE1-OE2 3.44Å; H611-E730 IonicContact NE2-OE2 3.38Å; H611-E730 PolarHBondContact NE2-OE2 2.94Å |
| 731 | V | 93 | Very high | 87.1 | Confident | 23 Ų | 23 | 53.4 Ų | 53.4 | 14% | 0.139 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129.3 | 176.6 | -172.5 | 0 | 0 | 0 | 0 | 109.6 | V606 F721 L725 E733 L736 I745 | V606-V731 HydrophobicContact CG1-CG1 3.72Å; F721-V731 HydrophobicContact CE1-CG2 3.74Å; F721-V731 HydrophobicContact CZ-CG2 3.85Å; L725-V731 HydrophobicContact CD1-CG2 3.95Å; L725-V731 HydrophobicContact CD2-CG2 3.7Å; L725-V731 HydrophobicContact CG-CG2 4.47Å; V731-E733 PolarHBondContact O-N 2.94Å; V731-L736 HydrophobicContact CG1-CD1 3.64Å; V731-L736 HydrophobicContact CG1-CG 4.26Å; V731-I745 HydrophobicContact CB-CG2 4.47Å; V731-I745 HydrophobicContact CG1-CG2 4.29Å; V731-I745 HydrophobicContact CG2-CG2 4.01Å |
| 732 | D | 92 | Very high | 86.8 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | trans | -69 | 100.1 | 173.7 | -178.8 | 7.3 | 0 | 0 | 0 | 110.2 | R593 L601 G607 L609 E734 S735 | R593-D732 IonicContact CZ-OD1 2.61Å; R593-D732 IonicContact CZ-OD2 2.7Å; R593-D732 IonicContact NH1-OD1 3.49Å; R593-D732 PolarHBondContact NH1-OD1 2.95Å; R593-D732 VanDerWaalsContact NH1-OD1 3.08Å; R593-D732 IonicContact NH1-OD2 3.81Å; R593-D732 PolarHBondContact NH1-OD2 3.05Å; R593-D732 IonicContact NH2-OD1 2.92Å; R593-D732 IonicContact NH2-OD2 3.61Å; R593-D732 PolarHBondContact NH2-OD2 2.94Å; L601-D732 VanDerWaalsContact CD2-OD2 3.25Å; L601-D732 WeakPolarHBondContact CD2-OD2 3.49Å; G607-D732 WeakPolarHBondContact O-CB 3.34Å; G607-D732 PolarHBondContact O-N 3.14Å; L609-D732 HydrophobicContact CD1-CB 4.28Å; L609-D732 HydrophobicContact CD2-CB 4.08Å; L609-D732 HydrophobicContact CG-CB 4.13Å; D732-E734 PolarHBondContact O-N 3.46Å; D732-E734 VanDerWaalsContact O-N 3.07Å; D732-E734 PolarHBondContact OD1-N 3.08Å; D732-S735 WeakPolarHBondContact O-CB 3.28Å; D732-S735 PolarHBondContact O-N 3.49Å; D732-S735 PolarHBondContact O-OG 3Å | ||
| 733 | E | 88.7 | Confident | 86.1 | Confident | 109 Ų | 109 | 56.7 Ų | 56.7 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -49.7 | -35.6 | -179.9 | -67.2 | -131.9 | -171.6 | 0 | 0 | 113.2 | V731 S735 L736 R742 M746 | V731-E733 PolarHBondContact O-N 2.94Å; E733-S735 VanDerWaalsContact C-N 3.29Å; E733-S735 PolarHBondContact O-N 2.91Å; E733-L736 PolarHBondContact O-N 3.46Å; E733-R742 IonicContact OE2-CZ 2.83Å; E733-R742 IonicContact OE2-NE 2.69Å; E733-R742 IonicContact OE2-NH2 3.24Å; E733-R742 PolarHBondContact OE2-NH2 3.1Å; E733-M746 HydrophobicContact CB-CE 3.69Å; E733-M746 HydrophobicContact CG-CE 3.4Å; E733-M746 VanDerWaalsContact CG-CE 3.4Å; E733-M746 VanDerWaalsContact OE2-CE 3.25Å; E733-M746 WeakPolarHBondContact OE2-CE 3.38Å |
| 734 | E | 85.4 | Confident | 85.4 | Confident | 77 Ų | 77 | 58.3 Ų | 58.3 | 36% | 0.36 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -77.5 | -11.9 | -176.9 | -92.8 | -164.8 | -158 | 0 | 0 | 114 | R589 R593 L601 D732 | R589-E734 IonicContact CZ-OE2 3.53Å; R589-E734 VanDerWaalsContact CZ-OE2 3.25Å; R589-E734 IonicContact NE-OE2 2.74Å; R589-E734 PolarHBondContact NE-OE2 3.18Å; R589-E734 VanDerWaalsContact NH2-CB 3.33Å; R589-E734 VanDerWaalsContact NH2-CD 3.32Å; R589-E734 VanDerWaalsContact NH2-CG 3.33Å; R589-E734 PolarHBondContact NH2-O 2.81Å; R589-E734 IonicContact NH2-OE2 3.91Å; R589-E734 PolarHBondContact NH2-OE2 2.96Å; R593-E734 WeakPolarHBondContact CD-OE2 3.4Å; R593-E734 IonicContact CZ-OE2 3.82Å; R593-E734 IonicContact NE-OE2 3.79Å; R593-E734 IonicContact NH1-OE2 3.32Å; R593-E734 PolarHBondContact NH1-OE2 3.41Å; L601-E734 HydrophobicContact CD1-CB 4.28Å; L601-E734 HydrophobicContact CD2-CB 4.32Å; D732-E734 PolarHBondContact O-N 3.46Å; D732-E734 VanDerWaalsContact O-N 3.07Å; D732-E734 PolarHBondContact OD1-N 3.08Å |
| 735 | S | 89.1 | Confident | 85 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -84.2 | -17.9 | 170.8 | 72.6 | 0 | 0 | 0 | 0 | 113 | G607 D732 E733 T737 | G607-S735 PolarHBondContact N-OG 3.27Å; D732-S735 WeakPolarHBondContact O-CB 3.28Å; D732-S735 PolarHBondContact O-N 3.49Å; D732-S735 PolarHBondContact O-OG 3Å; E733-S735 VanDerWaalsContact C-N 3.29Å; E733-S735 PolarHBondContact O-N 2.91Å; S735-T737 VanDerWaalsContact C-N 3.33Å; S735-T737 PolarHBondContact O-N 2.93Å |
| 736 | L | 85.9 | Confident | 84.3 | Confident | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | trans | -86.1 | 73.4 | -178.9 | -70.9 | 169.3 | 0 | 0 | 0 | 111.3 | V606 V731 E733 L741 R742 I745 M746 | V606-L736 HydrophobicContact CB-CD2 4.44Å; V606-L736 HydrophobicContact CG1-CD2 3.88Å; V606-L736 HydrophobicContact CG1-CG 4.29Å; V606-L736 HydrophobicContact CG2-CD2 3.66Å; V731-L736 HydrophobicContact CG1-CD1 3.64Å; V731-L736 HydrophobicContact CG1-CG 4.26Å; E733-L736 PolarHBondContact O-N 3.46Å; L736-L741 HydrophobicContact CD2-CD2 3.87Å; L736-L741 HydrophobicContact CD2-CG 3.92Å; L736-R742 HydrophobicContact CB-CB 4.03Å; L736-R742 HydrophobicContact CB-CG 4.11Å; L736-R742 HydrophobicContact CD1-CG 4.48Å; L736-I745 HydrophobicContact CD1-CB 4.33Å; L736-I745 HydrophobicContact CD1-CD1 4.48Å; L736-I745 HydrophobicContact CD1-CG2 4.12Å; L736-I745 HydrophobicContact CD2-CD1 3.71Å; L736-M746 HydrophobicContact CD1-CE 3.69Å | ||
| 737 | T | 80.4 | Confident | 82.6 | Confident | 112 Ų | 112 | 64.3 Ų | 64.3 | 69% | 0.687 | 34% | 0.335 | S | S | * | . | trans | -69.1 | -34.2 | -178.8 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | S735 P739 | S735-T737 VanDerWaalsContact C-N 3.33Å; S735-T737 PolarHBondContact O-N 2.93Å; T737-P739 WeakPolarHBondContact O-CD 3.47Å | ||
| 738 | D | 78.3 | Confident | 80.6 | Confident | 63 Ų | 63 | 68.4 Ų | 68.4 | 34% | 0.337 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -78.7 | 118.5 | 173.1 | 170.8 | 22.9 | 0 | 0 | 0 | 111 | R740 L741 R742 | D738-R740 PolarHBondContact O-N 2.88Å; D738-R740 WeakPolarHBondContact OD1-CB 3.35Å; D738-R740 PolarHBondContact OD1-N 2.82Å; D738-L741 HydrophobicContact CB-CB 3.94Å; D738-L741 PolarHBondContact O-N 2.87Å; D738-L741 WeakPolarHBondContact OD2-CB 3.49Å; D738-L741 PolarHBondContact OD2-N 3.18Å; D738-R742 WeakPolarHBondContact O-CB 3.48Å; D738-R742 PolarHBondContact O-N 2.95Å |
| 739 | P | 78.3 | Confident | 78.3 | Confident | 106 Ų | 106 | 70.2 Ų | 70.2 | 69% | 0.688 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59 | -27.4 | 175.9 | -24.1 | 35.2 | 0 | 0 | 0 | 114.4 | T737 G743 | T737-P739 WeakPolarHBondContact O-CD 3.47Å; P739-G743 PolarHBondContact O-N 3.48Å |
| 740 | R | 76.8 | Confident | 75.5 | Confident | 200 Ų | 200 | 75.3 Ų | 75.3 | 76% | 0.755 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -73.4 | -48.6 | 178.5 | -58.1 | 177.6 | 63.2 | -179.7 | -2.5 | 110.9 | D738 R742 G743 L744 | D738-R740 PolarHBondContact O-N 2.88Å; D738-R740 WeakPolarHBondContact OD1-CB 3.35Å; D738-R740 PolarHBondContact OD1-N 2.82Å; R740-R742 VanDerWaalsContact C-N 3.31Å; R740-R742 PolarHBondContact O-N 3.25Å; R740-G743 PolarHBondContact O-N 3Å; R740-L744 WeakPolarHBondContact O-CG 3.38Å; R740-L744 PolarHBondContact O-N 3.4Å |
| 741 | L | 81.3 | Confident | 72.6 | Confident | 7 Ų | 7 | 77 Ų | 77 | 4% | 0.037 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 172.1 | -165.5 | 66.5 | 0 | 0 | 0 | 111.4 | V606 I710 V713 V714 L736 D738 G743 L744 I745 | V606-L741 HydrophobicContact CG2-CD2 3.83Å; I710-L741 HydrophobicContact CD1-CD2 4.47Å; I710-L741 HydrophobicContact CG1-CD2 4.06Å; I710-L741 HydrophobicContact CG2-CD2 4Å; V713-L741 HydrophobicContact CG1-CD1 3.87Å; V714-L741 HydrophobicContact CG2-CD1 4.03Å; L736-L741 HydrophobicContact CD2-CD2 3.87Å; L736-L741 HydrophobicContact CD2-CG 3.92Å; D738-L741 HydrophobicContact CB-CB 3.94Å; D738-L741 PolarHBondContact O-N 2.87Å; D738-L741 WeakPolarHBondContact OD2-CB 3.49Å; D738-L741 PolarHBondContact OD2-N 3.18Å; L741-G743 PolarHBondContact O-N 3.5Å; L741-L744 PolarHBondContact O-N 2.91Å; L741-I745 HydrophobicContact CD1-CD1 4.07Å; L741-I745 HydrophobicContact CG-CD1 3.88Å; L741-I745 WeakPolarHBondContact O-CB 3.38Å; L741-I745 WeakPolarHBondContact O-CG1 3.37Å; L741-I745 PolarHBondContact O-N 3.29Å |
| 742 | R | 84.2 | Confident | 69.7 | Low | 112 Ų | 112 | 81.2 Ų | 81.2 | 42% | 0.423 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 173.6 | -167.3 | 175.2 | 179.3 | -159.9 | 0.8 | 111.7 | E733 L736 D738 R740 I745 M746 | E733-R742 IonicContact OE2-CZ 2.83Å; E733-R742 IonicContact OE2-NE 2.69Å; E733-R742 IonicContact OE2-NH2 3.24Å; E733-R742 PolarHBondContact OE2-NH2 3.1Å; L736-R742 HydrophobicContact CB-CB 4.03Å; L736-R742 HydrophobicContact CB-CG 4.11Å; L736-R742 HydrophobicContact CD1-CG 4.48Å; D738-R742 WeakPolarHBondContact O-CB 3.48Å; D738-R742 PolarHBondContact O-N 2.95Å; R740-R742 VanDerWaalsContact C-N 3.31Å; R740-R742 PolarHBondContact O-N 3.25Å; R742-I745 PolarHBondContact O-N 3.22Å; R742-M746 HydrophobicContact CG-CE 3.67Å; R742-M746 HydrophobicContact CG-CG 4.12Å; R742-M746 HydrophobicContact CG-SD 3.41Å; R742-M746 WeakPolarHBondContact CG-SD 3.27Å; R742-M746 PolarHBondContact NE-SD 2.86Å; R742-M746 VanDerWaalsContact O-CB 3.26Å; R742-M746 WeakPolarHBondContact O-CB 3.36Å; R742-M746 WeakPolarHBondContact O-CG 3.49Å; R742-M746 PolarHBondContact O-N 3.07Å |
| 743 | G | 74.9 | Confident | 66.7 | Low | 19 Ų | 19 | 88 Ų | 88 | 20% | 0.196 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -58.4 | -52.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P739 R740 L741 I745 M746 M747 | P739-G743 PolarHBondContact O-N 3.48Å; R740-G743 PolarHBondContact O-N 3Å; L741-G743 PolarHBondContact O-N 3.5Å; G743-I745 PolarHBondContact O-N 2.99Å; G743-I745 VanDerWaalsContact O-N 3.16Å; G743-M746 PolarHBondContact O-N 3.35Å; G743-M747 VanDerWaalsContact O-CB 3.24Å; G743-M747 WeakPolarHBondContact O-CB 3.29Å; G743-M747 WeakPolarHBondContact O-CG 3.46Å; G743-M747 PolarHBondContact O-N 3.41Å; G743-M747 VanDerWaalsContact O-N 3.09Å |
| 744 | L | 75.2 | Confident | 63.9 | Low | 124 Ų | 124 | 89.6 Ų | 89.6 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -55.7 | -33.3 | 179.6 | -75.7 | 163.1 | 0 | 0 | 0 | 113.5 | R718 R740 L741 | R718-L744 PolarHBondContact NH1-O 3.31Å; R740-L744 WeakPolarHBondContact O-CG 3.38Å; R740-L744 PolarHBondContact O-N 3.4Å; L741-L744 PolarHBondContact O-N 2.91Å |
| 745 | I | 82 | Confident | 61.2 | Low | 13 Ų | 13 | 91.1 Ų | 91.1 | 7% | 0.067 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -93.8 | -33.6 | -177 | -66.4 | 168.9 | 0 | 0 | 0 | 112.7 | V713 R718 F721 V731 L736 L741 R742 G743 | V713-I745 HydrophobicContact CG1-CD1 3.68Å; R718-I745 VanDerWaalsContact CZ-O 3.28Å; R718-I745 PolarHBondContact NH1-O 3.42Å; R718-I745 PolarHBondContact NH2-O 3.03Å; R718-I745 VanDerWaalsContact NH2-O 3.11Å; F721-I745 HydrophobicContact CD1-CG2 4.45Å; F721-I745 HydrophobicContact CE1-CD1 4.46Å; F721-I745 HydrophobicContact CE1-CG1 4.29Å; F721-I745 HydrophobicContact CE1-CG2 3.66Å; F721-I745 HydrophobicContact CE2-CD1 4.37Å; F721-I745 HydrophobicContact CZ-CD1 4.09Å; F721-I745 HydrophobicContact CZ-CG1 4.4Å; F721-I745 HydrophobicContact CZ-CG2 4.11Å; V731-I745 HydrophobicContact CB-CG2 4.47Å; V731-I745 HydrophobicContact CG1-CG2 4.29Å; V731-I745 HydrophobicContact CG2-CG2 4.01Å; L736-I745 HydrophobicContact CD1-CB 4.33Å; L736-I745 HydrophobicContact CD1-CD1 4.48Å; L736-I745 HydrophobicContact CD1-CG2 4.12Å; L736-I745 HydrophobicContact CD2-CD1 3.71Å; L741-I745 HydrophobicContact CD1-CD1 4.07Å; L741-I745 HydrophobicContact CG-CD1 3.88Å; L741-I745 WeakPolarHBondContact O-CB 3.38Å; L741-I745 WeakPolarHBondContact O-CG1 3.37Å; L741-I745 PolarHBondContact O-N 3.29Å; R742-I745 PolarHBondContact O-N 3.22Å; G743-I745 PolarHBondContact O-N 2.99Å; G743-I745 VanDerWaalsContact O-N 3.16Å |
| 746 | M | 76.9 | Confident | 58.5 | Low | 37 Ų | 37 | 98.6 Ų | 98.6 | 18% | 0.182 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -92.1 | -17.7 | -175.9 | -64.7 | -173.5 | 178.3 | 0 | 0 | 115.5 | E733 L736 R742 G743 N748 S749 | E733-M746 HydrophobicContact CB-CE 3.69Å; E733-M746 HydrophobicContact CG-CE 3.4Å; E733-M746 VanDerWaalsContact CG-CE 3.4Å; E733-M746 VanDerWaalsContact OE2-CE 3.25Å; E733-M746 WeakPolarHBondContact OE2-CE 3.38Å; L736-M746 HydrophobicContact CD1-CE 3.69Å; R742-M746 HydrophobicContact CG-CE 3.67Å; R742-M746 HydrophobicContact CG-CG 4.12Å; R742-M746 HydrophobicContact CG-SD 3.41Å; R742-M746 WeakPolarHBondContact CG-SD 3.27Å; R742-M746 PolarHBondContact NE-SD 2.86Å; R742-M746 VanDerWaalsContact O-CB 3.26Å; R742-M746 WeakPolarHBondContact O-CB 3.36Å; R742-M746 WeakPolarHBondContact O-CG 3.49Å; R742-M746 PolarHBondContact O-N 3.07Å; G743-M746 PolarHBondContact O-N 3.35Å; M746-N748 PolarHBondContact O-N 3.42Å; M746-S749 PolarHBondContact O-N 2.83Å |
| 747 | M | 55.4 | Low | 55.8 | Low | 155 Ų | 155 | 104.1 Ų | 104.1 | 76% | 0.764 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 12.4 | -170.6 | -85.5 | -178.6 | 166.5 | 0 | 0 | 117.7 | G743 | G743-M747 VanDerWaalsContact O-CB 3.24Å; G743-M747 WeakPolarHBondContact O-CB 3.29Å; G743-M747 WeakPolarHBondContact O-CG 3.46Å; G743-M747 PolarHBondContact O-N 3.41Å; G743-M747 VanDerWaalsContact O-N 3.09Å |
| 748 | N | 45.2 | Very low | 53.4 | Low | 112 Ų | 112 | 106.7 Ų | 106.7 | 60% | 0.599 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | -6 | 168.3 | -85.6 | -10.5 | 0 | 0 | 0 | 114 | M746 T750 | M746-N748 PolarHBondContact O-N 3.42Å; N748-T750 PolarHBondContact O-N 3.31Å |
| 749 | S | 38.8 | Very low | 50.9 | Low | 79 Ų | 79 | 108.7 Ų | 108.7 | 55% | 0.552 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -12 | -170.9 | -58.6 | 0 | 0 | 0 | 0 | 115.1 | M746 | M746-S749 PolarHBondContact O-N 2.83Š|
| 750 | T | 32 | Very low | 48.7 | Very low | 119 Ų | 119 | 110.4 Ų | 110.4 | 73% | 0.73 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -2.4 | -167.3 | 52.5 | 0 | 0 | 0 | 0 | 115.7 | N748 | N748-T750 PolarHBondContact O-N 3.31Š|
| 751 | N | 30.3 | Very low | 46.5 | Very low | 124 Ų | 124 | 105.4 Ų | 105.4 | 66% | 0.663 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -119.1 | 48 | -177.7 | -67.3 | 8.9 | 0 | 0 | 0 | 112 | ||
| 752 | N | 31.8 | Very low | 44.1 | Very low | 111 Ų | 111 | 110.9 Ų | 110.9 | 59% | 0.594 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -160.2 | 8.1 | 176.8 | -103.8 | -64.7 | 0 | 0 | 0 | 115.2 | ||
| 753 | N | 30.1 | Very low | 41.6 | Very low | 148 Ų | 148 | 111 Ų | 111 | 79% | 0.791 | 63% | 0.634 | S | S | * | * | trans | -141.5 | 40.5 | -171.4 | -90.5 | -51.4 | 0 | 0 | 0 | 114.2 | ||||
| 754 | D | 28.9 | Very low | 39.4 | Very low | 144 Ų | 144 | 116.4 Ų | 116.4 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | trans | -124.3 | 21.4 | 167.6 | -124.8 | -31 | 0 | 0 | 0 | 113.6 | K756 | D754-K756 PolarHBondContact O-N 3.3Š| ||
| 755 | S | 30 | Very low | 37.4 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -75.6 | 52.7 | 159.6 | 46.5 | 0 | 0 | 0 | 0 | 110.9 | T757 | S755-T757 PolarHBondContact O-N 2.98Š|
| 756 | K | 32.1 | Very low | 34.8 | Very low | 167 Ų | 167 | 125.1 Ų | 125.1 | 73% | 0.726 | 70% | 0.702 | S | S | * | * | trans | -49.5 | 123.5 | -173.7 | 179.9 | 174.6 | -177.3 | 167.9 | 0 | 113.2 | D754 Q758 | D754-K756 PolarHBondContact O-N 3.3Å; K756-Q758 PolarHBondContact O-N 3.4Å | ||
| 757 | T | 28.6 | Very low | 32.5 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -31 | 95.5 | 172.5 | -50.6 | 0 | 0 | 0 | 0 | 114.3 | S755 S759 | S755-T757 PolarHBondContact O-N 2.98Å; T757-S759 PolarHBondContact O-N 2.74Å | ||
| 758 | Q | 30.6 | Very low | 31.3 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -83.6 | 95.3 | 160.2 | -76.2 | -157.2 | 16.5 | 0 | 0 | 109.5 | K756 I760 | K756-Q758 PolarHBondContact O-N 3.4Å; Q758-I760 VanDerWaalsContact C-N 3.28Å; Q758-I760 PolarHBondContact O-N 3.45Å | ||
| 759 | S | 26.4 | Very low | 30.5 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | -66.5 | 83.8 | 166.2 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | T757 S761 | T757-S759 PolarHBondContact O-N 2.74Å; S759-S761 PolarHBondContact O-N 3.04Å | ||
| 760 | I | 31 | Very low | 29.9 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 73% | 0.728 | 75% | 0.75 | S | S | * | * | trans | -84.9 | 99.6 | 165.2 | -62.7 | -175.8 | 0 | 0 | 0 | 108.3 | Q758 | Q758-I760 VanDerWaalsContact C-N 3.28Å; Q758-I760 PolarHBondContact O-N 3.45Å | ||
| 761 | S | 30 | Very low | 29.9 | Very low | 94 Ų | 94 | 137 Ų | 137 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | trans | -54.3 | 139 | 169.4 | 46.1 | 0 | 0 | 0 | 0 | 111.7 | S759 | S759-S761 PolarHBondContact O-N 3.04Š| ||
| 762 | S | 31.3 | Very low | 29.9 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | -61.2 | 131.6 | 150 | -69 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 763 | P | 31.7 | Very low | 29.9 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | -149.1 | -171.3 | 94.7 | 40.4 | -24.2 | 0 | 0 | 0 | 115.2 | |||||
| 764 | N | 29.4 | Very low | 30 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | trans | 87.3 | 66.3 | 159.2 | -154.6 | 14.7 | 0 | 0 | 0 | 119 | K766 | N764-K766 PolarHBondContact O-N 2.95Š| ||
| 765 | V | 32.4 | Very low | 30.1 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | -70 | 111.9 | 144.3 | 178.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 766 | K | 27.7 | Very low | 30.2 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | trans | 175.6 | 106.5 | 151.3 | -97.7 | 149.1 | -171.8 | 176.2 | 0 | 112.8 | N764 | N764-K766 PolarHBondContact O-N 2.95Š| ||
| 767 | S | 29.9 | Very low | 30.2 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | 158.6 | 139.6 | 142.9 | -82.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 768 | V | 28.4 | Very low | 30.5 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 66% | 0.655 | 74% | 0.741 | S | S | * | * | cis | -160.8 | 153.1 | -13.4 | 85.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 769 | K | 28.9 | Very low | 30.6 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | trans | 66 | 148.6 | 165.7 | -73 | 166.8 | -162.3 | 169.5 | 0 | 115.9 | ||||
| 770 | R | 27.2 | Very low | 30.8 | Very low | 221 Ų | 221 | 135.1 Ų | 135.1 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | cis | -173.8 | 146.4 | -17.3 | -137.3 | -179.5 | -171.7 | 178 | 1.8 | 104.1 | ||||
| 771 | L | 30.8 | Very low | 30.9 | Very low | 126 Ų | 126 | 134 Ų | 134 | 66% | 0.66 | 74% | 0.741 | S | S | * | * | cis | -128.1 | 155.5 | 18.4 | -104.3 | 84.9 | 0 | 0 | 0 | 109.7 | ||||
| 772 | Q | 31.6 | Very low | 30.8 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | 42.1 | 131.9 | 102.6 | -61.5 | 176.7 | -33.6 | 0 | 0 | 115 | |||||
| 773 | T | 31.1 | Very low | 30.8 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | cis | -167.9 | 157 | 9.5 | 18.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 774 | T | 32 | Very low | 30.6 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | cis | -156.2 | 174.3 | 9.8 | 2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 775 | P | 32.1 | Very low | 30.7 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 70% | 0.695 | 74% | 0.737 | S | S | * | * | trans | -85.3 | -173.9 | -163.9 | 39.8 | -39.4 | 0 | 0 | 0 | 114.1 | ||||
| 776 | T | 32.1 | Very low | 30.7 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | -169.5 | 144.5 | 54 | -23.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 777 | T | 32.1 | Very low | 30.8 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | trans | 30.6 | 134.7 | 142.8 | -65.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 778 | Q | 34.7 | Very low | 30.9 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 59% | 0.589 | 74% | 0.736 | S | S | * | * | cis | -157.9 | 155.3 | -0.1 | -122.4 | 171.1 | 9.2 | 0 | 0 | 107.5 | ||||
| 779 | K | 31.6 | Very low | 30.9 | Very low | 189 Ų | 189 | 135 Ų | 135 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | cis | 74.4 | 78.5 | 30.3 | -85.9 | -162.9 | 174.9 | -172.8 | 0 | 118.4 | ||||
| 780 | S | 31.5 | Very low | 31 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | -158.4 | 121.9 | 132.6 | -59.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 781 | T | 31.9 | Very low | 31.2 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | 57.4 | 121.5 | 51.1 | 66.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 782 | T | 28.9 | Very low | 31.4 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 80% | 0.798 | 73% | 0.731 | S | S | * | * | cis | -160.8 | 129.6 | -7.4 | 10.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 783 | N | 30 | Very low | 31.7 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | trans | -164.8 | 158.5 | 173 | -123.4 | -41.1 | 0 | 0 | 0 | 114.7 | ||||
| 784 | T | 29.2 | Very low | 32 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 68% | 0.681 | 73% | 0.729 | S | S | * | * | trans | 57.8 | 98.6 | 163.6 | -43.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 785 | S | 29.7 | Very low | 32.5 | Very low | 83 Ų | 83 | 124.8 Ų | 124.8 | 58% | 0.58 | 72% | 0.723 | S | S | * | * | 69.7 | 83 | 63 | -49.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 786 | T | 33 | Very low | 32.7 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | -142.1 | 120.8 | 159.2 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 787 | N | 30.6 | Very low | 33.1 | Very low | 157 Ų | 157 | 127.2 Ų | 127.2 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | 29.3 | 97.8 | 153.5 | -62.5 | -53.6 | 0 | 0 | 0 | 119 | ||||
| 788 | L | 30.8 | Very low | 33.8 | Very low | 162 Ų | 162 | 127.5 Ų | 127.5 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | trans | -100.2 | 91.3 | 146.8 | -72.5 | -179.1 | 0 | 0 | 0 | 109.4 | V790 | L788-V790 VanDerWaalsContact C-N 3.33Å; L788-V790 HydrophobicContact CB-CG2 4.32Å; L788-V790 PolarHBondContact O-N 3.11Å | ||
| 789 | S | 30.2 | Very low | 34.6 | Very low | 113 Ų | 113 | 126 Ų | 126 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | -72.1 | 91.6 | 164.2 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | S791 | S789-S791 PolarHBondContact O-N 2.9Š| ||
| 790 | V | 29.5 | Very low | 35.4 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | trans | -76 | 77.7 | 177.7 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | L788 V792 | L788-V790 VanDerWaalsContact C-N 3.33Å; L788-V790 HydrophobicContact CB-CG2 4.32Å; L788-V790 PolarHBondContact O-N 3.11Å; V790-V792 HydrophobicContact CG1-CG2 3.95Å; V790-V792 PolarHBondContact O-N 2.85Å; V790-V792 VanDerWaalsContact O-N 3.1Å | ||
| 791 | S | 31.4 | Very low | 35.9 | Very low | 79 Ų | 79 | 123.8 Ų | 123.8 | 55% | 0.552 | 74% | 0.736 | S | S | * | * | trans | -70.7 | 97.1 | 164.1 | -169.8 | 0 | 0 | 0 | 0 | 107.9 | S789 Y793 | S789-S791 PolarHBondContact O-N 2.9Å; S791-Y793 VanDerWaalsContact C-N 3.33Å; S791-Y793 PolarHBondContact O-N 2.96Å | ||
| 792 | V | 35.2 | Very low | 36.7 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | trans | -70.2 | 93.8 | 173.8 | -176.9 | 0 | 0 | 0 | 0 | 108 | V790 S794 | V790-V792 HydrophobicContact CG1-CG2 3.95Å; V790-V792 PolarHBondContact O-N 2.85Å; V790-V792 VanDerWaalsContact O-N 3.1Å; V792-S794 PolarHBondContact O-N 3.06Å | ||
| 793 | Y | 38.3 | Very low | 37.2 | Very low | 202 Ų | 202 | 124 Ų | 124 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | trans | -66.8 | 119.3 | 168.1 | -87 | -95.1 | 0 | 0 | 0 | 108.9 | S791 | S791-Y793 VanDerWaalsContact C-N 3.33Å; S791-Y793 PolarHBondContact O-N 2.96Å | ||
| 794 | S | 36.9 | Very low | 37.4 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | trans | -68.1 | 127 | 167.7 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | V792 V796 | V792-S794 PolarHBondContact O-N 3.06Å; S794-V796 PolarHBondContact O-N 3.47Å | ||
| 795 | P | 42.3 | Very low | 37.9 | Very low | 99 Ų | 99 | 127.1 Ų | 127.1 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | trans | -73.3 | 97 | 178.4 | 29.4 | -33.1 | 0 | 0 | 0 | 110 | I797 | P795-I797 PolarHBondContact O-N 3.11Š| ||
| 796 | V | 37.6 | Very low | 38.2 | Very low | 120 Ų | 120 | 128 Ų | 128 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -69 | 103.6 | 167.9 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | S794 V798 | S794-V796 PolarHBondContact O-N 3.47Å; V796-V798 HydrophobicContact CG1-CG2 3.97Å; V796-V798 PolarHBondContact O-N 3.22Å | ||
| 797 | I | 40.6 | Very low | 38.6 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -70.2 | 98.5 | 172.3 | -61.5 | 175.3 | 0 | 0 | 0 | 107.9 | P795 | P795-I797 PolarHBondContact O-N 3.11Š| ||
| 798 | V | 45.5 | Very low | 39.1 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | trans | -87.8 | 121.3 | 173.9 | -172.4 | 0 | 0 | 0 | 0 | 108.6 | V796 | V796-V798 HydrophobicContact CG1-CG2 3.97Å; V796-V798 PolarHBondContact O-N 3.22Å | ||
| 799 | P | 51.2 | Low | 39.7 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 62% | 0.623 | 75% | 0.752 | S | S | * | * | trans | -68.2 | 144 | 174.3 | 28.3 | -33.7 | 0 | 0 | 0 | 110.8 | S801 | P799-S801 PolarHBondContact O-N 3.13Å; P799-S801 VanDerWaalsContact O-N 3.13Å | ||
| 800 | P | 49.1 | Very low | 40.4 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -68.6 | 112.5 | -175.9 | 27.1 | -33.9 | 0 | 0 | 0 | 111.4 | V802 | P800-V802 PolarHBondContact O-N 3.37Š| ||
| 801 | S | 42.8 | Very low | 41.1 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -79.8 | 111.5 | 172 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | P799 | P799-S801 PolarHBondContact O-N 3.13Å; P799-S801 VanDerWaalsContact O-N 3.13Å | ||
| 802 | V | 47.2 | Very low | 41.8 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 140.5 | 174.6 | -82 | 0 | 0 | 0 | 0 | 111.7 | P800 | P800-V802 PolarHBondContact O-N 3.37Š|
| 803 | P | 39.8 | Very low | 42.2 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -75 | 140.9 | 178.1 | 30.9 | -34.5 | 0 | 0 | 0 | 111.8 | ||
| 804 | M | 34.6 | Very low | 42.5 | Very low | 190 Ų | 190 | 135 Ų | 135 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 148.9 | 174 | -76.1 | -170.2 | 170.3 | 0 | 0 | 112.8 | ||
| 805 | V | 39.5 | Very low | 42.7 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -124.5 | 151.8 | 160.4 | 179 | 0 | 0 | 0 | 0 | 109 | ||||
| 806 | L | 36.9 | Very low | 42.5 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 53% | 0.534 | 79% | 0.788 | S | S | . | * | trans | -111.6 | 122 | -154.3 | 175.1 | 84.7 | 0 | 0 | 0 | 113.3 | N847 | L806-N847 WeakPolarHBondContact CD2-OD1 3.37Š| ||
| 807 | T | 39.9 | Very low | 42.9 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | -144.8 | 90.5 | 167.3 | 50.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 808 | R | 42.4 | Very low | 42.7 | Very low | 244 Ų | 244 | 137.3 Ų | 137.3 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | 54.7 | 156.7 | 147.2 | -65.4 | -174.4 | 75 | -169.3 | 3.9 | 123.1 | ||||
| 809 | P | 43.5 | Very low | 42.5 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -126.7 | 169.5 | -172.8 | 43.7 | -29.4 | 0 | 0 | 0 | 116.5 | ||||
| 810 | V | 44.9 | Very low | 41.9 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -144.7 | 148.5 | 157.8 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 811 | P | 42.7 | Very low | 41.3 | Very low | 117 Ų | 117 | 136 Ų | 136 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | trans | -117.1 | -143.5 | -171 | 31.6 | -8.6 | 0 | 0 | 0 | 113 | ||||
| 812 | P | 47.5 | Very low | 41.3 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | -125.9 | 170.8 | -81.5 | 38.6 | -24.8 | 0 | 0 | 0 | 114.8 | |||||
| 813 | M | 43.9 | Very low | 40.7 | Very low | 186 Ų | 186 | 136.3 Ų | 136.3 | 92% | 0.916 | 75% | 0.748 | S | S | * | * | trans | -149.6 | 159.8 | 152.6 | -75.3 | -145.6 | 88.1 | 0 | 0 | 113 | ||||
| 814 | Q | 44.4 | Very low | 40.8 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | -123.8 | 178.7 | 174.4 | -62.1 | -175.5 | -11.4 | 0 | 0 | 110.4 | ||||
| 815 | P | 41.3 | Very low | 41 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | -154.9 | 139.9 | 95.9 | 37.1 | -17.3 | 0 | 0 | 0 | 119.8 | |||||
| 816 | M | 38 | Very low | 41 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 85% | 0.852 | 74% | 0.739 | S | S | * | * | trans | 75.2 | 162.1 | 130.6 | -67.1 | 164.3 | 61.5 | 0 | 0 | 124.8 | ||||
| 817 | V | 44.7 | Very low | 41 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | trans | -145.8 | -179.3 | -157.8 | -67 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 818 | P | 38 | Very low | 41.1 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | trans | -141 | -155 | 137.6 | 26.3 | -3.6 | 0 | 0 | 0 | 116.1 | ||||
| 819 | R | 41.1 | Very low | 40.9 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | trans | -130.8 | -121.7 | -164.2 | -99.3 | 173.8 | 175.7 | -179 | -2.6 | 118.1 | Q1085 R1086 | R819-Q1085 VanDerWaalsContact CA-OE1 3.31Å; R819-Q1085 WeakPolarHBondContact O-CB 3.39Å; R819-Q1085 WeakPolarHBondContact O-CG 3.38Å; R819-Q1085 PolarHBondContact O-OE1 3.42Å; R819-Q1085 VanDerWaalsContact O-OE1 3.12Å; R819-R1086 VanDerWaalsContact C-CG 3.45Å; R819-R1086 VanDerWaalsContact CB-NE 3.26Å; R819-R1086 WeakPolarHBondContact O-CA 3.36Å; R819-R1086 PolarHBondContact O-N 2.9Å | ||
| 820 | S | 37.5 | Very low | 40.8 | Very low | 52 Ų | 52 | 129.3 Ų | 129.3 | 36% | 0.364 | 74% | 0.744 | S | S | . | * | cis | 176.7 | 119.5 | -6.3 | -71.1 | 0 | 0 | 0 | 0 | 112.1 | Q1085 R1086 | S820-Q1085 CarbonylContact C-O 3.59Å; S820-Q1085 CarbonylContact O-C 3.42Å; S820-Q1085 VanDerWaalsContact O-CA 3.27Å; S820-Q1085 WeakPolarHBondContact O-CA 3.38Å; S820-Q1085 WeakPolarHBondContact O-CB 3.46Å; S820-Q1085 PolarHBondContact O-N 2.81Å; S820-Q1085 VanDerWaalsContact O-N 3.11Å; S820-Q1085 VanDerWaalsContact O-O 3.12Å; S820-R1086 VanDerWaalsContact CA-CB 3.49Å; S820-R1086 PolarHBondContact OG-NH2 3.47Å | ||
| 821 | V | 37.7 | Very low | 40.6 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 47% | 0.467 | 74% | 0.735 | S | S | . | * | cis | -160.2 | -162 | -36.2 | -138.2 | 0 | 0 | 0 | 0 | 108.1 | Q1085 R1086 | V821-Q1085 WeakPolarHBondContact CA-O 3.39Å; V821-Q1085 PolarHBondContact N-O 2.76Å; V821-R1086 HydrophobicContact CB-CB 4.19Å; V821-R1086 HydrophobicContact CG1-CB 3.97Å; V821-R1086 HydrophobicContact CG2-CB 4.44Å | ||
| 822 | P | 42.2 | Very low | 40.7 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | cis | -141.2 | 164.5 | -41 | 40.7 | -21.2 | 0 | 0 | 0 | 120.3 | ||||
| 823 | L | 35.4 | Very low | 40.4 | Very low | 156 Ų | 156 | 128 Ų | 128 | 82% | 0.817 | 74% | 0.738 | S | S | * | * | trans | 69.1 | 162.3 | 141.6 | -72 | 166.3 | 0 | 0 | 0 | 125.1 | ||||
| 824 | I | 41.5 | Very low | 40.3 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | -153.4 | 169.8 | 59.4 | -77.6 | 170.5 | 0 | 0 | 0 | 115.3 | |||||
| 825 | L | 38 | Very low | 40.1 | Very low | 141 Ų | 141 | 129 Ų | 129 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | -144 | 163.4 | -170 | -125.7 | 156.1 | 0 | 0 | 0 | 113.4 | ||||
| 826 | P | 38.7 | Very low | 40.1 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | -159.4 | -161.6 | 107 | 41.3 | -20.8 | 0 | 0 | 0 | 115.7 | |||||
| 827 | L | 37 | Very low | 40.6 | Very low | 157 Ų | 157 | 125.9 Ų | 125.9 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | -170.3 | 144.7 | -69 | 175.8 | 61.6 | 0 | 0 | 0 | 112.5 | |||||
| 828 | V | 42 | Very low | 40.4 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 78% | 0.782 | 72% | 0.718 | S | S | * | * | trans | 158.7 | 116.3 | 151.1 | 150.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 829 | A | 38.8 | Very low | 40.5 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | 82.2 | 144.1 | 57.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 830 | A | 40.6 | Very low | 40.2 | Very low | 94 Ų | 94 | 124.8 Ų | 124.8 | 78% | 0.777 | 73% | 0.726 | S | S | * | * | cis | -171.3 | 174.1 | -0.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 831 | S | 41.5 | Very low | 40.1 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | cis | -173 | 163.7 | -29.6 | 66.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 832 | V | 45.3 | Very low | 40 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | 59.8 | 175.2 | 157.9 | -56.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 833 | P | 40.4 | Very low | 39.4 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | cis | -126.1 | -174.5 | -30.4 | 17.1 | 8.1 | 0 | 0 | 0 | 112.4 | ||||
| 834 | R | 41.6 | Very low | 39.4 | Very low | 222 Ų | 222 | 137.8 Ų | 137.8 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | cis | 172.3 | 156.9 | -16.9 | 172.6 | -176.7 | 170.5 | -177.5 | -1.4 | 108.2 | ||||
| 835 | M | 40.4 | Very low | 38.9 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | trans | 123.8 | 113.7 | 156.9 | -63.9 | -152 | 86.6 | 0 | 0 | 112.5 | ||||
| 836 | S | 42.3 | Very low | 38.6 | Very low | 84 Ų | 84 | 137.9 Ų | 137.9 | 59% | 0.587 | 76% | 0.76 | S | S | * | * | cis | 96.3 | 144.1 | 38.1 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 837 | V | 47 | Very low | 38.4 | Very low | 136 Ų | 136 | 137 Ų | 137 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | cis | -140.9 | -156.5 | 22.3 | -136.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 838 | P | 40.4 | Very low | 38.2 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | trans | -118.4 | -167.8 | -144.8 | 43.7 | -21.8 | 0 | 0 | 0 | 114.9 | ||||
| 839 | T | 40.6 | Very low | 37.8 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | -171.2 | 116.8 | 79.6 | -59.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 840 | Q | 35.1 | Very low | 37.7 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | 28.2 | 142 | 146.1 | -52.3 | -141.5 | 50.9 | 0 | 0 | 124.6 | ||||
| 841 | P | 35.6 | Very low | 37.6 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | trans | -95 | 153.1 | 166.5 | 38.4 | -32.5 | 0 | 0 | 0 | 113.2 | ||||
| 842 | L | 35.5 | Very low | 37.6 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | -123.1 | 124.8 | 174.2 | -112 | -76 | 0 | 0 | 0 | 111.8 | ||||
| 843 | Y | 29.4 | Very low | 37.3 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -58.7 | 145.5 | 167.3 | -42.7 | -100 | 0 | 0 | 0 | 110.8 | ||||
| 844 | F | 35 | Very low | 37.7 | Very low | 207 Ų | 207 | 144.4 Ų | 144.4 | 91% | 0.908 | 76% | 0.761 | S | S | * | * | -158.1 | 171.8 | 124.3 | -124 | -85.9 | 0 | 0 | 0 | 111.3 | |||||
| 845 | Q | 31.5 | Very low | 38.6 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -121.3 | 156 | -160.6 | -162.1 | 179 | -6.8 | 0 | 0 | 111.1 | ||||
| 846 | Q | 31.7 | Very low | 39.9 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 92 | 122.6 | 145 | -147.6 | 153.6 | 8.4 | 0 | 0 | 121 | ||||
| 847 | N | 34.1 | Very low | 41.3 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 55% | 0.545 | 76% | 0.759 | S | S | . | * | trans | 64.2 | 108 | 145.5 | -68.8 | 8.4 | 0 | 0 | 0 | 123.4 | L806 | L806-N847 WeakPolarHBondContact CD2-OD1 3.37Š| ||
| 848 | N | 32.6 | Very low | 42.9 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 58% | 0.583 | 76% | 0.756 | S | S | * | * | 62.8 | 134.3 | 119.6 | -66.9 | 8.4 | 0 | 0 | 0 | 123.8 | |||||
| 849 | T | 34.5 | Very low | 44.8 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | 81.1 | 150.1 | 143.3 | 38.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 850 | T | 37.7 | Very low | 46.7 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 71.4 | 94.1 | 167.9 | 22.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 851 | T | 37.6 | Very low | 49 | Very low | 135 Ų | 135 | 132 Ų | 132 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | 46.8 | 102.2 | 126.3 | 56.5 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 852 | A | 42.4 | Very low | 51.2 | Low | 101 Ų | 101 | 131.2 Ų | 131.2 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | trans | -145 | 138.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 853 | S | 38.4 | Very low | 53.4 | Low | 130 Ų | 130 | 127.8 Ų | 127.8 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | trans | -72.1 | 131.2 | 174.3 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 854 | R | 47.7 | Very low | 56.1 | Low | 242 Ų | 242 | 123.8 Ų | 123.8 | 91% | 0.913 | 73% | 0.725 | S | S | * | * | trans | -135.6 | 128.9 | 170 | -165.2 | 170.5 | -179.3 | 177.8 | -0.6 | 109.1 | ||||
| 855 | A | 60.9 | Low | 58.4 | Low | 84 Ų | 84 | 119.3 Ų | 119.3 | 69% | 0.694 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 151.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 856 | P | 67.7 | Low | 60.8 | Low | 115 Ų | 115 | 117.3 Ų | 117.3 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 147.8 | 169.2 | 28.6 | -35.2 | 0 | 0 | 0 | 110.5 | ||
| 857 | P | 73 | Confident | 63.3 | Low | 114 Ų | 114 | 115.6 Ų | 115.6 | 74% | 0.74 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 154.1 | 175.7 | 28.8 | -35.1 | 0 | 0 | 0 | 111.4 | ||
| 858 | P | 79.9 | Confident | 65.7 | Low | 115 Ų | 115 | 116.1 Ų | 116.1 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 151.4 | 175.6 | 28.3 | -35.2 | 0 | 0 | 0 | 111.4 | ||
| 859 | P | 79.2 | Confident | 68 | Low | 112 Ų | 112 | 116.4 Ų | 116.4 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -65 | 151.4 | 173.4 | 29.3 | -35 | 0 | 0 | 0 | 111.1 | ||
| 860 | P | 80.5 | Confident | 70.3 | Confident | 83 Ų | 83 | 115.8 Ų | 115.8 | 54% | 0.539 | 74% | 0.735 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 152.7 | 174.9 | 28.9 | -36 | 0 | 0 | 0 | 111.4 | S941 | P860-S941 VanDerWaalsContact CG-O 3.3Å; P860-S941 WeakPolarHBondContact CG-O 3.43Å |
| 861 | P | 84.5 | Confident | 72.6 | Confident | 110 Ų | 110 | 115.3 Ų | 115.3 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 150.6 | 175.3 | 28.4 | -35.1 | 0 | 0 | 0 | 111.3 | ||
| 862 | P | 82.3 | Confident | 74.7 | Confident | 84 Ų | 84 | 114.3 Ų | 114.3 | 55% | 0.545 | 73% | 0.73 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 145.4 | 175.7 | 25.5 | -33.7 | 0 | 0 | 0 | 111.1 | ||
| 863 | P | 81 | Confident | 76.5 | Confident | 82 Ų | 82 | 115 Ų | 115 | 53% | 0.532 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 147.2 | 175.1 | 27.5 | -34.7 | 0 | 0 | 0 | 110.7 | ||
| 864 | P | 86 | Confident | 78.7 | Confident | 113 Ų | 113 | 114.3 Ų | 114.3 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 152.2 | 176.5 | 26.8 | -34.9 | 0 | 0 | 0 | 110.9 | ||
| 865 | P | 83.6 | Confident | 80.5 | Confident | 114 Ų | 114 | 108.4 Ų | 108.4 | 74% | 0.74 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 144.6 | 175.3 | 26.5 | -34.5 | 0 | 0 | 0 | 110.2 | ||
| 866 | P | 80.5 | Confident | 81.4 | Confident | 115 Ų | 115 | 108.4 Ų | 108.4 | 75% | 0.747 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 142.8 | 173.2 | 27.2 | -34.2 | 0 | 0 | 0 | 109.5 | ||
| 867 | P | 84.7 | Confident | 82.2 | Confident | 115 Ų | 115 | 107.3 Ų | 107.3 | 75% | 0.747 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 146.5 | 175.6 | 26.2 | -34.3 | 0 | 0 | 0 | 109.8 | ||
| 868 | P | 84.9 | Confident | 82.7 | Confident | 113 Ų | 113 | 107.3 Ų | 107.3 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 144 | 175.9 | 25.7 | -34.2 | 0 | 0 | 0 | 109.7 | ||
| 869 | P | 80.7 | Confident | 82.7 | Confident | 116 Ų | 116 | 103.8 Ų | 103.8 | 75% | 0.753 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 140.2 | 174.2 | 26.5 | -34 | 0 | 0 | 0 | 109.1 | ||
| 870 | P | 82.6 | Confident | 82.9 | Confident | 115 Ų | 115 | 104 Ų | 104 | 75% | 0.747 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 143.4 | 175.6 | 25.8 | -34 | 0 | 0 | 0 | 109.5 | ||
| 871 | P | 85.6 | Confident | 82.9 | Confident | 113 Ų | 113 | 105.6 Ų | 105.6 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 145.1 | 177.6 | 25.5 | -34.1 | 0 | 0 | 0 | 110 | ||
| 872 | P | 81.7 | Confident | 82.3 | Confident | 115 Ų | 115 | 105.9 Ų | 105.9 | 75% | 0.747 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -59 | 139.2 | 175.6 | 26.4 | -34 | 0 | 0 | 0 | 109.4 | ||
| 873 | P | 81.3 | Confident | 82 | Confident | 116 Ų | 116 | 107.9 Ų | 107.9 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -60 | 142.6 | 175.5 | 26.3 | -34 | 0 | 0 | 0 | 109.7 | ||
| 874 | P | 85.4 | Confident | 81.1 | Confident | 115 Ų | 115 | 110.8 Ų | 110.8 | 75% | 0.747 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 149.1 | 177.2 | 26.4 | -34.4 | 0 | 0 | 0 | 110.5 | ||
| 875 | P | 83.9 | Confident | 79.7 | Confident | 117 Ų | 117 | 114.4 Ų | 114.4 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 143.1 | 176.8 | 27.1 | -34.4 | 0 | 0 | 0 | 110.5 | ||
| 876 | P | 81 | Confident | 78.3 | Confident | 84 Ų | 84 | 114.7 Ų | 114.7 | 55% | 0.545 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 147.8 | 173.4 | 28.5 | -34.6 | 0 | 0 | 0 | 110.3 | ||
| 877 | P | 84.4 | Confident | 76.6 | Confident | 92 Ų | 92 | 114.8 Ų | 114.8 | 60% | 0.597 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 157.3 | 178.6 | 27.9 | -35.1 | 0 | 0 | 0 | 112.2 | ||
| 878 | P | 83.6 | Confident | 75.2 | Confident | 115 Ų | 115 | 117.5 Ų | 117.5 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 159.2 | 169.2 | 31.2 | -35.5 | 0 | 0 | 0 | 111.3 | ||
| 879 | P | 79.7 | Confident | 73.9 | Confident | 41 Ų | 41 | 118.2 Ų | 118.2 | 27% | 0.266 | 74% | 0.738 | S | S | . | * | P | Polyproline II helix | trans | -83.2 | 160.4 | -177.5 | 36.5 | -35.1 | 0 | 0 | 0 | 111.6 | Q977 N979 | P879-Q977 WeakPolarHBondContact CG-O 3.42Å; P879-N979 HydrophobicContact CB-CB 3.71Å; P879-N979 HydrophobicContact CG-CB 4.25Å |
| 880 | P | 83.6 | Confident | 72.3 | Confident | 116 Ų | 116 | 118.3 Ų | 118.3 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 144.1 | 162.3 | 30.1 | -34 | 0 | 0 | 0 | 110.6 | ||
| 881 | P | 80.3 | Confident | 71.4 | Confident | 116 Ų | 116 | 118.5 Ų | 118.5 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 151.8 | 174.2 | 29.3 | -35 | 0 | 0 | 0 | 111.7 | ||
| 882 | P | 71.6 | Confident | 70.4 | Confident | 117 Ų | 117 | 119 Ų | 119 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 146.7 | 175.3 | 30 | -34.7 | 0 | 0 | 0 | 111.7 | ||
| 883 | P | 75.4 | Confident | 68.6 | Low | 126 Ų | 126 | 119.6 Ų | 119.6 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -73 | 142.5 | -177.2 | 29.6 | -35.2 | 0 | 0 | 0 | 112.9 | ||
| 884 | T | 63.5 | Low | 67.1 | Low | 143 Ų | 143 | 118.6 Ų | 118.6 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 131.9 | 175 | 47.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 885 | Q | 55.1 | Low | 65.2 | Low | 188 Ų | 188 | 118.6 Ų | 118.6 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 138 | 178.1 | -154.6 | 171.1 | 10.8 | 0 | 0 | 110.9 | ||
| 886 | P | 55.4 | Low | 63.5 | Low | 121 Ų | 121 | 120.7 Ų | 120.7 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 160.8 | -174.1 | 31.8 | -36.2 | 0 | 0 | 0 | 114.4 | ||
| 887 | S | 45.2 | Very low | 61.8 | Low | 116 Ų | 116 | 121.3 Ų | 121.3 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 144.6 | -174.7 | 53.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 888 | I | 54.8 | Low | 59.9 | Low | 172 Ų | 172 | 121.3 Ų | 121.3 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | trans | -137.3 | 143.9 | 161 | -56.4 | -178.7 | 0 | 0 | 0 | 109.2 | ||||
| 889 | T | 56.7 | Low | 58.3 | Low | 129 Ų | 129 | 124.7 Ų | 124.7 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 163.4 | -173 | 40.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 890 | P | 48.4 | Very low | 56.7 | Low | 117 Ų | 117 | 127.3 Ų | 127.3 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -102 | 164 | -167.6 | 39.4 | -36.4 | 0 | 0 | 0 | 116.1 | ||
| 891 | P | 62.4 | Low | 54.7 | Low | 119 Ų | 119 | 129.9 Ų | 129.9 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 162.2 | 168.1 | 37.8 | -33.4 | 0 | 0 | 0 | 114.2 | ||
| 892 | P | 64.2 | Low | 52.7 | Low | 125 Ų | 125 | 128.8 Ų | 128.8 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 169.4 | -175.7 | 37.2 | -36.7 | 0 | 0 | 0 | 115.8 | ||
| 893 | P | 44.7 | Very low | 51.1 | Low | 127 Ų | 127 | 129.4 Ų | 129.4 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -115.3 | 164.4 | -165 | 41.7 | -33.4 | 0 | 0 | 0 | 117.3 | ||||
| 894 | A | 49 | Very low | 49.3 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -164.8 | 167.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 895 | T | 46 | Very low | 48.1 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | cis | -173.7 | 124.6 | -33.9 | -83.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 896 | I | 48.3 | Very low | 47.2 | Very low | 161 Ų | 161 | 122.3 Ų | 122.3 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | 67.2 | 146.6 | 162.9 | -70.7 | 167.3 | 0 | 0 | 0 | 115.8 | ||||
| 897 | S | 45 | Very low | 46.4 | Very low | 96 Ų | 96 | 122 Ų | 122 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | cis | -142.9 | 161.9 | 18.5 | -165.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 898 | S | 45.7 | Very low | 45.8 | Very low | 92 Ų | 92 | 119.5 Ų | 119.5 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | trans | 32.4 | 115.1 | 150 | 53.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 899 | Q | 48.4 | Very low | 44.8 | Very low | 186 Ų | 186 | 117.6 Ų | 117.6 | 87% | 0.869 | 74% | 0.738 | S | S | * | * | 67.2 | 154 | 60.5 | -72.9 | -163.1 | -21.5 | 0 | 0 | 115.9 | |||||
| 900 | P | 47.1 | Very low | 43.5 | Very low | 96 Ų | 96 | 117.9 Ų | 117.9 | 62% | 0.623 | 73% | 0.73 | S | S | * | * | cis | -120.8 | -170 | -16 | 27 | -4 | 0 | 0 | 0 | 110.3 | ||||
| 901 | H | 42.2 | Very low | 42.5 | Very low | 170 Ų | 170 | 122.2 Ų | 122.2 | 79% | 0.787 | 73% | 0.731 | S | S | * | * | cis | -137.4 | -177.9 | -1.8 | -42.9 | -116.8 | 0 | 0 | 0 | 106.7 | ||||
| 902 | S | 37.2 | Very low | 41 | Very low | 93 Ų | 93 | 121.4 Ų | 121.4 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | cis | -155.9 | 116.4 | -18.4 | 20.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 903 | T | 38.3 | Very low | 39.7 | Very low | 130 Ų | 130 | 120.3 Ų | 120.3 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | 58.8 | 137.6 | 89.6 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 904 | T | 38.7 | Very low | 39.1 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 73% | 0.73 | 71% | 0.709 | S | S | * | * | cis | -176.5 | 156.8 | 8 | -107.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 905 | T | 38 | Very low | 38.2 | Very low | 83 Ų | 83 | 119.5 Ų | 119.5 | 51% | 0.509 | 70% | 0.704 | S | S | . | * | cis | -175.5 | 131.8 | -14.3 | -81.7 | 0 | 0 | 0 | 0 | 109 | R1017 | T905-R1017 PolarHBondContact O-NH1 3.25Š| ||
| 906 | T | 36.4 | Very low | 37.5 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 66% | 0.656 | 71% | 0.709 | S | S | * | * | trans | 47 | 160.8 | 139.7 | -50 | 0 | 0 | 0 | 0 | 121.8 | R1017 | T906-R1017 PolarHBondContact O-NH2 3.36Š| ||
| 907 | P | 38.3 | Very low | 36.9 | Very low | 115 Ų | 115 | 117.4 Ų | 117.4 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | cis | -110 | 177.9 | -14.6 | 16.6 | 6.9 | 0 | 0 | 0 | 113.6 | ||||
| 908 | G | 32.9 | Very low | 36.3 | Very low | 62 Ų | 62 | 119.2 Ų | 119.2 | 64% | 0.639 | 70% | 0.704 | S | S | * | * | cis | 169.5 | 168.2 | -4.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 909 | C | 32.1 | Very low | 35.6 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 89% | 0.892 | 70% | 0.703 | S | S | * | * | trans | 57.7 | 103.6 | 171.6 | -57 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 910 | Q | 29.8 | Very low | 34.7 | Very low | 136 Ų | 136 | 117.1 Ų | 117.1 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | cis | 86.3 | 141.5 | 28 | -149.1 | -173 | 40.3 | 0 | 0 | 116.4 | ||||
| 911 | W | 28.3 | Very low | 34.1 | Very low | 207 Ų | 207 | 120.6 Ų | 120.6 | 78% | 0.784 | 70% | 0.699 | S | S | * | * | trans | 82.8 | 92.1 | 176.3 | -57.2 | 95.2 | 0 | 0 | 0 | 115.9 | ||||
| 912 | N | 30.8 | Very low | 33.8 | Very low | 103 Ų | 103 | 119.8 Ų | 119.8 | 55% | 0.551 | 70% | 0.696 | S | S | * | * | cis | 83.7 | 160.3 | 48.6 | -133 | 23.4 | 0 | 0 | 0 | 112.5 | ||||
| 913 | P | 36.7 | Very low | 33.7 | Very low | 101 Ų | 101 | 120.7 Ų | 120.7 | 66% | 0.656 | 70% | 0.697 | S | S | * | * | -135.3 | -178.3 | -117.1 | 40.4 | -19.6 | 0 | 0 | 0 | 116.6 | |||||
| 914 | G | 31.5 | Very low | 33.7 | Very low | 70 Ų | 70 | 118.7 Ų | 118.7 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | trans | -166.7 | 132.5 | 161 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 915 | I | 31.4 | Very low | 33.4 | Very low | 136 Ų | 136 | 119.5 Ų | 119.5 | 70% | 0.697 | 69% | 0.694 | S | S | * | * | cis | 96.7 | 106.4 | 26.6 | -62.5 | 176.4 | 0 | 0 | 0 | 114.5 | ||||
| 916 | N | 31.5 | Very low | 33.4 | Very low | 149 Ų | 149 | 122.7 Ų | 122.7 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | trans | 84.1 | 156 | 145.8 | -101.9 | -27.6 | 0 | 0 | 0 | 125 | ||||
| 917 | A | 34.4 | Very low | 33.4 | Very low | 83 Ų | 83 | 124.6 Ų | 124.6 | 69% | 0.686 | 70% | 0.704 | S | S | * | * | trans | 67.4 | 118.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 918 | N | 31.8 | Very low | 33.2 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | cis | 86.2 | 119.7 | 41.5 | -76.6 | -20.8 | 0 | 0 | 0 | 115.1 | ||||
| 919 | N | 31.2 | Very low | 33.4 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 63% | 0.631 | 70% | 0.703 | S | S | * | * | trans | 70.5 | 107.6 | 130.1 | -62.1 | -13.6 | 0 | 0 | 0 | 120.8 | ||||
| 920 | N | 31.3 | Very low | 33.7 | Very low | 116 Ų | 116 | 129 Ų | 129 | 62% | 0.62 | 69% | 0.692 | S | S | * | * | 70.8 | 137.9 | 110 | -56.7 | -15.8 | 0 | 0 | 0 | 121 | |||||
| 921 | Q | 32.5 | Very low | 34 | Very low | 169 Ų | 169 | 130.1 Ų | 130.1 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | trans | 70.3 | 157.3 | 147.7 | -67.4 | 156.3 | -21.6 | 0 | 0 | 114.6 | ||||
| 922 | H | 36.5 | Very low | 34.3 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | cis | -140.7 | 125.5 | 5.9 | -144.4 | -135.3 | 0 | 0 | 0 | 106.5 | ||||
| 923 | V | 36.1 | Very low | 34.6 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | 76.5 | 139.2 | 93.2 | 165.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 924 | A | 37.2 | Very low | 34.4 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | 77.8 | 153.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 925 | N | 33.6 | Very low | 34.6 | Very low | 137 Ų | 137 | 134 Ų | 134 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | cis | -171.1 | 160.5 | -40 | -145.5 | -9.7 | 0 | 0 | 0 | 110.3 | ||||
| 926 | Q | 37.8 | Very low | 34.7 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | trans | 65.6 | 155.5 | 163.8 | -59.4 | 177.8 | 105.6 | 0 | 0 | 115 | ||||
| 927 | Q | 36.3 | Very low | 34.8 | Very low | 147 Ų | 147 | 135 Ų | 135 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | cis | -155 | 176.6 | -3.2 | -128.9 | 177.7 | 69.2 | 0 | 0 | 106.5 | ||||
| 928 | L | 34.3 | Very low | 34.7 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 65% | 0.654 | 71% | 0.71 | S | S | * | * | cis | -158.5 | 170.2 | 5 | 179.9 | 61.8 | 0 | 0 | 0 | 107.5 | ||||
| 929 | L | 37.3 | Very low | 34.7 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 69% | 0.691 | 71% | 0.712 | S | S | * | * | trans | 68.4 | 143.3 | 173.4 | -65.3 | 111.8 | 0 | 0 | 0 | 117.5 | ||||
| 930 | Q | 36.7 | Very low | 34.8 | Very low | 145 Ų | 145 | 134 Ų | 134 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | cis | -164.9 | 159.9 | -29.7 | -128.7 | 170.5 | 50.2 | 0 | 0 | 112.4 | ||||
| 931 | Q | 37.4 | Very low | 35 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | trans | 74.6 | 95.6 | 156.4 | -62.4 | 178.2 | 48.7 | 0 | 0 | 122.8 | ||||
| 932 | N | 34.5 | Very low | 35.1 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 84% | 0.84 | 70% | 0.7 | S | S | * | * | 72.8 | 157.7 | 124.8 | -76.9 | -10.4 | 0 | 0 | 0 | 125.5 | |||||
| 933 | P | 37.5 | Very low | 35.2 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 69% | 0.688 | 70% | 0.695 | S | S | * | * | trans | -144.3 | 163.2 | -151.7 | 43.4 | -23.4 | 0 | 0 | 0 | 120 | ||||
| 934 | K | 31.5 | Very low | 35.2 | Very low | 202 Ų | 202 | 122.2 Ų | 122.2 | 88% | 0.878 | 69% | 0.693 | S | S | * | * | trans | 60.8 | 172.5 | 148.4 | -105.2 | -175.8 | 176.9 | -179.8 | 0 | 118.6 | ||||
| 935 | P | 35.9 | Very low | 35.2 | Very low | 96 Ų | 96 | 125.8 Ų | 125.8 | 62% | 0.623 | 70% | 0.7 | S | S | * | * | cis | -136.7 | -166.5 | -7.3 | 43.2 | -23.9 | 0 | 0 | 0 | 116.5 | ||||
| 936 | E | 33.6 | Very low | 35.6 | Very low | 166 Ų | 166 | 129.9 Ų | 129.9 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | 83.4 | 138.7 | 145.4 | -80.4 | -172.4 | 133.8 | 0 | 0 | 126.4 | ||||
| 937 | L | 33.1 | Very low | 35.9 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | trans | 61.7 | 116.6 | 144.8 | -96.6 | 70.7 | 0 | 0 | 0 | 127.1 | ||||
| 938 | S | 33.1 | Very low | 36.1 | Very low | 89 Ų | 89 | 130 Ų | 130 | 62% | 0.622 | 71% | 0.705 | S | S | * | * | 70.2 | 116.8 | 122.1 | 70.2 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 939 | T | 31.2 | Very low | 36.3 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | 68.4 | 100.8 | 128 | 59.6 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 940 | S | 34 | Very low | 36.4 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | 62.2 | 129.8 | 120.9 | 68.8 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 941 | S | 34.9 | Very low | 36.5 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 47% | 0.469 | 72% | 0.715 | S | S | . | * | trans | 72.8 | 148.3 | 134.5 | -74.4 | 0 | 0 | 0 | 0 | 120.8 | P860 | P860-S941 VanDerWaalsContact CG-O 3.3Å; P860-S941 WeakPolarHBondContact CG-O 3.43Å | ||
| 942 | V | 35.5 | Very low | 36.9 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 61% | 0.606 | 71% | 0.706 | S | S | * | * | cis | -169.4 | 167.2 | -11 | 116.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 943 | A | 37.9 | Very low | 37.1 | Very low | 73 Ų | 73 | 126.6 Ų | 126.6 | 60% | 0.603 | 69% | 0.694 | S | S | * | * | trans | 83.7 | 153.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 944 | G | 36 | Very low | 37.3 | Very low | 62 Ų | 62 | 128.8 Ų | 128.8 | 64% | 0.639 | 70% | 0.7 | S | S | * | * | cis | 169.5 | -170.6 | -6.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 945 | L | 37.1 | Very low | 37.6 | Very low | 164 Ų | 164 | 123.8 Ų | 123.8 | 86% | 0.859 | 69% | 0.687 | S | S | * | * | trans | 79.7 | 153.7 | 178.9 | -52.4 | 176.8 | 0 | 0 | 0 | 116.4 | ||||
| 946 | R | 41.9 | Very low | 37.9 | Very low | 222 Ų | 222 | 127.7 Ų | 127.7 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | cis | 168 | 172.5 | -33.5 | -106.8 | -164.3 | -175.4 | -148.4 | 3 | 107.3 | ||||
| 947 | P | 44 | Very low | 38 | Very low | 84 Ų | 84 | 124.8 Ų | 124.8 | 55% | 0.545 | 69% | 0.691 | S | S | . | * | cis | -140.3 | -154.3 | -49 | 40.4 | -19.1 | 0 | 0 | 0 | 113.3 | ||||
| 948 | Y | 40.8 | Very low | 38.2 | Very low | 217 Ų | 217 | 126.8 Ų | 126.8 | 85% | 0.851 | 69% | 0.694 | S | S | * | * | trans | 103 | 160.6 | 165.7 | -62.3 | -61.9 | 0 | 0 | 0 | 119.3 | ||||
| 949 | N | 38.2 | Very low | 38.4 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | -164.7 | 136.4 | -125.5 | -165.5 | -1.8 | 0 | 0 | 0 | 116.4 | |||||
| 950 | R | 39.1 | Very low | 38.6 | Very low | 186 Ų | 186 | 128.9 Ų | 128.9 | 70% | 0.702 | 70% | 0.699 | S | S | * | * | trans | 64.2 | 176.8 | 159.6 | -98.6 | -173.9 | 176.6 | -147.3 | -1.3 | 118.1 | ||||
| 951 | P | 39.8 | Very low | 39.1 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 79% | 0.786 | 70% | 0.704 | S | S | * | * | cis | -125.4 | -172.2 | 14.6 | 39.8 | -19.7 | 0 | 0 | 0 | 116.8 | ||||
| 952 | P | 46.5 | Very low | 39.1 | Very low | 85 Ų | 85 | 130.8 Ų | 130.8 | 55% | 0.552 | 72% | 0.722 | S | S | * | * | trans | -131.3 | -157 | -161.3 | 42.2 | -24.2 | 0 | 0 | 0 | 117.1 | ||||
| 953 | L | 37.5 | Very low | 39.1 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 60% | 0.597 | 74% | 0.736 | S | S | * | * | trans | 95.3 | 147.4 | 167.7 | -56.3 | -168.5 | 0 | 0 | 0 | 116.6 | ||||
| 954 | L | 41.5 | Very low | 39.1 | Very low | 153 Ų | 153 | 139 Ų | 139 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | cis | -153.8 | 179.6 | -3.9 | -103.4 | 159.6 | 0 | 0 | 0 | 109.5 | ||||
| 955 | P | 38.8 | Very low | 39 | Very low | 96 Ų | 96 | 147.3 Ų | 147.3 | 62% | 0.623 | 76% | 0.764 | S | S | * | * | trans | -121.2 | 164.5 | -158.5 | 43.6 | -36.4 | 0 | 0 | 0 | 119.6 | ||||
| 956 | H | 42.2 | Very low | 39 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | -148.3 | 139.4 | 151.8 | -73 | -64.3 | 0 | 0 | 0 | 107.9 | ||||
| 957 | T | 35.6 | Very low | 38.8 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 64% | 0.638 | 74% | 0.744 | S | S | * | * | 87.1 | 141 | 59.1 | -41 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 958 | F | 37.8 | Very low | 38.5 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | 77 | 132.7 | 179.5 | -54.1 | -82.2 | 0 | 0 | 0 | 116.9 | ||||
| 959 | L | 35.8 | Very low | 38.1 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | cis | 95.7 | 145.2 | 31.1 | -70.7 | 178 | 0 | 0 | 0 | 114.4 | ||||
| 960 | P | 36.4 | Very low | 38.1 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | -117.7 | -108.3 | -117.1 | 23.4 | 0.7 | 0 | 0 | 0 | 120.1 | |||||
| 961 | P | 43.7 | Very low | 37.7 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | -119 | 161.6 | -123.9 | 38.3 | -22.7 | 0 | 0 | 0 | 117 | |||||
| 962 | G | 34.8 | Very low | 37.4 | Very low | 81 Ų | 81 | 140.9 Ų | 140.9 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | trans | -148.2 | 160.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 963 | Q | 36.2 | Very low | 36.8 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | trans | -97.3 | 155.8 | -166.2 | -57.9 | 168.5 | -5 | 0 | 0 | 114.7 | ||||
| 964 | T | 38 | Very low | 36.5 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 95% | 0.945 | 76% | 0.757 | S | S | * | * | trans | -149.9 | 152.2 | 139 | 12.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 965 | R | 32.8 | Very low | 36 | Very low | 236 Ų | 236 | 141.1 Ų | 141.1 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | trans | -114.6 | -173.5 | -178.8 | -131.8 | -174.1 | 156.9 | -167.6 | -4.1 | 107.9 | ||||
| 966 | P | 38 | Very low | 35.6 | Very low | 91 Ų | 91 | 142.7 Ų | 142.7 | 59% | 0.591 | 76% | 0.757 | S | S | * | * | cis | -134.8 | -179.1 | -15.4 | 34.6 | -14 | 0 | 0 | 0 | 114.7 | ||||
| 967 | Q | 37.9 | Very low | 35.2 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | 153.3 | 136.1 | 126.7 | -78 | -67.2 | 15.9 | 0 | 0 | 113.1 | |||||
| 968 | Q | 37 | Very low | 35.3 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | 37 | 115.5 | 145.7 | -70 | 169.8 | 57.6 | 0 | 0 | 120.7 | ||||
| 969 | Q | 33.4 | Very low | 35 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | 109.6 | 162.3 | 64.8 | -93.6 | -167.4 | 22.3 | 0 | 0 | 111 | |||||
| 970 | P | 36.2 | Very low | 34.9 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | -136.7 | -172.8 | -79.7 | 30 | -4.6 | 0 | 0 | 0 | 116.3 | |||||
| 971 | Y | 32.2 | Very low | 35.2 | Very low | 200 Ų | 200 | 142.3 Ų | 142.3 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | trans | 78.3 | 112.2 | 165 | -71.5 | -93.4 | 0 | 0 | 0 | 122.9 | ||||
| 972 | M | 32.1 | Very low | 35.4 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | 75.7 | 135.8 | 127.6 | -67 | -64.7 | 171.6 | 0 | 0 | 125.4 | |||||
| 973 | N | 34 | Very low | 35.7 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | trans | 72.5 | 106.5 | 142 | -67.8 | -8.9 | 0 | 0 | 0 | 123.4 | ||||
| 974 | S | 31.6 | Very low | 35.8 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | 73.6 | 119.6 | 115 | -61.6 | 0 | 0 | 0 | 0 | 124 | |||||
| 975 | V | 31.7 | Very low | 35.8 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 74% | 0.739 | 71% | 0.714 | S | S | * | * | 87.5 | 128.3 | 121.8 | 171 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 976 | N | 31 | Very low | 36 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 68% | 0.684 | 70% | 0.702 | S | S | * | * | trans | 70.1 | 110.8 | 151.6 | -81.2 | -23.2 | 0 | 0 | 0 | 125.2 | ||||
| 977 | Q | 33.3 | Very low | 35.9 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | 81.9 | 158.2 | 116.9 | -78.1 | -160.9 | 59 | 0 | 0 | 124.6 | P879 | P879-Q977 WeakPolarHBondContact CG-O 3.42Š| |||
| 978 | P | 37.5 | Very low | 36.3 | Very low | 88 Ų | 88 | 138.9 Ų | 138.9 | 57% | 0.571 | 72% | 0.717 | S | S | * | * | trans | -115.8 | 163.7 | -164.5 | 42.8 | -32.1 | 0 | 0 | 0 | 115.6 | ||||
| 979 | N | 32.4 | Very low | 36.8 | Very low | 94 Ų | 94 | 138 Ų | 138 | 50% | 0.503 | 72% | 0.724 | S | S | . | * | trans | -174.9 | 147 | 161.9 | -116.2 | -41.6 | 0 | 0 | 0 | 117.8 | P879 | P879-N979 HydrophobicContact CB-CB 3.71Å; P879-N979 HydrophobicContact CG-CB 4.25Å | ||
| 980 | R | 31.9 | Very low | 37 | Very low | 193 Ų | 193 | 133 Ų | 133 | 73% | 0.728 | 72% | 0.719 | S | S | * | * | trans | 89.3 | 143.9 | 140.2 | -78.7 | 173.6 | -171.9 | -152.3 | 0.2 | 125.3 | ||||
| 981 | F | 43.5 | Very low | 37 | Very low | 182 Ų | 182 | 137 Ų | 137 | 80% | 0.798 | 74% | 0.735 | S | S | * | * | trans | -108.3 | 162.3 | 163.7 | -61.3 | -106.1 | 0 | 0 | 0 | 110.7 | ||||
| 982 | P | 47.3 | Very low | 37.2 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | trans | -93.5 | -173.1 | 158.4 | 0.9 | 21.7 | 0 | 0 | 0 | 111.5 | ||||
| 983 | N | 41.2 | Very low | 37.3 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | cis | -176.2 | 174 | -24.9 | -96.6 | -2.5 | 0 | 0 | 0 | 107.1 | ||||
| 984 | N | 38.7 | Very low | 37.4 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | cis | -175.3 | 177.1 | -35.5 | -171.2 | 13.8 | 0 | 0 | 0 | 108.5 | ||||
| 985 | M | 37.4 | Very low | 37.6 | Very low | 166 Ų | 166 | 135 Ų | 135 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | 81.2 | 148.1 | 159.5 | -60.5 | -169.8 | 175.6 | 0 | 0 | 121 | ||||
| 986 | S | 38.2 | Very low | 37.8 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | cis | -174.5 | 121.4 | -22.3 | -172.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 987 | F | 36.5 | Very low | 38.1 | Very low | 195 Ų | 195 | 135.9 Ų | 135.9 | 86% | 0.855 | 74% | 0.735 | S | S | * | * | trans | 42.9 | 168.7 | 134.7 | -73.8 | -67.2 | 0 | 0 | 0 | 126.3 | ||||
| 988 | P | 45.1 | Very low | 38.2 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | cis | -129.7 | -104.9 | -11.6 | 26.2 | 2.1 | 0 | 0 | 0 | 119.6 | ||||
| 989 | P | 48.4 | Very low | 38.1 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -144.8 | -175.1 | -139.5 | 45.6 | -22.6 | 0 | 0 | 0 | 121.1 | ||||
| 990 | G | 37.1 | Very low | 38.7 | Very low | 69 Ų | 69 | 137.8 Ų | 137.8 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 138.5 | 111.2 | 138.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 991 | L | 36.4 | Very low | 38.8 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 93% | 0.932 | 76% | 0.761 | S | S | * | * | trans | 60 | 158.9 | 149.9 | -55.3 | 177.6 | 0 | 0 | 0 | 121.4 | ||||
| 992 | N | 35.6 | Very low | 38.3 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | cis | -169.3 | 170.3 | -31.5 | -175.4 | 31.2 | 0 | 0 | 0 | 111.6 | ||||
| 993 | N | 35.4 | Very low | 37.7 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 92 | 160.4 | 161.4 | -80.1 | -19.3 | 0 | 0 | 0 | 122.6 | ||||
| 994 | N | 34.5 | Very low | 37.4 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | -127.5 | 166.9 | -155 | -48.2 | -75 | 0 | 0 | 0 | 114.8 | ||||
| 995 | N | 36.5 | Very low | 37.2 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | -176.4 | 128.6 | 127.7 | -101.6 | -41.9 | 0 | 0 | 0 | 116.2 | |||||
| 996 | Q | 36.9 | Very low | 37.1 | Very low | 172 Ų | 172 | 136 Ų | 136 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 59.8 | 150.8 | 141.5 | -61.3 | 173.5 | 52.5 | 0 | 0 | 120.4 | ||||
| 997 | S | 35.4 | Very low | 36.9 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | cis | -147.4 | 157.8 | 13.6 | 49.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 998 | T | 36.9 | Very low | 37.1 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | trans | 44 | 112.5 | 154.6 | 50.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 999 | L | 35.3 | Very low | 36.6 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | 83.4 | 151.4 | 52.7 | -68.5 | 173.7 | 0 | 0 | 0 | 115.3 | |||||
| 1000 | P | 43.9 | Very low | 35.8 | Very low | 103 Ų | 103 | 134 Ų | 134 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | cis | -143.5 | -166.6 | -42.8 | 37.6 | -17.5 | 0 | 0 | 0 | 114.9 | ||||
| 1001 | R | 34.5 | Very low | 35.6 | Very low | 226 Ų | 226 | 136 Ų | 136 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | trans | 82.3 | 143.1 | 165.7 | -63 | -167.1 | 144.9 | -176.2 | -6 | 117.5 | ||||
| 1002 | L | 33.4 | Very low | 35.4 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 63% | 0.634 | 72% | 0.72 | S | S | * | * | cis | -155.2 | 153.1 | -6.8 | -148 | 77 | 0 | 0 | 0 | 111.5 | ||||
| 1003 | N | 34.1 | Very low | 35 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | trans | 59.8 | 148.2 | 152 | -74.7 | 7.6 | 0 | 0 | 0 | 120.7 | ||||
| 1004 | T | 35.6 | Very low | 34.9 | Very low | 96 Ų | 96 | 131.1 Ų | 131.1 | 59% | 0.589 | 71% | 0.714 | S | S | * | * | cis | -161.7 | 126.5 | -10.7 | -94.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1005 | M | 34.4 | Very low | 34.7 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 82% | 0.823 | 72% | 0.717 | S | S | * | * | trans | 49.8 | 160 | 150 | -60.7 | 176.2 | 176.4 | 0 | 0 | 121.3 | ||||
| 1006 | L | 35.4 | Very low | 34.5 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | cis | -156.1 | 156.6 | -29.1 | -102.2 | 165.4 | 0 | 0 | 0 | 106.3 | ||||
| 1007 | P | 33.3 | Very low | 34.1 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 72% | 0.721 | 71% | 0.709 | S | S | * | * | trans | -83.5 | 167.8 | -176.6 | 34.7 | -33.8 | 0 | 0 | 0 | 113.8 | ||||
| 1008 | P | 40.7 | Very low | 33.8 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | trans | -92.7 | 160.9 | -165.9 | 37.1 | -36.9 | 0 | 0 | 0 | 114.3 | ||||
| 1009 | H | 34.1 | Very low | 33.5 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 79% | 0.792 | 72% | 0.719 | S | S | * | * | trans | -153.7 | 129 | 161.3 | -122.1 | -87.5 | 0 | 0 | 0 | 114.6 | ||||
| 1010 | S | 32.5 | Very low | 33.5 | Very low | 89 Ų | 89 | 135 Ų | 135 | 62% | 0.622 | 72% | 0.718 | S | S | * | * | trans | 46.5 | 153.8 | 144 | 54 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1011 | S | 33.4 | Very low | 33.1 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | 74.3 | 153.6 | 141.7 | 45.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 1012 | S | 30.8 | Very low | 32.8 | Very low | 67 Ų | 67 | 130 Ų | 130 | 47% | 0.469 | 72% | 0.717 | S | S | . | * | cis | -175.7 | 113.4 | -24.6 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1013 | W | 28.7 | Very low | 32.6 | Very low | 189 Ų | 189 | 129.1 Ų | 129.1 | 72% | 0.716 | 72% | 0.72 | S | S | * | * | trans | 64.2 | 178.5 | 162.5 | -55.2 | 34.4 | 0 | 0 | 0 | 112.3 | ||||
| 1014 | S | 32.7 | Very low | 32.4 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | cis | -157.2 | 147.7 | 11.9 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1015 | D | 30.4 | Very low | 32.3 | Very low | 149 Ų | 149 | 130 Ų | 130 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | 61.8 | 175.2 | 158.4 | -48.9 | -34.1 | 0 | 0 | 0 | 116.3 | ||||
| 1016 | V | 32.8 | Very low | 32.2 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | cis | -139.5 | 157.3 | 15.9 | 177 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1017 | R | 27.8 | Very low | 32.3 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 56% | 0.555 | 73% | 0.726 | S | S | * | * | trans | -35.7 | 154.9 | 171.9 | -71.6 | -175.5 | -178.8 | 136.7 | 7 | 120.8 | T905 T906 | T905-R1017 PolarHBondContact O-NH1 3.25Å; T906-R1017 PolarHBondContact O-NH2 3.36Å | ||
| 1018 | F | 28.8 | Very low | 32.4 | Very low | 186 Ų | 186 | 128.9 Ų | 128.9 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | trans | 53.6 | 125.3 | 138.1 | -79.9 | -121.9 | 0 | 0 | 0 | 120.6 | ||||
| 1019 | S | 30.4 | Very low | 32.2 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | 171.2 | 158.5 | 101.7 | -69.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1020 | E | 35.1 | Very low | 32.4 | Very low | 175 Ų | 175 | 126.5 Ų | 126.5 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -70.3 | 170.1 | 157.7 | -65.9 | 173.4 | 97 | 0 | 0 | 110.4 | ||||
| 1021 | P | 36.2 | Very low | 32.5 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | -138.5 | 147.1 | 102.7 | 37.6 | -27.5 | 0 | 0 | 0 | 114.9 | |||||
| 1022 | S | 28.5 | Very low | 32.7 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | trans | -82.9 | 160.6 | 167.9 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1023 | S | 29.2 | Very low | 33.1 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | 86.2 | 131.6 | 150.4 | -54.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 1024 | S | 29.4 | Very low | 33.5 | Very low | 94 Ų | 94 | 130.2 Ų | 130.2 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | trans | 59.2 | 123.1 | 147.9 | 61.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 1025 | N | 33.3 | Very low | 33.6 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | -161.2 | 164.9 | 64.6 | -91.9 | -66.6 | 0 | 0 | 0 | 115.7 | |||||
| 1026 | I | 33.1 | Very low | 33.8 | Very low | 150 Ų | 150 | 133 Ų | 133 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -97.2 | 143.1 | 177.5 | -71.5 | 164.8 | 0 | 0 | 0 | 107.2 | ||||
| 1027 | P | 37 | Very low | 33.9 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | -157.9 | 151.4 | 80.1 | 40.8 | -18.4 | 0 | 0 | 0 | 121.5 | |||||
| 1028 | V | 34.9 | Very low | 34.4 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | 42.5 | 133.2 | 129.8 | -174.6 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1029 | G | 36.6 | Very low | 34.6 | Very low | 62 Ų | 62 | 134.7 Ų | 134.7 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | trans | 168.2 | 80.8 | 149 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1030 | H | 38.8 | Very low | 34.7 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | trans | 62.2 | 159 | 148.9 | -80.8 | -108.6 | 0 | 0 | 0 | 119.2 | ||||
| 1031 | F | 33.9 | Very low | 34.8 | Very low | 171 Ų | 171 | 134.2 Ų | 134.2 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | cis | -169.5 | 138.8 | -20.1 | -169.1 | -137.5 | 0 | 0 | 0 | 105.8 | ||||
| 1032 | V | 39.1 | Very low | 34.5 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 61% | 0.606 | 75% | 0.746 | S | S | * | * | 165.2 | 131.1 | 103.9 | 158 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1033 | Q | 37.5 | Very low | 34.5 | Very low | 163 Ų | 163 | 136 Ų | 136 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | 36.2 | 121.2 | 147.9 | -68.6 | 167.5 | -38.6 | 0 | 0 | 121.5 | ||||
| 1034 | S | 37.4 | Very low | 34.7 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | 93.5 | 146.7 | 73.5 | -70.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1035 | N | 35.8 | Very low | 34.6 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | cis | -158.1 | 157.3 | 7.5 | -116.2 | 2.4 | 0 | 0 | 0 | 113.4 | ||||
| 1036 | Q | 35.3 | Very low | 34.5 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 64.7 | 96.5 | 146 | -64.9 | 176.8 | 54.7 | 0 | 0 | 123.5 | ||||
| 1037 | L | 34.6 | Very low | 34.2 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | -22.8 | 177.9 | 124 | -79.3 | 167.3 | 0 | 0 | 0 | 118.7 | |||||
| 1038 | P | 37 | Very low | 33.8 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | cis | -146.2 | -175.8 | -11.4 | 27.8 | -1.9 | 0 | 0 | 0 | 118.4 | ||||
| 1039 | R | 33.4 | Very low | 33.5 | Very low | 239 Ų | 239 | 136 Ų | 136 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | trans | 99.4 | 156.8 | 148 | -55.9 | -153.1 | -176.2 | -148.4 | -0.6 | 121.7 | ||||
| 1040 | I | 32.9 | Very low | 33 | Very low | 156 Ų | 156 | 138 Ų | 138 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | trans | -135.8 | 144.8 | -168.7 | -51.8 | 156.8 | 0 | 0 | 0 | 104 | ||||
| 1041 | P | 36.1 | Very low | 32.7 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | -156.4 | 178 | 80.2 | 42.5 | -20 | 0 | 0 | 0 | 119.3 | |||||
| 1042 | S | 30.6 | Very low | 32.3 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -52.3 | 154.1 | 175.1 | -32.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1043 | N | 29.3 | Very low | 31.8 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | -178 | 162.7 | 99.2 | -162.2 | 17.7 | 0 | 0 | 0 | 113.5 | |||||
| 1044 | S | 32.1 | Very low | 31.3 | Very low | 84 Ų | 84 | 141 Ų | 141 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | trans | 57.5 | 113.6 | 147.4 | 53.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1045 | N | 27.2 | Very low | 30.9 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | 22.1 | 127 | 133.2 | -53.5 | -2.4 | 0 | 0 | 0 | 119.6 | ||||
| 1046 | N | 32.7 | Very low | 30.6 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | -166 | 166.7 | 103.6 | -99.1 | -36.3 | 0 | 0 | 0 | 113.2 | |||||
| 1047 | N | 26.8 | Very low | 30.4 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | -78 | 171.5 | -178.2 | -67.6 | -41.8 | 0 | 0 | 0 | 113.7 | ||||
| 1048 | S | 27.8 | Very low | 30.1 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | 106.8 | 148.4 | 141.6 | 77.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1049 | S | 28.7 | Very low | 29.8 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | trans | 63.5 | 87.5 | 163.3 | 36.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1050 | S | 25.5 | Very low | 29.5 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | 27.3 | 111 | 113.9 | -44.6 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1051 | L | 32.2 | Very low | 29.4 | Very low | 167 Ų | 167 | 124.4 Ų | 124.4 | 87% | 0.874 | 68% | 0.681 | S | S | * | * | -141.4 | 112.8 | 129.3 | -74.2 | -178.6 | 0 | 0 | 0 | 105.8 | |||||
| 1052 | N | 25.8 | Very low | 29.1 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | 46.9 | 92.5 | 61.7 | -73.6 | 1.7 | 0 | 0 | 0 | 113.6 | |||||
| 1053 | Y | 29.8 | Very low | 29 | Very low | 227 Ų | 227 | 130.6 Ų | 130.6 | 89% | 0.89 | 69% | 0.689 | S | S | * | * | trans | -147.4 | 122.3 | 133.9 | -122.4 | -77.2 | 0 | 0 | 0 | 110.7 | ||||
| 1054 | E | 26 | Very low | 29.7 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | trans | -117.2 | 133.7 | 177.5 | -179.4 | -179.9 | 143 | 0 | 0 | 107.8 | Q1056 | E1054-Q1056 PolarHBondContact OE1-NE2 3.3Š| ||
| 1055 | M | 29.3 | Very low | 29.9 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 70% | 0.695 | 69% | 0.688 | S | S | * | * | trans | -140.7 | 143.2 | 158.5 | -77.6 | -148.5 | -54.9 | 0 | 0 | 108.8 | ||||
| 1056 | Q | 29.4 | Very low | 30 | Very low | 70 Ų | 70 | 132.8 Ų | 132.8 | 33% | 0.327 | 69% | 0.691 | S | S | . | * | trans | -153.4 | 100.1 | -154.3 | -178.2 | -178.2 | 115.3 | 0 | 0 | 110.7 | E174 M175 P177 E1054 | E174-Q1056 WeakPolarHBondContact OE1-CA 3.43Å; E174-Q1056 PolarHBondContact OE1-N 2.99Å; M175-Q1056 HydrophobicContact CB-CB 4.24Å; M175-Q1056 HydrophobicContact CB-CG 3.86Å; M175-Q1056 HydrophobicContact CE-CB 4.21Å; M175-Q1056 HydrophobicContact CE-CG 3.87Å; M175-Q1056 HydrophobicContact CG-CG 4.34Å; M175-Q1056 HydrophobicContact SD-CB 3.74Å; M175-Q1056 HydrophobicContact SD-CG 3.85Å; P177-Q1056 VanDerWaalsContact CD-OE1 3.27Å; E1054-Q1056 PolarHBondContact OE1-NE2 3.3Å | ||
| 1057 | I | 30.1 | Very low | 30.8 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 61% | 0.605 | 69% | 0.685 | S | S | * | * | trans | -129 | 85.4 | -177.3 | -48 | -177.6 | 0 | 0 | 0 | 112.8 | E174 M175 | E174-I1057 PolarHBondContact OE1-N 2.81Å; M175-I1057 CarbonylContact O-C 3.58Å | ||
| 1058 | N | 29.9 | Very low | 31.3 | Very low | 51 Ų | 51 | 129.5 Ų | 129.5 | 27% | 0.273 | 69% | 0.686 | S | S | . | * | 24.2 | 147.3 | 117.3 | -113.5 | -21.3 | 0 | 0 | 0 | 119.6 | M175 P176 P177 | M175-N1058 PolarHBondContact O-N 3.01Å; P176-N1058 WeakPolarHBondContact O-CA 3.36Å; P176-N1058 WeakPolarHBondContact O-CB 3.49Å; P176-N1058 PolarHBondContact O-N 2.81Å; P176-N1058 PolarHBondContact O-OD1 2.71Å; P177-N1058 WeakPolarHBondContact CA-OD1 3.3Å; P177-N1058 VanDerWaalsContact N-CG 3.26Å; P177-N1058 PolarHBondContact O-ND2 2.91Å; P177-N1058 PolarHBondContact O-OD1 3.13Å; P177-N1058 VanDerWaalsContact O-OD1 3.13Å | |||
| 1059 | E | 29.2 | Very low | 31.8 | Very low | 133 Ų | 133 | 127.3 Ų | 127.3 | 62% | 0.621 | 68% | 0.681 | S | S | * | * | cis | -151.7 | 141.7 | 32.6 | -80 | -147 | 152 | 0 | 0 | 115.9 | ||||
| 1060 | K | 28.3 | Very low | 32.4 | Very low | 77 Ų | 77 | 127.8 Ų | 127.8 | 34% | 0.335 | 68% | 0.681 | S | S | . | * | 50.7 | 166 | 120.1 | -56.4 | 173.4 | -164 | 163.9 | 0 | 122.2 | P177 T178 | P177-K1060 WeakPolarHBondContact O-CE 3.44Å; T178-K1060 WeakPolarHBondContact O-CE 3.31Å; T178-K1060 PolarHBondContact O-NZ 3.05Å | |||
| 1061 | T | 31.2 | Very low | 32.5 | Very low | 113 Ų | 113 | 129 Ų | 129 | 69% | 0.693 | 68% | 0.679 | S | S | * | * | 179 | 144 | -60.9 | 35.3 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1062 | F | 30 | Very low | 32.2 | Very low | 189 Ų | 189 | 129.4 Ų | 129.4 | 83% | 0.829 | 67% | 0.674 | S | S | * | * | trans | 61 | 146 | 151.9 | -94.3 | -115.9 | 0 | 0 | 0 | 121.1 | ||||
| 1063 | I | 27.8 | Very low | 32.3 | Very low | 174 Ų | 174 | 129 Ų | 129 | 89% | 0.892 | 68% | 0.676 | S | S | * | * | -160.8 | 136.4 | 115.2 | -94.8 | 151.4 | 0 | 0 | 0 | 110.6 | |||||
| 1064 | S | 42.8 | Very low | 32.4 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 64% | 0.643 | 67% | 0.668 | S | S | * | * | trans | -151.5 | 140.9 | 166.3 | 178.1 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 1065 | P | 37.2 | Very low | 32.5 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 72% | 0.721 | 68% | 0.676 | S | S | * | * | -127.2 | -136.4 | 51.1 | 31.3 | -6.8 | 0 | 0 | 0 | 111.4 | |||||
| 1066 | R | 28.7 | Very low | 32.9 | Very low | 223 Ų | 223 | 126.4 Ų | 126.4 | 84% | 0.842 | 68% | 0.682 | S | S | * | * | cis | -160.8 | 147.5 | 9.5 | -150.3 | 172.8 | -165.2 | -120.7 | 6.3 | 109.8 | ||||
| 1067 | P | 49.3 | Very low | 33.1 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | trans | -75.7 | 158.4 | 178.1 | 33.6 | -38.4 | 0 | 0 | 0 | 112.6 | ||||
| 1068 | P | 37.7 | Very low | 33.3 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 81% | 0.812 | 71% | 0.71 | S | S | * | * | -146.9 | -175.3 | 98.4 | 39.9 | -23.6 | 0 | 0 | 0 | 114.9 | |||||
| 1069 | G | 39.1 | Very low | 33.3 | Very low | 64 Ų | 64 | 131.8 Ų | 131.8 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | trans | -89.7 | -155.1 | 159 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1070 | P | 41.3 | Very low | 33.4 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | cis | -144.5 | -164.8 | 4.9 | 44.7 | -24.9 | 0 | 0 | 0 | 115.8 | ||||
| 1071 | L | 26.7 | Very low | 33.6 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | trans | 71 | 135.6 | 151.4 | -70 | 176.9 | 0 | 0 | 0 | 124.2 | ||||
| 1072 | F | 26.7 | Very low | 33.5 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 77% | 0.768 | 77% | 0.765 | S | S | * | * | trans | 63.1 | 151.8 | 146.8 | -63.7 | -40.4 | 0 | 0 | 0 | 120.4 | ||||
| 1073 | T | 28.7 | Very low | 33.5 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | cis | -159.8 | -178.9 | -2.3 | 5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1074 | C | 30 | Very low | 33.7 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 72% | 0.716 | 75% | 0.748 | S | S | * | * | trans | 95.5 | 97 | 160.7 | -131.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1075 | Q | 30.1 | Very low | 33.2 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | 69 | 140.6 | 87.9 | -64.4 | -178.7 | 21.2 | 0 | 0 | 114.3 | |||||
| 1076 | Q | 36.9 | Very low | 32.9 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | cis | -136.7 | 173.4 | 28.1 | -73.6 | -177.8 | -7.6 | 0 | 0 | 116.3 | ||||
| 1077 | S | 33.6 | Very low | 33.3 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | trans | -45.7 | 167.2 | 174.4 | 47.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1078 | G | 33.9 | Very low | 32.8 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | cis | 154.9 | 166.9 | -9.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1079 | L | 29.3 | Very low | 32.6 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | trans | 70.7 | 148.9 | 151.1 | -83.8 | 163.8 | 0 | 0 | 0 | 124.7 | ||||
| 1080 | R | 32.1 | Very low | 32.5 | Very low | 206 Ų | 206 | 134.6 Ų | 134.6 | 78% | 0.777 | 71% | 0.709 | S | S | * | * | trans | 73.5 | 125.4 | 176.2 | -48.6 | -167.6 | 88.5 | 177 | 4.5 | 115.1 | ||||
| 1081 | Q | 31.6 | Very low | 32 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | 67.1 | 134.8 | 58.3 | -61.9 | 175.6 | -1.4 | 0 | 0 | 111.8 | |||||
| 1082 | Q | 30.1 | Very low | 32.2 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | cis | -163.6 | 167.5 | 29.8 | -144.1 | 174.9 | 2.5 | 0 | 0 | 112.6 | ||||
| 1083 | M | 30.1 | Very low | 32.3 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 67% | 0.665 | 72% | 0.721 | S | S | * | * | trans | 64.9 | 119.4 | 162.2 | -74.6 | -179.8 | -82.6 | 0 | 0 | 119.1 | ||||
| 1084 | Q | 32.7 | Very low | 32.6 | Very low | 151 Ų | 151 | 143.7 Ų | 143.7 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | 87.8 | 136.1 | 68.6 | -79.2 | 177.5 | 21.8 | 0 | 0 | 114 | |||||
| 1085 | Q | 32.3 | Very low | 33.3 | Very low | 70 Ų | 70 | 143.4 Ų | 143.4 | 33% | 0.327 | 72% | 0.718 | S | S | . | * | cis | -179.2 | -171.2 | -7.7 | -135.3 | -179.4 | 41.7 | 0 | 0 | 110.8 | R819 S820 V821 | R819-Q1085 VanDerWaalsContact CA-OE1 3.31Å; R819-Q1085 WeakPolarHBondContact O-CB 3.39Å; R819-Q1085 WeakPolarHBondContact O-CG 3.38Å; R819-Q1085 PolarHBondContact O-OE1 3.42Å; R819-Q1085 VanDerWaalsContact O-OE1 3.12Å; S820-Q1085 CarbonylContact C-O 3.59Å; S820-Q1085 CarbonylContact O-C 3.42Å; S820-Q1085 VanDerWaalsContact O-CA 3.27Å; S820-Q1085 WeakPolarHBondContact O-CA 3.38Å; S820-Q1085 WeakPolarHBondContact O-CB 3.46Å; S820-Q1085 PolarHBondContact O-N 2.81Å; S820-Q1085 VanDerWaalsContact O-N 3.11Å; S820-Q1085 VanDerWaalsContact O-O 3.12Å; V821-Q1085 WeakPolarHBondContact CA-O 3.39Å; V821-Q1085 PolarHBondContact N-O 2.76Å | ||
| 1086 | R | 30.4 | Very low | 33.6 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 39% | 0.392 | 72% | 0.717 | S | S | . | * | trans | 50.8 | 152.4 | 178.8 | -108.7 | -177.5 | -85 | 175.4 | 7.9 | 120.4 | R819 S820 V821 | R819-R1086 VanDerWaalsContact C-CG 3.45Å; R819-R1086 VanDerWaalsContact CB-NE 3.26Å; R819-R1086 WeakPolarHBondContact O-CA 3.36Å; R819-R1086 PolarHBondContact O-N 2.9Å; S820-R1086 VanDerWaalsContact CA-CB 3.49Å; S820-R1086 PolarHBondContact OG-NH2 3.47Å; V821-R1086 HydrophobicContact CB-CB 4.19Å; V821-R1086 HydrophobicContact CG1-CB 3.97Å; V821-R1086 HydrophobicContact CG2-CB 4.44Å | ||
| 1087 | L | 36.9 | Very low | 33.6 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 73% | 0.728 | 72% | 0.715 | S | S | * | * | cis | 74.6 | 151.6 | 19.6 | -86.8 | 83.5 | 0 | 0 | 0 | 118.3 | ||||
| 1088 | P | 38.6 | Very low | 33.4 | Very low | 94 Ų | 94 | 145 Ų | 145 | 61% | 0.61 | 71% | 0.712 | S | S | * | * | cis | -150.5 | -169.4 | -27 | 42.4 | -22.3 | 0 | 0 | 0 | 117.3 | ||||
| 1089 | L | 32.8 | Very low | 33.2 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 86% | 0.859 | 71% | 0.713 | S | S | * | * | trans | 91 | 153.4 | 150.4 | -68.9 | 171.4 | 0 | 0 | 0 | 122.7 | ||||
| 1090 | P | 37.4 | Very low | 33.2 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 68% | 0.682 | 71% | 0.705 | S | S | * | * | trans | -136.1 | -173.2 | -161.2 | 45.7 | -28.2 | 0 | 0 | 0 | 116.5 | ||||
| 1091 | Q | 31.3 | Very low | 33.2 | Very low | 180 Ų | 180 | 144.3 Ų | 144.3 | 84% | 0.841 | 70% | 0.704 | S | S | * | * | 178.3 | 136.9 | 130 | -101.9 | -179.5 | 27.9 | 0 | 0 | 117.5 | |||||
| 1092 | Q | 30.7 | Very low | 33.2 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 69% | 0.687 | 71% | 0.706 | S | S | * | * | trans | 39.6 | 121.7 | 136.2 | -75 | -84 | -7 | 0 | 0 | 123.4 | ||||
| 1093 | R | 29.3 | Very low | 33.2 | Very low | 240 Ų | 240 | 142.5 Ų | 142.5 | 91% | 0.906 | 71% | 0.707 | S | S | * | * | 178.9 | 170.6 | 101.7 | -92.8 | -168.3 | -161.3 | -153.4 | 6.4 | 114.8 | |||||
| 1094 | H | 34.9 | Very low | 33.4 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 81% | 0.806 | 71% | 0.714 | S | S | * | * | trans | -111.9 | -164.7 | -177 | -77.7 | -82.3 | 0 | 0 | 0 | 111.3 | ||||
| 1095 | P | 44.3 | Very low | 33.4 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | -141.5 | -173 | -59.7 | 42.2 | -26 | 0 | 0 | 0 | 116.4 | |||||
| 1096 | H | 36 | Very low | 33.5 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | trans | 92.4 | 153.5 | 143.4 | -85.8 | -53.4 | 0 | 0 | 0 | 124.7 | ||||
| 1097 | H | 36.6 | Very low | 34.1 | Very low | 164 Ų | 164 | 150 Ų | 150 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | 71.2 | 158.3 | 176.4 | -66.4 | 88.7 | 0 | 0 | 0 | 119.3 | ||||
| 1098 | Q | 29.6 | Very low | 33.9 | Very low | 158 Ų | 158 | 152.3 Ų | 152.3 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | cis | -171.8 | 172.2 | -45.5 | -175.9 | 159.3 | -22.1 | 0 | 0 | 108.1 | ||||
| 1099 | V | 30.3 | Very low | 33.8 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | 80.6 | 143.1 | 168.6 | -175.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1100 | Q | 28.7 | Very low | 33.8 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | cis | -168 | -175.4 | -29.4 | -172.9 | 160.1 | -29.9 | 0 | 0 | 107.4 | ||||
| 1101 | M | 33.4 | Very low | 33.6 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 74 | 152.9 | 174.2 | -40.5 | -50.7 | -161.8 | 0 | 0 | 115.5 | ||||
| 1102 | E | 30.6 | Very low | 33.7 | Very low | 168 Ų | 168 | 147 Ų | 147 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | cis | -154.8 | 173.6 | -40.9 | -152.4 | 169.8 | 126.2 | 0 | 0 | 109.6 | ||||
| 1103 | S | 30.6 | Very low | 34.3 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 0.7 | 136 | 165.2 | 61.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1104 | G | 33.6 | Very low | 34.5 | Very low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -165.9 | 117.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1105 | F | 34.1 | Very low | 34.5 | Very low | 199 Ų | 199 | 138.8 Ų | 138.8 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | trans | -71.5 | 135.2 | -169.7 | -90 | -112.3 | 0 | 0 | 0 | 117.3 | ||||
| 1106 | R | 34.2 | Very low | 33.9 | Very low | 226 Ų | 226 | 140.5 Ų | 140.5 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | 40.1 | 155.4 | 133.3 | -75.9 | -177 | 173.4 | -104.7 | 0.6 | 123.8 | ||||
| 1107 | P | 43 | Very low | 33.7 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -109.2 | 174.2 | -176.8 | 43 | -35.7 | 0 | 0 | 0 | 114.8 | ||||
| 1108 | M | 33 | Very low | 33.3 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 93% | 0.931 | 77% | 0.768 | S | S | * | * | trans | -179.1 | 156.3 | 134.3 | -100.8 | -70.7 | -87 | 0 | 0 | 114.1 | ||||
| 1109 | G | 36.1 | Very low | 34 | Very low | 61 Ų | 61 | 135 Ų | 135 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | trans | 89.1 | 158.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1110 | S | 32.9 | Very low | 34.3 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | cis | 177.6 | 132.8 | -39.5 | 38.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1111 | G | 31.5 | Very low | 34.5 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | trans | 92.1 | 129.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1112 | L | 34.8 | Very low | 34.5 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | 169.1 | 135.4 | 109 | -86.1 | 173 | 0 | 0 | 0 | 111.9 | |||||
| 1113 | P | 42.3 | Very low | 34.6 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | trans | -116.7 | -157.7 | 174.9 | 41.6 | -31 | 0 | 0 | 0 | 113.6 | ||||
| 1114 | L | 33.4 | Very low | 34.8 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 80% | 0.801 | 74% | 0.738 | S | S | * | * | trans | 91.6 | 149.7 | 178.6 | -51.6 | 164.5 | 0 | 0 | 0 | 114.6 | ||||
| 1115 | N | 35.3 | Very low | 34.7 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | cis | -159.1 | 147.1 | -6.5 | -126.6 | -5.2 | 0 | 0 | 0 | 115.4 | ||||
| 1116 | N | 32.8 | Very low | 34.7 | Very low | 136 Ų | 136 | 129 Ų | 129 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | 39.3 | 143.5 | 141.4 | -77.2 | 0.8 | 0 | 0 | 0 | 129.2 | ||||
| 1117 | C | 30.2 | Very low | 34.6 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | trans | 73.2 | 158.8 | 140.6 | -72.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1118 | R | 29.5 | Very low | 34.2 | Very low | 192 Ų | 192 | 124.2 Ų | 124.2 | 73% | 0.725 | 73% | 0.728 | S | S | * | * | cis | -173.6 | 158.2 | -15.7 | 171.2 | -179.9 | -177.6 | -173.5 | 2.9 | 110.2 | S1191 | R1118-S1191 CarbonylContact C-O 3.59Š| ||
| 1119 | M | 43.8 | Very low | 34.2 | Very low | 82 Ų | 82 | 119.3 Ų | 119.3 | 40% | 0.404 | 73% | 0.726 | S | S | . | * | B | Isolated β-bridge | trans | -148.8 | 176.2 | 171.7 | 98.1 | -173.1 | 171.9 | 0 | 0 | 115 | S1191 T1192 | M1119-S1191 VanDerWaalsContact CG-C 3.42Å; M1119-S1191 PolarHBondContact N-O 2.78Å; M1119-S1191 PolarHBondContact SD-N 3.14Å; M1119-T1192 VanDerWaalsContact CE-OG1 3.27Å; M1119-T1192 WeakPolarHBondContact CE-OG1 3.49Å; M1119-T1192 VanDerWaalsContact CG-OG1 3.29Å; M1119-T1192 WeakPolarHBondContact CG-OG1 3.24Å; M1119-T1192 WeakPolarHBondContact O-CG2 3.09Å |
| 1120 | P | 36.3 | Very low | 34.1 | Very low | 107 Ų | 107 | 121.3 Ų | 121.3 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | trans | -134.7 | -158 | 154.1 | 40.9 | -24.9 | 0 | 0 | 0 | 113.8 | ||||
| 1121 | M | 33.8 | Very low | 34.2 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 63% | 0.626 | 72% | 0.722 | S | S | * | * | -157 | 173.2 | -77 | -88.6 | -52.6 | -67.4 | 0 | 0 | 111.7 | T1192 | M1121-T1192 HydrophobicContact CG-CG2 3.95Å; M1121-T1192 HydrophobicContact SD-CG2 3.82Å | |||
| 1122 | N | 33.5 | Very low | 35 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | 74.6 | 157.9 | 165 | -65.9 | 16 | 0 | 0 | 0 | 119.2 | ||||
| 1123 | N | 32.8 | Very low | 35 | Very low | 131 Ų | 131 | 113.9 Ų | 113.9 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | cis | -170.7 | -174.4 | -36.1 | -106.6 | 37.2 | 0 | 0 | 0 | 107.6 | ||||
| 1124 | D | 33.5 | Very low | 34.6 | Very low | 121 Ų | 121 | 115.4 Ų | 115.4 | 65% | 0.647 | 69% | 0.687 | S | S | * | * | cis | -163.4 | 171.8 | 8.3 | -144.6 | -74.1 | 0 | 0 | 0 | 113.1 | ||||
| 1125 | S | 32.9 | Very low | 34.6 | Very low | 99 Ų | 99 | 111.8 Ų | 111.8 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | trans | 63.3 | 172.8 | 149.2 | -75.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1126 | V | 32.9 | Very low | 34.5 | Very low | 124 Ų | 124 | 110.4 Ų | 110.4 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | cis | -177.9 | 155 | -16.4 | 138.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1127 | L | 33.2 | Very low | 34.5 | Very low | 169 Ų | 169 | 112 Ų | 112 | 89% | 0.885 | 70% | 0.7 | S | S | * | * | cis | -161 | -178.9 | -16 | -98 | 172.3 | 0 | 0 | 0 | 106.6 | ||||
| 1128 | G | 33.3 | Very low | 34.6 | Very low | 71 Ų | 71 | 113.1 Ų | 113.1 | 73% | 0.732 | 71% | 0.709 | S | S | * | * | cis | 154.6 | 124.4 | -9.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1129 | G | 33.8 | Very low | 34.9 | Very low | 86 Ų | 86 | 107.6 Ų | 107.6 | 89% | 0.887 | 71% | 0.712 | S | S | * | * | trans | 100.5 | 153.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1130 | A | 33.1 | Very low | 34.5 | Very low | 102 Ų | 102 | 107.4 Ų | 107.4 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | cis | -161.7 | 177.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1131 | N | 35.7 | Very low | 34.3 | Very low | 107 Ų | 107 | 108.6 Ų | 108.6 | 57% | 0.572 | 74% | 0.742 | S | S | * | * | trans | -150.7 | -158.3 | -175 | -146 | -0.2 | 0 | 0 | 0 | 111.5 | ||||
| 1132 | P | 48.3 | Very low | 34.2 | Very low | 67 Ų | 67 | 106.5 Ų | 106.5 | 44% | 0.435 | 75% | 0.745 | S | S | . | * | cis | -142.9 | -163.4 | -1.1 | 45.4 | -22.9 | 0 | 0 | 0 | 118.6 | V179 | V179-P1132 WeakPolarHBondContact O-CA 3.39Å; V179-P1132 VanDerWaalsContact O-CB 3.24Å; V179-P1132 WeakPolarHBondContact O-CB 3.13Å | ||
| 1133 | A | 35.2 | Very low | 34 | Very low | 41 Ų | 41 | 107.8 Ų | 107.8 | 34% | 0.339 | 75% | 0.748 | S | S | . | * | trans | 71.5 | 174.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | V179 N180 | V179-A1133 PolarHBondContact O-N 2.95Å; V179-A1133 VanDerWaalsContact O-N 3.1Å; N180-A1133 PolarHBondContact ND2-N 2.81Å; N180-A1133 VanDerWaalsContact ND2-N 3.14Å; N180-A1133 PolarHBondContact ND2-O 3.07Å | ||
| 1134 | T | 33.9 | Very low | 33.9 | Very low | 140 Ų | 140 | 110.7 Ų | 110.7 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | cis | -161.6 | 150.7 | 12 | -34 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1135 | G | 33.3 | Very low | 33.6 | Very low | 78 Ų | 78 | 112.3 Ų | 112.3 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 74.9 | 160.8 | 153.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1136 | A | 32.6 | Very low | 33.4 | Very low | 97 Ų | 97 | 116.8 Ų | 116.8 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | cis | -174.1 | -177.1 | -25.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1137 | I | 32.8 | Very low | 33.1 | Very low | 170 Ų | 170 | 122.5 Ų | 122.5 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | cis | -149 | 169.5 | 8.2 | -53.8 | 171.5 | 0 | 0 | 0 | 110.7 | ||||
| 1138 | S | 32.9 | Very low | 33 | Very low | 125 Ų | 125 | 120.5 Ų | 120.5 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -44.2 | 162.2 | 176.8 | -160.8 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 1139 | G | 35.4 | Very low | 32.8 | Very low | 77 Ų | 77 | 124.6 Ų | 124.6 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 146.4 | 151.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1140 | G | 34.8 | Very low | 32.7 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | cis | 161.9 | 121.5 | -18.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1141 | S | 32.9 | Very low | 32.5 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 92% | 0.923 | 77% | 0.773 | S | S | * | * | trans | 63.4 | 159 | 160.4 | -73.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1142 | A | 31.8 | Very low | 32.4 | Very low | 84 Ų | 84 | 132 Ų | 132 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | cis | -171.3 | 175.9 | -20.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1143 | M | 29.2 | Very low | 31.5 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 91.6 | 120.9 | 149.4 | -69.8 | -149.2 | 173.4 | 0 | 0 | 126.2 | ||||
| 1144 | Y | 29.7 | Very low | 31.4 | Very low | 191 Ų | 191 | 139.7 Ų | 139.7 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | trans | 96 | 160.5 | 131.8 | -92.5 | -105.9 | 0 | 0 | 0 | 125.6 | ||||
| 1145 | M | 28.1 | Very low | 31.3 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 77% | 0.768 | 81% | 0.812 | S | S | * | * | trans | -95.9 | 175.1 | -155.6 | -42.1 | 178.3 | -170.7 | 0 | 0 | 113.4 | ||||
| 1146 | Q | 29.5 | Very low | 31.3 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | -172.9 | 164.7 | 62.4 | -173.8 | 165.5 | -12.4 | 0 | 0 | 112.9 | |||||
| 1147 | W | 24.7 | Very low | 31.2 | Very low | 244 Ų | 244 | 147.5 Ų | 147.5 | 92% | 0.924 | 82% | 0.818 | S | S | * | * | trans | -72.8 | 156.9 | -178.8 | -73.5 | -33.5 | 0 | 0 | 0 | 116.4 | ||||
| 1148 | S | 31.2 | Very low | 31.2 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | -162.7 | 145 | 126.1 | -82.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1149 | N | 29.1 | Very low | 31.2 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -82.7 | 154 | 168 | -87.1 | -31.9 | 0 | 0 | 0 | 110.8 | ||||
| 1150 | N | 32.2 | Very low | 31.6 | Very low | 164 Ų | 164 | 148 Ų | 148 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -160 | 144.7 | 135 | -107 | -36.9 | 0 | 0 | 0 | 112.4 | ||||
| 1151 | N | 28.4 | Very low | 31.5 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -132.6 | 121.1 | 179.2 | 170.2 | 23.5 | 0 | 0 | 0 | 108.3 | ||||
| 1152 | I | 34 | Very low | 31.2 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -137 | 116.5 | 172 | -60.6 | -178.5 | 0 | 0 | 0 | 109.1 | ||||
| 1153 | N | 30.3 | Very low | 31 | Very low | 122 Ų | 122 | 152.5 Ų | 152.5 | 65% | 0.652 | 80% | 0.802 | S | S | * | * | trans | -82.1 | 144.7 | 162.2 | -69.6 | -39.3 | 0 | 0 | 0 | 109.3 | ||||
| 1154 | N | 32.8 | Very low | 31 | Very low | 149 Ų | 149 | 150.5 Ų | 150.5 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | -177.1 | 151.1 | 106.1 | -94 | -26.3 | 0 | 0 | 0 | 115 | |||||
| 1155 | N | 30.7 | Very low | 31.3 | Very low | 148 Ų | 148 | 147.9 Ų | 147.9 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -27.4 | 139.3 | 171.4 | -51.6 | -32.5 | 0 | 0 | 0 | 118.1 | ||||
| 1156 | Q | 34.3 | Very low | 31.7 | Very low | 200 Ų | 200 | 146.2 Ų | 146.2 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | -149.3 | 156.8 | 124.2 | -116.3 | -177.5 | 37.3 | 0 | 0 | 113.1 | |||||
| 1157 | T | 30.9 | Very low | 31.7 | Very low | 130 Ų | 130 | 144 Ų | 144 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | -77 | 144.4 | -168.7 | -49.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1158 | T | 33.4 | Very low | 31.8 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -170.3 | 127.1 | 142.6 | -83 | 0 | 0 | 0 | 0 | 114 | ||||
| 1159 | I | 32.5 | Very low | 31.8 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | 24 | 132.5 | 147 | -51.3 | 176.3 | 0 | 0 | 0 | 120.7 | ||||
| 1160 | P | 43.7 | Very low | 31.9 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -94.1 | 154.3 | 177.9 | 37.8 | -36.1 | 0 | 0 | 0 | 116.1 | ||||
| 1161 | P | 33.2 | Very low | 32 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | trans | -119.4 | 131.6 | 144.3 | 17.9 | 1.5 | 0 | 0 | 0 | 110.8 | ||||
| 1162 | L | 26.6 | Very low | 32 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | 55.2 | 106.6 | 82.7 | -72.8 | 172.2 | 0 | 0 | 0 | 115.4 | |||||
| 1163 | S | 27.8 | Very low | 31.8 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 45.6 | 120 | 141.8 | 176.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1164 | C | 27.3 | Very low | 31.8 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | -164.5 | 146.4 | 115.6 | -111.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1165 | N | 37.1 | Very low | 31.6 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -114.1 | 130 | 164.6 | 164.7 | 15.2 | 0 | 0 | 0 | 107 | N1167 | N1165-N1167 PolarHBondContact OD1-N 3.1Å; N1165-N1167 VanDerWaalsContact OD1-N 3.16Å | ||
| 1166 | P | 36.7 | Very low | 31.5 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -127.9 | 97 | 158.8 | 34.1 | -18.8 | 0 | 0 | 0 | 111.9 | ||||
| 1167 | N | 27.9 | Very low | 31.2 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -82.7 | 153.8 | 147.1 | -119.5 | -46.4 | 0 | 0 | 0 | 108.9 | N1165 | N1165-N1167 PolarHBondContact OD1-N 3.1Å; N1165-N1167 VanDerWaalsContact OD1-N 3.16Å | ||
| 1168 | A | 28.4 | Very low | 31 | Very low | 82 Ų | 82 | 132.8 Ų | 132.8 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | trans | 70.5 | 115.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1169 | F | 31.5 | Very low | 30.6 | Very low | 211 Ų | 211 | 135.3 Ų | 135.3 | 93% | 0.925 | 76% | 0.759 | S | S | * | * | trans | -121.9 | 132.6 | 132.3 | -115.3 | -89.3 | 0 | 0 | 0 | 108.3 | ||||
| 1170 | M | 31.1 | Very low | 30.3 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 80% | 0.803 | 76% | 0.761 | S | S | * | * | trans | -102 | 151.3 | 170.3 | -77.1 | 176.4 | 54.8 | 0 | 0 | 109.8 | ||||
| 1171 | L | 33.6 | Very low | 30.1 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | -176.4 | 107.8 | 140.1 | -93.9 | 158.8 | 0 | 0 | 0 | 105.7 | ||||
| 1172 | N | 28.6 | Very low | 30.1 | Very low | 138 Ų | 138 | 140 Ų | 140 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | 59.7 | 113.4 | 81.4 | -157.9 | 26.3 | 0 | 0 | 0 | 111.1 | |||||
| 1173 | S | 29.5 | Very low | 30 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | -178.5 | 176 | 57.6 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1174 | G | 30.7 | Very low | 30.3 | Very low | 64 Ų | 64 | 144.8 Ų | 144.8 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | 100.1 | 113.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1175 | Q | 28.2 | Very low | 30.8 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | 58.9 | 116.5 | 63.7 | -59.5 | -73.9 | -6.6 | 0 | 0 | 111.3 | |||||
| 1176 | M | 27.7 | Very low | 30.8 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | cis | -150.2 | 154.4 | 29.6 | -75.8 | -158.9 | -173.2 | 0 | 0 | 115.1 | ||||
| 1177 | K | 28.5 | Very low | 30.5 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | 38.8 | 141.6 | 127.7 | -53.9 | 172.8 | -169.6 | 163 | 0 | 120.3 | |||||
| 1178 | T | 27 | Very low | 30.5 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | cis | -169.5 | 166.9 | -7.5 | 23.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1179 | F | 24.8 | Very low | 30.7 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | 8.7 | 137.9 | 141.8 | -63.3 | -103.8 | 0 | 0 | 0 | 117.8 | ||||
| 1180 | N | 27.1 | Very low | 30.7 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | cis | -165.1 | 152.9 | 49.1 | -132.4 | -15.6 | 0 | 0 | 0 | 116 | ||||
| 1181 | R | 38.8 | Very low | 30.9 | Very low | 223 Ų | 223 | 137.8 Ų | 137.8 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | trans | -72.4 | 165.2 | 148.4 | -101.9 | 179.4 | 170.7 | -136.4 | -0.7 | 108.3 | ||||
| 1182 | P | 32.3 | Very low | 30.9 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | cis | -159.3 | -165.1 | 49.3 | 41.8 | -17.2 | 0 | 0 | 0 | 117.9 | ||||
| 1183 | M | 25.1 | Very low | 31.1 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 87% | 0.867 | 70% | 0.702 | S | S | * | * | trans | 74.2 | 114.2 | 142.4 | -84.5 | 162.6 | -176.9 | 0 | 0 | 123.4 | ||||
| 1184 | F | 34 | Very low | 31.5 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | trans | -52.4 | 169.3 | 135.4 | -63.6 | -94.1 | 0 | 0 | 0 | 111.9 | ||||
| 1185 | P | 38.3 | Very low | 32 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 71% | 0.708 | S | S | * | * | cis | -133.4 | -147.2 | 15.1 | 42.2 | -20.2 | 0 | 0 | 0 | 110.9 | ||||
| 1186 | P | 37.8 | Very low | 32.7 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | cis | -133.3 | -163.9 | -9.6 | 41.4 | -20.9 | 0 | 0 | 0 | 116.1 | ||||
| 1187 | R | 29.4 | Very low | 34.2 | Very low | 232 Ų | 232 | 131.3 Ų | 131.3 | 88% | 0.875 | 72% | 0.715 | S | S | * | * | trans | -52.9 | 164.8 | 170.8 | -64.9 | 172.7 | 166.9 | 176.7 | -6.3 | 113 | ||||
| 1188 | V | 29.2 | Very low | 35.1 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | -164.9 | 137.1 | 65.5 | 161.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1189 | V | 32 | Very low | 36.1 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | trans | 26.2 | 136.7 | 141.8 | -173.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1190 | G | 31.2 | Very low | 38 | Very low | 50 Ų | 50 | 125.9 Ų | 125.9 | 52% | 0.515 | 72% | 0.724 | S | S | . | * | cis | -152 | -147.7 | 35 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1191 | S | 35 | Very low | 39 | Very low | 63 Ų | 63 | 125.1 Ų | 125.1 | 44% | 0.441 | 73% | 0.727 | S | S | . | * | trans | -150.6 | 120 | -145.6 | 45.5 | 0 | 0 | 0 | 0 | 116.2 | R1118 M1119 | R1118-S1191 CarbonylContact C-O 3.59Å; M1119-S1191 VanDerWaalsContact CG-C 3.42Å; M1119-S1191 PolarHBondContact N-O 2.78Å; M1119-S1191 PolarHBondContact SD-N 3.14Å | ||
| 1192 | T | 34.5 | Very low | 39 | Very low | 56 Ų | 56 | 123.2 Ų | 123.2 | 34% | 0.344 | 73% | 0.732 | S | S | . | * | B | Isolated β-bridge | trans | -86.6 | 138 | 175.5 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | M1119 M1121 | M1119-T1192 VanDerWaalsContact CE-OG1 3.27Å; M1119-T1192 WeakPolarHBondContact CE-OG1 3.49Å; M1119-T1192 VanDerWaalsContact CG-OG1 3.29Å; M1119-T1192 WeakPolarHBondContact CG-OG1 3.24Å; M1119-T1192 WeakPolarHBondContact O-CG2 3.09Å; M1121-T1192 HydrophobicContact CG-CG2 3.95Å; M1121-T1192 HydrophobicContact SD-CG2 3.82Å |
| 1193 | T | 33 | Very low | 39.4 | Very low | 74 Ų | 74 | 122.1 Ų | 122.1 | 45% | 0.454 | 74% | 0.739 | S | S | . | * | trans | -109.7 | 132.5 | 176 | -48.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1194 | V | 36.6 | Very low | 40 | Very low | 137 Ų | 137 | 117.6 Ų | 117.6 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | trans | -123.2 | 143.2 | 158 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1195 | T | 41.4 | Very low | 40.2 | Very low | 119 Ų | 119 | 112.5 Ų | 112.5 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 156 | -161.9 | 39.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1196 | P | 42.5 | Very low | 40.1 | Very low | 115 Ų | 115 | 110.9 Ų | 110.9 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 155.6 | 175.8 | 35.1 | -35.9 | 0 | 0 | 0 | 112.9 | ||
| 1197 | P | 59.6 | Low | 40.2 | Very low | 131 Ų | 131 | 112 Ų | 112 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 161.2 | 165.6 | 32.5 | -33.8 | 0 | 0 | 0 | 112.5 | ||
| 1198 | A | 47.7 | Very low | 40.5 | Very low | 91 Ų | 91 | 107.5 Ų | 107.5 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 162.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1199 | P | 47.1 | Very low | 40.8 | Very low | 117 Ų | 117 | 104.9 Ų | 104.9 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 151.3 | 174.6 | 33.4 | -35.7 | 0 | 0 | 0 | 113.2 | ||
| 1200 | P | 66.3 | Low | 41.1 | Very low | 121 Ų | 121 | 106.2 Ų | 106.2 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 160.4 | 172.4 | 30.8 | -34.5 | 0 | 0 | 0 | 113.1 | ||
| 1201 | P | 47.3 | Very low | 41.3 | Very low | 130 Ų | 130 | 108.9 Ų | 108.9 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 173.2 | -162.2 | 36 | -38.2 | 0 | 0 | 0 | 116.2 | ||
| 1202 | L | 38.3 | Very low | 41.3 | Very low | 182 Ų | 182 | 115.9 Ų | 115.9 | 95% | 0.953 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 138.7 | 179.2 | -75.8 | 161.8 | 0 | 0 | 0 | 113.7 | ||
| 1203 | G | 40.5 | Very low | 41.4 | Very low | 80 Ų | 80 | 122.4 Ų | 122.4 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 155.9 | 134.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1204 | G | 38.3 | Very low | 41.4 | Very low | 82 Ų | 82 | 126.5 Ų | 126.5 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | cis | 176.6 | 131.5 | -9.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1205 | G | 37.6 | Very low | 41.4 | Very low | 89 Ų | 89 | 129.9 Ų | 129.9 | 92% | 0.918 | 80% | 0.803 | S | S | * | * | trans | 88.3 | 139.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1206 | G | 36.5 | Very low | 41 | Very low | 81 Ų | 81 | 130.5 Ų | 130.5 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 146.5 | 82 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1207 | V | 39.4 | Very low | 40.5 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -62 | 156.4 | 168.1 | -123.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1208 | V | 37.5 | Very low | 39.4 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | cis | -151.9 | 141.5 | 21.4 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1209 | G | 34.9 | Very low | 38.7 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | 55.5 | 170.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1210 | L | 37.1 | Very low | 38.1 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | cis | -159 | 132.9 | -24 | -117.9 | 177.9 | 0 | 0 | 0 | 108 | ||||
| 1211 | P | 36 | Very low | 36.6 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | trans | -109.3 | 150.7 | -172.6 | 38.1 | -31.7 | 0 | 0 | 0 | 114.8 | ||||
| 1212 | F | 35.8 | Very low | 36.2 | Very low | 211 Ų | 211 | 139.1 Ų | 139.1 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -145.2 | 178.1 | 162.4 | -106.3 | -72.6 | 0 | 0 | 0 | 115.2 | ||||
| 1213 | R | 35.2 | Very low | 36.3 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 73% | 0.725 | 81% | 0.806 | S | S | * | * | trans | -145.7 | 149.6 | -153.6 | -97.8 | -171.5 | 170.7 | -165.4 | 2.5 | 114.7 | ||||
| 1214 | Y | 33.5 | Very low | 36.1 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 63% | 0.627 | 80% | 0.801 | S | S | * | * | trans | 81.9 | 130.4 | 137.1 | -86.1 | -146.7 | 0 | 0 | 0 | 122.9 | ||||
| 1215 | R | 35.9 | Very low | 35.5 | Very low | 209 Ų | 209 | 147.7 Ų | 147.7 | 79% | 0.789 | 82% | 0.819 | S | S | * | * | trans | 74.4 | 108.7 | 135.5 | -72.6 | -178 | 175.9 | 172.2 | -1.4 | 122.7 | ||||
| 1216 | N | 34.2 | Very low | 35.4 | Very low | 131 Ų | 131 | 150.7 Ų | 150.7 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | 23.7 | 125.7 | 113.5 | -57.9 | 2.6 | 0 | 0 | 0 | 119.9 | |||||
| 1217 | F | 32.6 | Very low | 35.4 | Very low | 182 Ų | 182 | 154.3 Ų | 154.3 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | 165.8 | 141.1 | 86.2 | -110.4 | -58.3 | 0 | 0 | 0 | 114.4 | |||||
| 1218 | S | 35 | Very low | 35.2 | Very low | 92 Ų | 92 | 155.1 Ų | 155.1 | 64% | 0.643 | 81% | 0.811 | S | S | * | * | trans | 65.4 | 126 | 143.3 | -67.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1219 | R | 34.5 | Very low | 35 | Very low | 245 Ų | 245 | 156.2 Ų | 156.2 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | 49.3 | 110.3 | 139.5 | -64.2 | -178.5 | 166.8 | -155.5 | -4.5 | 117.6 | ||||
| 1220 | G | 34.4 | Very low | 35 | Very low | 84 Ų | 84 | 161.6 Ų | 161.6 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | cis | 103.2 | 127.8 | 41 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1221 | G | 34.1 | Very low | 34.9 | Very low | 79 Ų | 79 | 161.3 Ų | 161.3 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | 163.6 | 93 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1222 | F | 39.2 | Very low | 34.8 | Very low | 205 Ų | 205 | 165.3 Ų | 165.3 | 90% | 0.899 | 82% | 0.821 | S | S | * | * | trans | -63.4 | 149.8 | 152.8 | -92.6 | -85.1 | 0 | 0 | 0 | 109 | ||||
| 1223 | P | 39.8 | Very low | 34.7 | Very low | 130 Ų | 130 | 161.8 Ų | 161.8 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | -138.7 | 172.9 | 64.9 | 38.9 | -22.5 | 0 | 0 | 0 | 115.3 | |||||
| 1224 | G | 35.9 | Very low | 34.7 | Very low | 70 Ų | 70 | 159.3 Ų | 159.3 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | -168.7 | -32 | 177.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1225 | R | 27.2 | Very low | 34.8 | Very low | 324 Ų | 324 | 159.2 Ų | 159.2 | 100% | 1.223 | 84% | 0.838 | S | S | * | * | trans | -158.4 | 0 | 166.5 | -107.3 | 179 | -166.5 | -117.1 | 2 | 109.5 |
Retrieved 1,225 of 1,225 residues in 794.6 ms
(Link to these results)